# This file contains OPLSAA parameters and rules for creating angle, dihedral, # and improper interactions according to OPLSAA conventions, taken from # "OPLS All-Atom Parameters for Organic Molecules, Ions, # Peptides & Nucleic Acids, July 2008" and distributed with BOSS Version 4.8. # This file was generated automatically using this script: # # tinkerparm2lt.py -name OPLSAA -file oplsaa.prm -dihedral-style opls -zeropad 3 # # The "oplsaa.prm" file was downloaded on 2021-8-31 from the TINKER github page: # # https://github.com/TinkerTools/tinker/blob/release/params/oplsaa.prm # # (Corrections to impropers were added by David Huang (adelaide.edu.au)) # (Additional conversion details are explained at the end of this file.) # Urey-Bradley parameters are not included, and a quadratic energy function # is used (rather than a cosine) for the improper interactions (in order # to take advantage of available GPU acceleration in LAMMPS at this time). # # USAGE: You can create molecules using this force-field this way: # # MyMolecule inherits OPLSAA { # # atom-id mol-id atom-type charge X Y Z # write('Data Atoms') { # $atom:C1 $mol @atom:88 0.00 -0.6695 0.000000 0.000000 # $atom:H11 $mol @atom:89 0.00 -1.234217 -0.854458 0.000000 # : : : : : : # } # } # # You can omit the atom charge in your molecule definition. # (Partial charges will be assigned later according to the force field rules.) # Responsibility for choosing the atom types (eg "@atom:88", "@atom:89") falls # on the user. You must select the type of each atom in the molecule carefully # by looking at the description in the "In Charges" section of this file # (see below), and looking for a reasonable match. If your simulation is # non-neutral, or moltemplate complains that you have missing bond, angle, or # dihedral types, this means at least one of your atom types is incorrect. OPLSAA { # Below we will use lammps "set" command to assign atom charges # by atom type. http://lammps.sandia.gov/doc/set.html write_once("In Charges") { #--------------------- IMPORTANT ----------------------- # The first 56 atom types (excluding 48,49) are not intended for use in an # ordinary (all-atom) simulation. Instead, these atoms were intended for # use with "United Atom" molecules which lack hydrogen atoms. # (They belong to the OPLSUA force field, not the OPLSAA force field.) #-------------------------------------------------------- set type @atom:1 charge -0.22 # "Fluoride -CH2-F (UA)" DON'T USE(OPLSUA) set type @atom:2 charge 0.22 # "Fluoride -CH2-F (UA)" DON'T USE(OPLSUA) set type @atom:3 charge 0.55 # "Acetic Acid -COOH (UA)" DON'T USE(OPLSUA) set type @atom:4 charge -0.5 # "Acetic Acid >C=O (UA)" DON'T USE(OPLSUA) set type @atom:5 charge -0.58 # "Acetic Acid -OH (UA)" DON'T USE(OPLSUA) set type @atom:6 charge 0.08 # "Acetic Acid CH3- (UA)" DON'T USE(OPLSUA) set type @atom:7 charge 0.45 # "Acetic Acid -OH (UA)" DON'T USE(OPLSUA) set type @atom:8 charge 0.0 # "Methane CH4 (UA)" DON'T USE(OPLSUA) set type @atom:9 charge 0.0 # "Ethane CH3- (UA)" DON'T USE(OPLSUA) set type @atom:10 charge 0.0 # "N-Alkane CH3- (UA)" DON'T USE(OPLSUA) set type @atom:11 charge 0.0 # "Isobutane CH3- (UA)" DON'T USE(OPLSUA) set type @atom:12 charge 0.0 # "Neopentane CH3- (UA)" DON'T USE(OPLSUA) set type @atom:13 charge 0.0 # "Alkanes -CH2- (UA)" DON'T USE(OPLSUA) set type @atom:14 charge 0.0 # "1-Alkene CH2= (UA)" DON'T USE(OPLSUA) set type @atom:15 charge 0.0 # "Isobutane CH (UA)" DON'T USE(OPLSUA) set type @atom:16 charge 0.0 # "2-Alkene -CH= (UA)" DON'T USE(OPLSUA) set type @atom:17 charge 0.0 # "Aromatic CH (UA)" DON'T USE(OPLSUA) set type @atom:18 charge 0.0 # "Neopentane C (UA)" DON'T USE(OPLSUA) set type @atom:19 charge 0.0 # "Isobutene >C= (UA)" DON'T USE(OPLSUA) set type @atom:20 charge -0.7 # "Alcohol OH (UA)" DON'T USE(OPLSUA) set type @atom:21 charge 0.435 # "Alcohol OH (UA)" DON'T USE(OPLSUA) set type @atom:22 charge 0.265 # "Methanol CH3- (UA)" DON'T USE(OPLSUA) set type @atom:23 charge 0.265 # "Ethanol -CH2OH (UA)" DON'T USE(OPLSUA) set type @atom:24 charge -0.47 # "Hydrogen Sulfide H2S" DON'T USE(OPLSUA) set type @atom:25 charge -0.45 # "Alkyl Sulfide RSH (UA)" DON'T USE(OPLSUA) set type @atom:26 charge -0.47 # "Thioether RSR (UA)" DON'T USE(OPLSUA) set type @atom:27 charge -0.3 # "Disulfide RSSR (UA)" DON'T USE(OPLSUA) set type @atom:28 charge 0.235 # "Hydrogen Sulfide H2S" DON'T USE(OPLSUA) set type @atom:29 charge 0.27 # "Alkyl Sulfide RSH (UA)" DON'T USE(OPLSUA) set type @atom:30 charge 0.18 # "Methyl Sulfide CH3 (UA)" DON'T USE(OPLSUA) set type @atom:31 charge 0.18 # "Alkyl Sulfide CH2 (UA)" DON'T USE(OPLSUA) set type @atom:32 charge 0.235 # "Thioether CH3 (UA)" DON'T USE(OPLSUA) set type @atom:33 charge 0.235 # "Thioether CH2 (UA)" DON'T USE(OPLSUA) set type @atom:34 charge 0.3 # "Disulfide CH3 (UA)" DON'T USE(OPLSUA) set type @atom:35 charge 0.3 # "Disulfide CH2 (UA)" DON'T USE(OPLSUA) set type @atom:36 charge -0.43 # "Acetonitrile -CN (UA)" DON'T USE(OPLSUA) set type @atom:37 charge 0.28 # "Acetonitrile -CN (UA)" DON'T USE(OPLSUA) set type @atom:38 charge 0.15 # "Acetonitrile CH3 (UA)" DON'T USE(OPLSUA) set type @atom:39 charge 0.265 # "Isopropanol >CHOH (UA)" DON'T USE(OPLSUA) set type @atom:40 charge 0.265 # "t-Butanol COH (UA)" DON'T USE(OPLSUA) set type @atom:41 charge -0.5 # "Ether ROR (UA)" DON'T USE(OPLSUA) set type @atom:42 charge 0.25 # "Ether CH3-OR (UA)" DON'T USE(OPLSUA) set type @atom:43 charge 0.25 # "Ether -CH2-OR (UA)" DON'T USE(OPLSUA) set type @atom:44 charge 0.5 # "Methylene Chloride (UA)" DON'T USE(OPLSUA) set type @atom:45 charge -0.25 # "Methylene Chloride (UA)"DON'T USE(OPLSUA) set type @atom:46 charge 0.42 # "Chloroform CHCl3 (UA)" DON'T USE(OPLSUA) set type @atom:47 charge -0.14 # "Chloroform CHCl3 (UA)" DON'T USE(OPLSUA) set type @atom:48 charge 0.248 # "Carbon Tetrachloride" set type @atom:49 charge -0.062 # "Carbon Tetrachloride" set type @atom:50 charge 0.139 # "DMSO >S=O (UA)" DON'T USE(OPLSUA) set type @atom:51 charge -0.459 # "DMSO >S=O (UA)" DON'T USE(OPLSUA) set type @atom:52 charge 0.16 # "DMSO CH3- (UA)" DON'T USE(OPLSUA) set type @atom:53 charge -0.5 # "DMF C=O (UA)" DON'T USE(OPLSUA) set type @atom:54 charge -0.57 # "DMF CON< (UA)" DON'T USE(OPLSUA) set type @atom:55 charge 0.5 # "DMF C=O (UA)" DON'T USE(OPLSUA) set type @atom:56 charge 0.285 # "DMF CH3- (UA)" DON'T USE(OPLSUA) #-------------------------------------------------------- # ORDINARY (OPLSAA) ATOM TYPES BEGIN HERE: # Do not use the "UA" atom types above this line in an all-atom simulation. #-------------------------------------------------------- set type @atom:57 charge 0.0 # "Dummy Atom" set type @atom:58 charge 0.0 # "Helium Atom" set type @atom:59 charge 0.0 # "Neon Atom" set type @atom:60 charge 0.0 # "Argon Atom" set type @atom:61 charge 0.0 # "Krypton Atom" set type @atom:62 charge 0.0 # "Xenon Atom" set type @atom:63 charge -0.834 # "TIP3P Water O" set type @atom:64 charge 0.417 # "TIP3P Water H" set type @atom:65 charge 0.0 # "TIP4P Water O" set type @atom:66 charge 0.52 # "TIP4P Water H" set type @atom:67 charge -1.04 # "TIP4P Water M" set type @atom:68 charge -0.822 # "TIP3F Water O" set type @atom:69 charge 0.411 # "TIP3F Water H" set type @atom:70 charge 0.0 # "TIP4F Water O" set type @atom:71 charge 0.511 # "TIP4F Water H" set type @atom:72 charge -1.022 # "TIP4F Water M" set type @atom:73 charge 0.0 # "TIP5P Water O" set type @atom:74 charge 0.241 # "TIP5P Water H" set type @atom:75 charge -0.241 # "TIP5P Water LP" set type @atom:76 charge -0.82 # "SPC Water O" set type @atom:77 charge 0.41 # "SPC Water H" set type @atom:78 charge -1.02 # "Ammonia NH3" set type @atom:79 charge 0.34 # "Ammonia NH3" set type @atom:80 charge -0.18 # "Alkane CH3-" set type @atom:81 charge -0.12 # "Alkane -CH2-" set type @atom:82 charge -0.06 # "Alkane >CH-" set type @atom:83 charge -0.24 # "Methane CH4" set type @atom:84 charge 0.0 # "Alkane >C<" set type @atom:85 charge 0.06 # "Alkane H-C" set type @atom:86 charge 0.0 # "Alkene R2-C=" set type @atom:87 charge -0.115 # "Alkene RH-C=" set type @atom:88 charge -0.23 # "Alkene H2-C=" set type @atom:89 charge 0.115 # "Alkene H-C=" set type @atom:90 charge -0.115 # "Aromatic C" set type @atom:91 charge 0.115 # "Aromatic H-C" set type @atom:92 charge 0.0 # "Naphthalene Fusion C" set type @atom:93 charge -0.065 # "Ethyl Benzene CH3-" set type @atom:94 charge -0.005 # "Ethyl Benzene -CH2-" set type @atom:95 charge -0.115 # "Diene =CH-CH=" set type @atom:96 charge -0.683 # "Alcohol -OH" set type @atom:97 charge 0.418 # "Alcohol -OH" set type @atom:98 charge 0.04 # "Methanol CH3-" set type @atom:99 charge 0.145 # "Alcohol CH3OH & RCH2OH" set type @atom:100 charge 0.205 # "Alcohol R2CHOH" set type @atom:101 charge 0.265 # "Alcohol R3COH" set type @atom:102 charge 0.1263 # "Trifluoroethanol -CH2-" set type @atom:103 charge 0.5323 # "Trifluoroethanol CF3-" set type @atom:104 charge -0.6351 # "Trifluoroethanol -OH" set type @atom:105 charge 0.4286 # "Trifluoroethanol -OH" set type @atom:106 charge -0.2057 # "Trifluoroethanol F" set type @atom:107 charge 0.0825 # "Trifluoroethanol -CH2-" set type @atom:108 charge 0.15 # "Phenol C-OH" set type @atom:109 charge -0.585 # "Phenol -OH" set type @atom:110 charge 0.435 # "Phenol -OH" set type @atom:111 charge -0.7 # "Diol -OH" set type @atom:112 charge 0.435 # "Diol -OH" set type @atom:113 charge -0.73 # "Triol -OH" set type @atom:114 charge 0.465 # "Triol -OH" set type @atom:115 charge 0.145 # "Diol & Triol -CH2OH" set type @atom:116 charge 0.205 # "Diol & Triol -CHROH" set type @atom:117 charge 0.265 # "Diol & Triol -CR2OH" set type @atom:118 charge 0.06 # "Diol & Triol H-COH" set type @atom:119 charge -0.17 # "Diphenyl Ether" set type @atom:120 charge 0.0 # "Diene =CR-CR=" set type @atom:121 charge -0.285 # "Anisole -OCH3" set type @atom:122 charge -0.4 # "Dialkyl Ether -O-" set type @atom:123 charge 0.11 # "Methyl Ether CH3OR" set type @atom:124 charge 0.14 # "Ethyl Ether -CH2OR" set type @atom:125 charge 0.17 # "Isopropyl Ether >CHOR" set type @atom:126 charge 0.2 # "t-Butyl Ether COR" set type @atom:127 charge 0.03 # "Alkyl Ether H-COR" set type @atom:128 charge -0.4 # "Acetal RO-CR2OX" set type @atom:129 charge -0.7 # "Hemiacetal -OH" set type @atom:130 charge 0.435 # "Hemiacetal -OH" set type @atom:131 charge 0.2 # "Acetal RO-CH2-OR" set type @atom:132 charge 0.1 # "Acetal RO-CH2-OR" set type @atom:133 charge 0.265 # "Hemiacetal RO-CH2-OH" set type @atom:134 charge 0.1 # "Hemiacetal RO-CH2-OH" set type @atom:135 charge 0.3 # "Acetal RO-CHR-OR" set type @atom:136 charge 0.1 # "Acetal RO-CHR-OR" set type @atom:137 charge 0.365 # "Hemiacetal RO-CHR-OH" set type @atom:138 charge 0.1 # "Hemiacetal RO-CHR-OH" set type @atom:139 charge 0.4 # "Acetal RO-CR2-OR" set type @atom:140 charge 0.465 # "Hemiacetal RO-CR2-OH" set type @atom:141 charge 0.085 # "Anisole C-OCH3" set type @atom:142 charge -0.335 # "Thiol -SH" set type @atom:143 charge -0.47 # "Hydrogen Sulfide H2S" set type @atom:144 charge -0.435 # "Sulfide -S-" set type @atom:145 charge -0.2175 # "Disulfide -S-S-" set type @atom:146 charge 0.155 # "Thiol -SH" set type @atom:147 charge 0.235 # "Hydrogen Sulfide H2S" set type @atom:148 charge 0.06 # "Thiol -CH2-SH" set type @atom:149 charge 0.12 # "Thiol >CH-SH" set type @atom:150 charge 0.18 # "Thiol C-SH" set type @atom:151 charge 0.0375 # "Methyl Sulfide CH3-SR" set type @atom:152 charge 0.0975 # "Sulfide RCH2-SR" set type @atom:153 charge 0.1575 # "Sulfide R2CH-SR" set type @atom:154 charge 0.2175 # "Sulfide R3C-SR" set type @atom:155 charge 0.0375 # "Disulfide CH3-S-SR" set type @atom:156 charge 0.0975 # "Disulfide RCH2-S-SR" set type @atom:157 charge 0.1575 # "Disulfide R2CH-S-SR" set type @atom:158 charge 0.2175 # "Disulfide R3C-S-SR" set type @atom:159 charge 0.0 # "Methanethiol CH3-SH" set type @atom:160 charge 0.2 # "Benzyl Alcohol -CH2OH" set type @atom:161 charge 0.26 # "Benzyl Alcohol -CHROH" set type @atom:162 charge 0.32 # "Benzyl Alcohol -CR2OH" set type @atom:163 charge -0.055 # "Benzyl Alcohol/Nitrile" set type @atom:164 charge -0.32 # "Thioanisole -SCH3" set type @atom:165 charge 0.08 # "RCH2-NH2 & GLY CA" set type @atom:166 charge 0.14 # "RCHR-NH2 & ALA CA" set type @atom:167 charge 0.2 # "R3C-NH2 & AIB CA" set type @atom:168 charge -0.12 # "Chloroalkene Cl-CH=" set type @atom:169 charge 0.005 # "Chloroalkene Cl-CH=" set type @atom:170 charge 0.1025 # "Thioanisole C-SCH3" set type @atom:171 charge 0.14 # "Amide -NH-CHR2" set type @atom:172 charge 0.2 # "Amide -NH-CR3" set type @atom:173 charge 0.7 # "Benzophenone C=O" set type @atom:174 charge 0.565 # "Benzaldehyde C=O" set type @atom:175 charge 0.585 # "Acetophenone C=O" set type @atom:176 charge 0.615 # "Benzamide C=O" set type @atom:177 charge 0.5 # "Amide C=O" set type @atom:178 charge -0.5 # "Amide C=O" set type @atom:179 charge -0.76 # "Amide -CO-NH2" set type @atom:180 charge -0.5 # "Amide -CO-NHR" set type @atom:181 charge -0.14 # "Amide -CO-NR2" set type @atom:182 charge 0.38 # "Amide -CO-NH2" set type @atom:183 charge 0.3 # "Amide -CO-NHR" set type @atom:184 charge 0.02 # "Amide -NH-CH3" set type @atom:185 charge -0.11 # "Amide -NR-CH3" set type @atom:186 charge 0.08 # "Amide -NH-CH2R" set type @atom:187 charge -0.05 # "Amide -NR-CH2R & PRO CD" set type @atom:188 charge 0.01 # "Amide -NR-CHR2 & PRO CA" set type @atom:189 charge 0.142 # "Urea C=O" set type @atom:190 charge -0.39 # "Urea C=O" set type @atom:191 charge -0.542 # "Urea -NH2" set type @atom:192 charge 0.333 # "Urea -NH2" set type @atom:193 charge -0.49 # "Imide -NH-" set type @atom:194 charge 0.42 # "Imide C=O" set type @atom:195 charge -0.42 # "Imide C=O" set type @atom:196 charge 0.37 # "Imide -NH-" set type @atom:197 charge 0.06 # "Formimide H-C=O" set type @atom:198 charge -0.12 # "Imide CH3-CONHCO-" set type @atom:199 charge -0.06 # "Imide -CH2-CONHCO-" set type @atom:200 charge 0.0 # "Imide >CH-CONHCO-" set type @atom:201 charge 0.06 # "Imide C-CONHCO-" set type @atom:202 charge 0.035 # "Benzonitrile C-CN" set type @atom:203 charge 0.395 # "Benzonitrile -CN" set type @atom:204 charge -0.43 # "Benzonitrile -CN" set type @atom:205 charge 0.18 # "Chlorobenzene C-Cl" set type @atom:206 charge -0.18 # "Chlorobenzene C-Cl" set type @atom:207 charge -0.385 # "N-Phenylacetamide N" set type @atom:208 charge 0.085 # "N-Phenylacetamide N-CA" set type @atom:209 charge 0.52 # "Carboxylic Acid -COOH" set type @atom:210 charge -0.44 # "Carboxylic Acid C=O" set type @atom:211 charge -0.53 # "Carboxylic Acid -OH" set type @atom:212 charge 0.45 # "Carboxylic Acid -COOH" set type @atom:213 charge 0.7 # "Carboxylate COO-" set type @atom:214 charge -0.8 # "Carboxylate COO-" set type @atom:215 charge -0.28 # "Carboxylate CH3-COO-" set type @atom:216 charge -0.22 # "Carboxylate RCH2-COO-" set type @atom:217 charge -0.16 # "Carboxylate R2CH-COO-" set type @atom:218 charge -0.1 # "Carboxylate R3C-COO-" set type @atom:219 charge 0.45 # "Aldehyde/Acyl Halide C=O" set type @atom:220 charge -0.45 # "Aldehyde/Acyl Halide C=O" set type @atom:221 charge 0.0 # "Aldehyde/Formamide H-C=O" set type @atom:222 charge 0.47 # "Ketone C=O" set type @atom:223 charge -0.47 # "Ketone C=O" set type @atom:224 charge 0.06 # "Acyl H-C-COX" set type @atom:225 charge 0.04 # "C-Terminal ALA CA" set type @atom:226 charge -0.02 # "C-Terminal GLY CA" set type @atom:227 charge 0.1 # "C-Terminal AIB CA" set type @atom:228 charge -0.09 # "C-Terminal PRO CA" set type @atom:229 charge -0.4 # "Ammonium NH4+" set type @atom:230 charge -0.3 # "Ammonium RNH3+" set type @atom:231 charge 0.0 # "Ammonium R4N+" set type @atom:232 charge 0.35 # "Ammonium NH4+" set type @atom:233 charge 0.33 # "Ammonium RNH3+" set type @atom:234 charge 0.13 # "Ammonium CH3-NH3+" set type @atom:235 charge 0.19 # "CH3NH3+/N-Term GLY CA" set type @atom:236 charge 0.25 # "RCH2NH3+/N-Term ALA CA" set type @atom:237 charge 0.31 # "R3C-NH3+/N-Term AIB CA" set type @atom:238 charge 0.23 # "N-Terminal PRO CA" set type @atom:239 charge 0.17 # "N-Terminal PRO CD" set type @atom:240 charge 0.11 # "Ammonium CH3-NH2R+" set type @atom:241 charge 0.09 # "GLY Zwitterion CA" set type @atom:242 charge 0.15 # "ALA Zwitterion CA" set type @atom:243 charge -0.8 # "Guanidinium -NH2" set type @atom:244 charge 0.46 # "Guanidinium -NH2" set type @atom:245 charge 0.64 # "Guanidinium C+" set type @atom:246 charge -0.7 # "Guanidinium -NHR" set type @atom:247 charge 0.44 # "Guanidinium -NHR" set type @atom:248 charge 0.2 # "Me Guanidinium CH3-" set type @atom:249 charge -0.11 # "Et Guanidinium CH3-" set type @atom:250 charge 0.19 # "Et Guan -CH2- & ARG CD" set type @atom:251 charge -0.05 # "Pr Guan -CH2- & ARG CG" set type @atom:252 charge -0.2 # "Ammonium R2NH2+" set type @atom:253 charge 0.31 # "Ammonium R2NH2+" set type @atom:254 charge -0.46 # "Diaminopyridine N1" set type @atom:255 charge 0.36 # "Diaminopyridine C2" set type @atom:256 charge -0.85 # "Diaminopyridine -NH2" set type @atom:257 charge 0.37 # "Diaminopyridine -NH2" set type @atom:258 charge -0.15 # "Diaminopyridine C3" set type @atom:259 charge 0.1 # "Diaminopyridine H3" set type @atom:260 charge -0.04 # "Diaminopyridine C4" set type @atom:261 charge 0.1 # "Diaminopyridine H4" set type @atom:262 charge -0.6 # "Uracil & Thymine N1" set type @atom:263 charge 0.5 # "Uracil & Thymine C2" set type @atom:264 charge -0.51 # "Uracil & Thymine N3" set type @atom:265 charge 0.45 # "Uracil & Thymine C4" set type @atom:266 charge -0.07 # "Uracil & Thymine C5" set type @atom:267 charge 0.08 # "Uracil & Thymine C6" set type @atom:268 charge 0.41 # "Uracil & Thymine HN1" set type @atom:269 charge -0.4 # "Uracil & Thymine O2" set type @atom:270 charge 0.36 # "Uracil & Thymine HN3" set type @atom:271 charge -0.42 # "Uracil & Thymine O4" set type @atom:272 charge 0.1 # "Uracil & Thymine HC5" set type @atom:273 charge 0.1 # "Uracil & Thymine HC6" set type @atom:274 charge -0.14 # "Thymine CH3-" set type @atom:275 charge 0.08 # "Thymine CH3-" set type @atom:276 charge -0.56 # "Cytosine N1" set type @atom:277 charge 0.55 # "Cytosine C2" set type @atom:278 charge -0.54 # "Cytosine N3" set type @atom:279 charge 0.46 # "Cytosine C4" set type @atom:280 charge -0.06 # "Cytosine C5" set type @atom:281 charge 0.1 # "Cytosine C6" set type @atom:282 charge 0.38 # "Cytosine HN1" set type @atom:283 charge -0.48 # "Cytosine O2" set type @atom:284 charge -0.79 # "Cytosine NH2-" set type @atom:285 charge 0.385 # "Cytosine NH2- (N3)" set type @atom:286 charge 0.355 # "Cytosine NH2- (C5)" set type @atom:287 charge 0.1 # "Cytosine HC5" set type @atom:288 charge 0.1 # "Cytosine HC6" set type @atom:289 charge -0.53 # "Adenine N1" set type @atom:290 charge 0.22 # "Adenine C2" set type @atom:291 charge -0.55 # "Adenine N3" set type @atom:292 charge 0.38 # "Adenine C4" set type @atom:293 charge 0.15 # "Adenine C5" set type @atom:294 charge 0.44 # "Adenine C6" set type @atom:295 charge -0.49 # "Adenine & Guanine N7" set type @atom:296 charge 0.2 # "Adenine & Guanine C8" set type @atom:297 charge -0.5 # "Adenine & Guanine N9" set type @atom:298 charge 0.2 # "Adenine HC2" set type @atom:299 charge -0.81 # "Adenine NH2-" set type @atom:300 charge 0.385 # "Adenine NH2- (N1)" set type @atom:301 charge 0.355 # "Adenine NH2- (C5)" set type @atom:302 charge 0.2 # "Adenine & Guanine HC8" set type @atom:303 charge 0.35 # "Adenine & Guanine HN9" set type @atom:304 charge -0.56 # "Guanine N1" set type @atom:305 charge 0.46 # "Guanine C2" set type @atom:306 charge -0.51 # "Guanine N3" set type @atom:307 charge 0.34 # "Guanine C4" set type @atom:308 charge 0.12 # "Guanine C5" set type @atom:309 charge 0.52 # "Guanine C6" set type @atom:310 charge 0.38 # "Guanine HN1" set type @atom:311 charge -0.8 # "Guanine NH2-" set type @atom:312 charge 0.4 # "Guanine NH2-" set type @atom:313 charge -0.51 # "Guanine O6" set type @atom:314 charge -0.01 # "9-Me A & 9-Me-G CH3-" set type @atom:315 charge 0.12 # "9-Me-A & 9-Me-G CH3-" set type @atom:316 charge -0.01 # "1-Me-U & 1-Me-T CH3-" set type @atom:317 charge 0.14 # "1-Me-U & 1-Me-T CH3-" set type @atom:318 charge -0.01 # "1-Me-Cytosine CH3-" set type @atom:319 charge 0.13 # "1-Me-Cytosine CH3-" set type @atom:320 charge -0.64 # "CytosineH+ N1" set type @atom:321 charge 0.65 # "CytosineH+ C2" set type @atom:322 charge -0.74 # "CytosineH+ N3" set type @atom:323 charge 0.66 # "CytosineH+ C4" set type @atom:324 charge -0.06 # "CytosineH+ C5" set type @atom:325 charge 0.1 # "CytosineH+ C6" set type @atom:326 charge 0.49 # "CytosineH+ HN1" set type @atom:327 charge -0.3 # "CytosineH+ O2" set type @atom:328 charge 0.48 # "CytosineH+ HN3" set type @atom:329 charge -0.81 # "CytosineH+ NH2-" set type @atom:330 charge 0.46 # "CytosineH+ NH2- (N3)" set type @atom:331 charge 0.43 # "CytosineH+ NH2- (C5)" set type @atom:332 charge 0.14 # "CytosineH+ HC5" set type @atom:333 charge 0.14 # "CytosineH+ HC6" set type @atom:334 charge 0.01 # "1-Me-CytosineH+ CH3-" set type @atom:335 charge 0.16 # "1-Me-CytosineH+ CH3-" set type @atom:336 charge 0.78 # "DiMePhosphate P (UA)" set type @atom:337 charge -0.66 # "DiMePhosphate O=P-O (UA)" set type @atom:338 charge -0.43 # "DiMePhosphate CH3-O (UA)" set type @atom:339 charge 0.2 # "DiMePhosphate CH3-O (UA)" set type @atom:340 charge 0.18 # "Trifluorothymine CF3-" set type @atom:341 charge -0.06 # "Chloroalkene Cl2-C=" set type @atom:342 charge 0.12 # "Chloroalkene Cl2-C=" set type @atom:343 charge -1.0 # "Fluoride Ion F-" set type @atom:344 charge -1.0 # "Chloride Ion Cl-" set type @atom:345 charge -1.0 # "Bromide Ion Br-" set type @atom:346 charge -1.0 # "Iodide Ion I-" set type @atom:347 charge 1.0 # "Ammonium Ion NH4+ (UA)" set type @atom:348 charge 1.0 # "Lithium Ion Li+" set type @atom:349 charge 1.0 # "Sodium Ion Na+" set type @atom:350 charge 1.0 # "Potassium Ion K+" set type @atom:351 charge 1.0 # "Rubidium Ion Rb+" set type @atom:352 charge 1.0 # "Cesium Ion Cs+" set type @atom:353 charge 2.0 # "Magnesium Ion Mg+2" set type @atom:354 charge 2.0 # "Calcium Ion Ca+2" set type @atom:355 charge 2.0 # "Strontium Ion Sr+2" set type @atom:356 charge 2.0 # "Barium Ion Ba+2" set type @atom:357 charge -0.4 # "Methyl Thiolate CH3S-" set type @atom:358 charge 0.1 # "Methyl Thiolate CH3S-" set type @atom:359 charge -0.9 # "Methyl Thiolate CH3S-" set type @atom:360 charge -0.2 # "Methoxide CH3O-" set type @atom:361 charge 0.06 # "Methoxide CH3O-" set type @atom:362 charge -0.98 # "Methoxide CH3O-" set type @atom:363 charge -1.07 # "Nitrile Anion CNCH2-" set type @atom:364 charge 0.19 # "Nitrile Anion CNCH2-" set type @atom:365 charge 0.51 # "Nitrile Anion CNCH2-" set type @atom:366 charge -0.82 # "Nitrile Anion CNCH2-" set type @atom:367 charge -0.3 # "Me Amine Anion CH3NH-" set type @atom:368 charge 0.07 # "Me Amine Anion CH3NH-" set type @atom:369 charge -1.31 # "Me Amine Anion CH3NH-" set type @atom:370 charge 0.4 # "Methyl Amine Anion" set type @atom:371 charge -0.4 # "Ethyl Anion CH3-CH2-" set type @atom:372 charge 0.08 # "Ethyl Anion CH3-CH2-" set type @atom:373 charge 0.0 # "Ethyl Anion CH3-CH2-" set type @atom:374 charge 0.07 # "Ethyl Anion CH3-CH2-" set type @atom:375 charge -0.98 # "Ethyl Anion CH3-CH2-" set type @atom:376 charge -1.3 # "Hydroxide Ion OH-" set type @atom:377 charge 0.3 # "Hydroxide Ion OH-" set type @atom:378 charge 2.5 # "Uranyl Ion UO2+" set type @atom:379 charge -0.25 # "Uranyl Ion UO2+" set type @atom:380 charge -0.865 # "GTP O-(POn)2" set type @atom:381 charge 1.62 # "DiMe Phosphate P" set type @atom:382 charge -0.92 # "DiMe Phosphate O=P-O" set type @atom:383 charge -0.6 # "DiMe Phosphate CH3-O" set type @atom:384 charge 0.3 # "DiMe Phosphate CH3-O" set type @atom:385 charge -0.03 # "DiMe Phosphate CH3-O" set type @atom:386 charge 1.92 # "Me Phosphate P" set type @atom:387 charge -1.12 # "Me Phosphate O=PO2" set type @atom:388 charge -0.7 # "Me Phosphate CH3-O" set type @atom:389 charge 0.44 # "Me Phosphate CH3-O" set type @atom:390 charge -0.1 # "Me Phosphate CH3-O" set type @atom:391 charge 1.62 # "Me MePhosphonate P" set type @atom:392 charge -0.97 # "Me MePhosphonate O=P-O" set type @atom:393 charge -0.63 # "Me MePhosphonate CH3-O" set type @atom:394 charge 0.28 # "Me MePhosphonate CH3-O" set type @atom:395 charge -0.02 # "Me MePhosphonate CH3-O" set type @atom:396 charge -0.51 # "Me MePhosphonate CH3-P" set type @atom:397 charge 0.08 # "Me MePhosphonate CH3-P" set type @atom:398 charge -0.14 # "Bz MePhosphonate Cipso" set type @atom:399 charge 0.32 # "Bz MePhosphonate CH3-O" set type @atom:400 charge 0.02 # "Bz MePhosphonate CH3-O" set type @atom:401 charge -0.04 # "Me BzPhosphonate Cipso" set type @atom:402 charge -0.47 # "Me BzPhosphonate CH3-P" set type @atom:403 charge 0.12 # "Me BzPhosphonate CH3-P" set type @atom:404 charge 0.14 # "Ph Phosphate Cipso" set type @atom:405 charge 0.24 # "Barbiturate C6(R2)" set type @atom:406 charge 0.51 # "Ester -COOR" set type @atom:407 charge -0.43 # "Ester C=O" set type @atom:408 charge -0.33 # "Ester CO-O-R" set type @atom:409 charge 0.16 # "Methyl Ester -OCH3" set type @atom:410 charge 0.03 # "Ester -OCH<" set type @atom:411 charge 0.635 # "Benzoic Acid -COOH" set type @atom:412 charge 0.625 # "Aryl Ester -COOR" set type @atom:413 charge 0.135 # "Phenyl Ester Cipso" set type @atom:414 charge -0.215 # "Phenyl Ester -OPh" set type @atom:415 charge 1.48 # "Sulfonamide -SO2N<" set type @atom:416 charge -0.68 # "Sulfonamide -SO2N<" set type @atom:417 charge -0.54 # "Sulfonamide CH3-S" set type @atom:418 charge 0.18 # "Sulfonamide CH3-S" set type @atom:419 charge -1.0 # "Sulfonamide -SO2NH2" set type @atom:420 charge 0.44 # "Sulfonamide -SO2NH2" set type @atom:421 charge -0.8 # "Sulfonamide -SO2NHR" set type @atom:422 charge 0.41 # "Sulfonamide -SO2NHR" set type @atom:423 charge 0.18 # "N-Me Sulfonamide CH3-" set type @atom:424 charge 0.03 # "N-Me Sulfonamide CH3-" set type @atom:425 charge 0.39 # "Sulfonamide N-CH2-R" set type @atom:426 charge -0.06 # "Sulfonamide N-CH2-R" set type @atom:427 charge -0.18 # "N-Et Sulfonamide CH3-" set type @atom:428 charge 0.06 # "N-Et Sulfonamide CH3-" set type @atom:429 charge 0.0 # "Aryl Sulfonamide C-SO2N" set type @atom:430 charge 0.03 # "Aryl Sulfoxide C-S=O" set type @atom:431 charge 0.19 # "alkoxy carbon, Et Ester -OCH2R" (Price++Jorgensen,2001) set type @atom:432 charge 0.22 # "i-Pr Ester -OCHR2" set type @atom:433 charge 0.25 # "t-Bu Ester -OCR3" set type @atom:434 charge 1.374 # "Sulfone R-SO2-R" set type @atom:435 charge -0.687 # "Sulfone R-SO2-R" set type @atom:436 charge 0.245 # "Alkyl Aryl Sulfoxide" set type @atom:437 charge 0.13 # "Dialkyl Sulfoxide" set type @atom:438 charge -0.42 # "Sulfoxide R-SO-R" set type @atom:439 charge -0.035 # "Sulfoxide CH3-SO-R" set type @atom:440 charge 0.025 # "Sulfoxide -CH2-SO-R" set type @atom:441 charge 0.075 # "TRP CG" set type @atom:442 charge -0.055 # "TRP CD" set type @atom:443 charge 0.13 # "TRP CE" set type @atom:444 charge -0.57 # "TRP NE, HID ND & HIE NE" set type @atom:445 charge 0.42 # "TRP HNE & HID/HIE HN" set type @atom:446 charge -0.005 # "HIS CB" set type @atom:447 charge 0.295 # "HID & HIE CE1" set type @atom:448 charge -0.015 # "HID CD2 & HIE CG" set type @atom:449 charge 0.015 # "HID CG & HIE CD2" set type @atom:450 charge 0.385 # "HIP CE1" set type @atom:451 charge 0.215 # "HIP CG & CD2" set type @atom:452 charge -0.49 # "HID NE & HIE ND" set type @atom:453 charge -0.54 # "HIP ND & NE" set type @atom:454 charge 0.46 # "HIP HND & HNE" set type @atom:455 charge -0.115 # "TRP CD1" set type @atom:456 charge 0.055 # "i-Pr Benzene -CHMe2" set type @atom:457 charge 0.115 # "t-Bu Benzene -CMe3" set type @atom:458 charge -0.03 # "Vinyl Ether =CH-OR" set type @atom:459 charge 0.085 # "Vinyl Ether =CR-OR" set type @atom:460 charge 0.0 # "Biphenyl C1" set type @atom:461 charge -0.678 # "Pyridine N" set type @atom:462 charge 0.473 # "Pyridine C1" set type @atom:463 charge -0.447 # "Pyridine C2" set type @atom:464 charge 0.227 # "Pyridine C3" set type @atom:465 charge 0.012 # "Pyridine H1" set type @atom:466 charge 0.155 # "Pyridine H2" set type @atom:467 charge 0.065 # "Pyridine H3" set type @atom:468 charge -0.468 # "Pyrazine N" set type @atom:469 charge 0.192 # "Pyrazine CH" set type @atom:470 charge 0.042 # "Pyrazine CH" set type @atom:471 charge -0.839 # "Pyrimidine N" set type @atom:472 charge 0.874 # "Pyrimidine C2" set type @atom:473 charge 0.653 # "Pyrimidine C4" set type @atom:474 charge -0.689 # "Pyrimidine C5" set type @atom:475 charge -0.032 # "Pyrimidine HC2" set type @atom:476 charge 0.011 # "Pyrimidine HC4" set type @atom:477 charge 0.197 # "Pyrimidine HC5" set type @atom:478 charge -0.331 # "Pyridazine N" set type @atom:479 charge 0.378 # "Pyridazine C3" set type @atom:480 charge -0.16 # "Pyridazine C4" set type @atom:481 charge -0.009 # "Pyridazine HC3" set type @atom:482 charge 0.122 # "Pyridazine HC4" set type @atom:483 charge -0.239 # "Pyrrole N" set type @atom:484 charge -0.163 # "Pyrrole C2" set type @atom:485 charge -0.149 # "Pyrrole C3" set type @atom:486 charge 0.317 # "Pyrrole HN" set type @atom:487 charge 0.155 # "Pyrrole HC2" set type @atom:488 charge 0.118 # "Pyrrole HC3" set type @atom:489 charge -0.059 # "Pyrazole N1" set type @atom:490 charge -0.491 # "Pyrazole N2" set type @atom:491 charge 0.246 # "Pyrazole C3" set type @atom:492 charge -0.32 # "Pyrazole C4" set type @atom:493 charge -0.034 # "Pyrazole C5" set type @atom:494 charge 0.301 # "Pyrazole HN1" set type @atom:495 charge 0.072 # "Pyrazole HC3" set type @atom:496 charge 0.15 # "Pyrazole HC4" set type @atom:497 charge 0.135 # "Pyrazole HC5" set type @atom:498 charge -0.257 # "Imidazole N1" set type @atom:499 charge 0.275 # "Imidazole C2" set type @atom:500 charge -0.563 # "Imidazole N3" set type @atom:501 charge 0.185 # "Imidazole C4" set type @atom:502 charge -0.286 # "Imidazole C5" set type @atom:503 charge 0.306 # "Imidazole HN1" set type @atom:504 charge 0.078 # "Imidazole HC2" set type @atom:505 charge 0.075 # "Imidazole HC4" set type @atom:506 charge 0.187 # "Imidazole HC5" set type @atom:507 charge -0.19 # "Furan O" set type @atom:508 charge -0.019 # "Furan C2" set type @atom:509 charge -0.154 # "Furan C3" set type @atom:510 charge 0.142 # "Furan HC2" set type @atom:511 charge 0.126 # "Furan HC3" set type @atom:512 charge -0.257 # "Oxazole O" set type @atom:513 charge 0.511 # "Oxazole C2" set type @atom:514 charge -0.59 # "Oxazole N" set type @atom:515 charge 0.169 # "Oxazole C4" set type @atom:516 charge -0.148 # "Oxazole C5" set type @atom:517 charge 0.043 # "Oxazole HC2" set type @atom:518 charge 0.091 # "Oxazole HC4" set type @atom:519 charge 0.181 # "Oxazole HC5" set type @atom:520 charge -0.122 # "Isoxazole O" set type @atom:521 charge -0.413 # "Isoxazole N" set type @atom:522 charge 0.405 # "Isoxazole C3" set type @atom:523 charge -0.455 # "Isoxazole C4" set type @atom:524 charge 0.25 # "Isoxazole C5" set type @atom:525 charge 0.053 # "Isoxazole HC3" set type @atom:526 charge 0.184 # "Isoxazole HC4" set type @atom:527 charge 0.098 # "Isoxazole HC5" set type @atom:528 charge -0.5 # "Indole N1" set type @atom:529 charge 0.001 # "Indole C2" set type @atom:530 charge -0.39 # "Indole C3" set type @atom:531 charge -0.27 # "Indole C4" set type @atom:532 charge -0.127 # "Indole C5" set type @atom:533 charge -0.108 # "Indole C6" set type @atom:534 charge -0.258 # "Indole C7" set type @atom:535 charge 0.22 # "Indole C8" set type @atom:536 charge 0.225 # "Indole C9" set type @atom:537 charge 0.376 # "Indole HN1" set type @atom:538 charge 0.147 # "Indole HC2" set type @atom:539 charge 0.172 # "Indole HC3" set type @atom:540 charge 0.155 # "Indole HC4" set type @atom:541 charge 0.107 # "Indole HC5" set type @atom:542 charge 0.11 # "Indole HC6" set type @atom:543 charge 0.14 # "Indole HC7" set type @atom:544 charge -0.694 # "Quinoline N1" set type @atom:545 charge 0.425 # "Quinoline C2" set type @atom:546 charge -0.359 # "Quinoline C3" set type @atom:547 charge -0.008 # "Quinoline C4" set type @atom:548 charge -0.197 # "Quinoline C5" set type @atom:549 charge -0.112 # "Quinoline C6" set type @atom:550 charge -0.07 # "Quinoline C7" set type @atom:551 charge -0.307 # "Quinoline C8" set type @atom:552 charge 0.563 # "Quinoline C9" set type @atom:553 charge -0.051 # "Quinoline C10" set type @atom:554 charge 0.028 # "Quinoline HC2" set type @atom:555 charge 0.146 # "Quinoline HC3" set type @atom:556 charge 0.119 # "Quinoline HC4" set type @atom:557 charge 0.133 # "Quinoline HC5" set type @atom:558 charge 0.113 # "Quinoline HC6" set type @atom:559 charge 0.114 # "Quinoline HC7" set type @atom:560 charge 0.157 # "Quinoline HC8" set type @atom:561 charge -0.76 # "Purine N1" set type @atom:562 charge 0.679 # "Purine C2" set type @atom:563 charge -0.788 # "Purine N3" set type @atom:564 charge 0.736 # "Purine C4" set type @atom:565 charge 0.038 # "Purine C5" set type @atom:566 charge 0.343 # "Purine C6" set type @atom:567 charge -0.642 # "Purine N7" set type @atom:568 charge 0.452 # "Purine C8" set type @atom:569 charge -0.682 # "Purine N9" set type @atom:570 charge 0.024 # "Purine HC2" set type @atom:571 charge 0.101 # "Purine HC6" set type @atom:572 charge 0.086 # "Purine HC8" set type @atom:573 charge 0.413 # "Purine HN9" set type @atom:574 charge -0.03 # "Thiazole S" set type @atom:575 charge 0.242 # "Thiazole C2" set type @atom:576 charge -0.515 # "Thiazole N" set type @atom:577 charge 0.228 # "Thiazole C4" set type @atom:578 charge -0.299 # "Thiazole C5" set type @atom:579 charge 0.101 # "Thiazole HC2" set type @atom:580 charge 0.068 # "Thiazole HC4" set type @atom:581 charge 0.205 # "Thiazole HC5" set type @atom:582 charge -0.951 # "1,3,5-Triazine N" set type @atom:583 charge 0.965 # "1,3,5-Triazine CH" set type @atom:584 charge -0.014 # "1,3,5-Triazine CH" set type @atom:585 charge 0.13 # "Serotonin C5-OH" set type @atom:586 charge 0.052 # "Serotonin CH2 on C3" set type @atom:587 charge -0.599 # "1,10-Phenanthroline N" set type @atom:588 charge 0.392 # "1,10-Phenanthroline C2" set type @atom:589 charge -0.348 # "1,10-Phenanthroline C3" set type @atom:590 charge 0.02 # "1,10-Phenanthroline C4" set type @atom:591 charge -0.042 # "1,10-Phenanthroline C12" set type @atom:592 charge 0.347 # "1,10-Phenanthroline C11" set type @atom:593 charge -0.196 # "1,10-Phenanthroline C5" set type @atom:594 charge 0.032 # "1,10-Phenanthroline HC2" set type @atom:595 charge 0.146 # "1,10-Phenanthroline HC3" set type @atom:596 charge 0.108 # "1,10-Phenanthroline HC4" set type @atom:597 charge 0.14 # "1,10-Phenanthroline HC5" set type @atom:598 charge 0.122 # "1-Methylimidazole N1" set type @atom:599 charge 0.166 # "1-Methylimidazole C2" set type @atom:600 charge -0.58 # "1-Methylimidazole N3" set type @atom:601 charge 0.173 # "1-Methylimidazole C4" set type @atom:602 charge -0.395 # "1-Methylimidazole C5" set type @atom:603 charge -0.199 # "1-Methylimidazole CH3-" set type @atom:604 charge 0.118 # "1-Methylimidazole HC2" set type @atom:605 charge 0.093 # "1-Methylimidazole HC4" set type @atom:606 charge 0.208 # "1-Methylimidazole HC5" set type @atom:607 charge 0.098 # "1-Methylimidazole CH3-" set type @atom:608 charge -0.139 # "1-Et Imidazole RCH2-" set type @atom:609 charge -0.079 # "1-iPr Imidazole R2CH-" set type @atom:610 charge 0.099 # "1-MeO-Me-Imidazole CH2" set type @atom:611 charge -0.168 # "2-Me Pyridine CH3" set type @atom:612 charge -0.108 # "2-Et Pyridine CH2" set type @atom:613 charge -0.189 # "3-Me Pyridazine CH3" set type @atom:614 charge -0.129 # "3-Et Pyridazine CH2" set type @atom:615 charge -0.169 # "4-Me Pyrimidine CH3" set type @atom:616 charge -0.109 # "4-Et Pyrimidine CH2" set type @atom:617 charge -0.138 # "2-Me Pyrazine CH3" set type @atom:618 charge -0.078 # "2-Et Pyrazine CH2" set type @atom:619 charge -0.025 # "2-Me Pyrrole CH3" set type @atom:620 charge 0.035 # "2-Et Pyrrole CH2" set type @atom:621 charge -0.038 # "2-Me Furan CH3" set type @atom:622 charge 0.022 # "2-Et Furan CH2" set type @atom:623 charge -0.334 # "6-Mercaptopurine SH" set type @atom:624 charge 0.255 # "6-Mercaptopurine SH" set type @atom:625 charge 0.523 # "6-Mercaptopurine C6" set type @atom:626 charge 0.5 # "Beta-Lactam N-C=O" set type @atom:627 charge -0.14 # "Beta-Lactam N-C=O" set type @atom:628 charge 0.2275 # "Penicillin CH-N" set type @atom:629 charge 0.14 # "Penicillin CH-CO" set type @atom:630 charge -0.008 # "3-Me Indole CH3" set type @atom:631 charge 0.588 # "2-Phenyl Pyridine C2" set type @atom:632 charge -0.103 # "2-Phenyl Pyridine C2'" set type @atom:633 charge -0.332 # "2-Phenyl Pyridine C3" set type @atom:634 charge 0.04 # "2-Phenyl Pyridine C3'" set type @atom:635 charge 0.342 # "2-Phenyl Pyridine C4" set type @atom:636 charge -0.05 # "2-Phenyl Pyridine C4'" set type @atom:637 charge -0.205 # "Diphenyl Thioether S" set type @atom:638 charge 3.0 # "Actinium Ion Ac+3" set type @atom:639 charge 4.0 # "Thorium Ion Th+4" set type @atom:640 charge 3.0 # "Americium Ion Am+3" set type @atom:641 charge 0.619 # "t-Butyl Cation C+" set type @atom:642 charge -0.395 # "t-Butyl Cation CH3-" set type @atom:643 charge 0.174 # "t-Butyl Cation CH3-" set type @atom:644 charge 3.0 # "Lanthanum Ion La+3" set type @atom:645 charge 3.0 # "Neodymium Ion Nd+3" set type @atom:646 charge 3.0 # "Europium Ion Eu+3" set type @atom:647 charge 3.0 # "Gadolinium Ion Gd+3" set type @atom:648 charge 3.0 # "Ytterbium Ion Yb+3" set type @atom:649 charge -0.344 # "Cl..CH3..Cl- Sn2 TS" set type @atom:650 charge -0.628 # "Cl..CH3..Cl- Sn2 TS" set type @atom:651 charge 0.2 # "Cl..CH3..Cl- Sn2 TS" set type @atom:652 charge -0.12 # "Cyclopropane -CH2-" set type @atom:653 charge -0.06 # "Cyclopropane -CHR-" set type @atom:654 charge 0.0 # "Cyclopropane -CR2-" set type @atom:655 charge -0.23 # "Cyclopentadienyl Anion" set type @atom:656 charge 0.03 # "Cyclopentadienyl Anion" set type @atom:657 charge -0.099 # "Cyclopentadienyl Radical" set type @atom:658 charge 0.099 # "Cyclopentadienyl Radical" set type @atom:659 charge 0.22 # "Fluorobenzene CF" set type @atom:660 charge -0.22 # "Fluorobenzene CF" set type @atom:661 charge 0.13 # "Hexafluorobenzene CF" set type @atom:662 charge -0.13 # "Hexafluorobenzene CF" set type @atom:663 charge -0.22 # "Bromide -CH2-Br (UA)" set type @atom:664 charge 0.22 # "Bromide -CH2-Br (UA)" set type @atom:665 charge 0.15 # "TrifluoroMeBenzene C-CF3" set type @atom:666 charge 0.45 # "TrifluoroMeBenzene CF3-" set type @atom:667 charge -0.2 # "TrifluoroMeBenzene CF3-" set type @atom:668 charge 0.2 # "Difluorobenzene CF" set type @atom:669 charge -0.2 # "Difluorobenzene CF" set type @atom:670 charge 0.2 # "Bromobenzene CBr" set type @atom:671 charge -0.2 # "Bromobenzene CBr" set type @atom:672 charge 0.1 # "Iodobenzene CI" set type @atom:673 charge -0.1 # "Iodobenzene CI" set type @atom:674 charge 0.055 # "cProp/cBut Benzene C-Ar" set type @atom:675 charge -0.22 # "Thiophenol SH" set type @atom:676 charge 0.065 # "Thiophenol C-SH" set type @atom:677 charge 0.013 # "Benzamidine CG" set type @atom:678 charge -0.106 # "Benzamidine CD" set type @atom:679 charge -0.09 # "Benzamidine CE" set type @atom:680 charge -0.119 # "Benzamidine CZ" set type @atom:681 charge 0.141 # "Benzamidine HCD" set type @atom:682 charge 0.129 # "Benzamidine HCE" set type @atom:683 charge 0.827 # "Benzamidine C+" set type @atom:684 charge -0.885 # "Benzamidine -NH2" set type @atom:685 charge 0.426 # "Benzamidine H1-N" set type @atom:686 charge 0.465 # "Benzamidine H2-N" set type @atom:687 charge 0.119 # "Benzamidine HCG" set type @atom:688 charge -0.02 # "Neutral MeGdn CH3-" set type @atom:689 charge 0.04 # "Neutral ARG CD" set type @atom:690 charge -0.62 # "Neutral ARG NE" set type @atom:691 charge -0.785 # "Neutral ARG N1 (HN=C)" set type @atom:692 charge -0.785 # "Neutral ARG N2 (H2N-C)" set type @atom:693 charge 0.55 # "Neutral ARG CZ (>C=)" set type @atom:694 charge -0.56 # "Alkyl Nitrile -CN" set type @atom:695 charge 0.46 # "Alkyl Nitrile -CN" set type @atom:696 charge -0.08 # "Acetonitrile CH3-CN" set type @atom:697 charge -0.02 # "Alkyl Nitrile RCH2-CN" set type @atom:698 charge 0.04 # "Alkyl Nitrile R2CH-CN" set type @atom:699 charge 0.1 # "Alkyl Nitrile R3C-CN" set type @atom:700 charge 0.06 # "Alkyl Nitrile H-C-CN" set type @atom:701 charge 0.54 # "Nitroalkane -NO2" set type @atom:702 charge -0.37 # "Nitroalkane -NO2" set type @atom:703 charge 0.02 # "Nitromethane CH3-NO2" set type @atom:704 charge 0.06 # "Nitroalkane H-C-NO2" set type @atom:705 charge 0.08 # "Nitroalkane RCH2-NO2" set type @atom:706 charge 0.14 # "Nitroalkane R2CH-NO2" set type @atom:707 charge 0.2 # "Nitroalkane R3C-NO2" set type @atom:708 charge 0.65 # "Nitrobenzene -NO2" set type @atom:709 charge 0.09 # "Nitrobenzene C-NO2" set type @atom:710 charge 0.035 # "Benzonitrile -CH2-" set type @atom:711 charge -0.9 # "Neutral Benzamidine N" set type @atom:712 charge -0.5 # "Propylene Carbonate C=O" set type @atom:713 charge 0.86 # "Propylene Carbonate C=O" set type @atom:714 charge -0.45 # "Propylene Carbonate C-O" set type @atom:715 charge 0.21 # "Propylene Carbonate CH2" set type @atom:716 charge 0.16 # "Propylene Carbonate CH" set type @atom:717 charge -0.1 # "Propylene Carbonate CH3" set type @atom:718 charge 0.03 # "Propylene Carbonate CH2" set type @atom:719 charge 0.03 # "Propylene Carbonate CH" set type @atom:720 charge 0.06 # "Propylene Carbonate CH3" set type @atom:721 charge -0.78 # "GTP O-(POn)2" set type @atom:722 charge 0.9684 # "Phosphonium R4P+" set type @atom:723 charge -0.5081 # "Phosphonium CH3-PR3+" set type @atom:724 charge -0.008 # "Phosphonium RCH2-PR3+" set type @atom:725 charge 0.172 # "Phosphonium CH3-PR3+" set type @atom:726 charge 1.34 # "Hexafluorophosphate Ion" set type @atom:727 charge -0.39 # "Hexafluorophosphate Ion" set type @atom:728 charge 0.794 # "Nitrate Ion NO3-" set type @atom:729 charge -0.598 # "Nitrate Ion NO3-" set type @atom:730 charge -0.9 # "Amine RNH2" set type @atom:731 charge -0.78 # "Amine R2NH" set type @atom:732 charge -0.63 # "Amine R3N" set type @atom:733 charge 0.0 # "Amine CH3-NH2" set type @atom:734 charge 0.02 # "Amine CH3-NHR" set type @atom:735 charge 0.03 # "Amine CH3-NR2" set type @atom:736 charge 0.06 # "Amine RCH2-NH2" set type @atom:737 charge 0.08 # "Amine RCH2-NHR" set type @atom:738 charge 0.09 # "Amine RCH2-NR2" set type @atom:739 charge 0.36 # "Amine RNH2" set type @atom:740 charge 0.38 # "Amine R2NH" set type @atom:741 charge 0.06 # "Amine H-C-N" set type @atom:742 charge 0.12 # "Amine R2CH-NH2" set type @atom:743 charge 0.18 # "Amine R3C-NH2" set type @atom:744 charge 0.14 # "Amine R2CH-NHR" set type @atom:745 charge 0.15 # "Amine R2CH-NR2" set type @atom:746 charge 0.18 # "Aniline C-NH2" set type @atom:747 charge 0.2 # "N-Me Aniline C-NHR" set type @atom:748 charge 0.21 # "N-DiMe Aniline C-NR2" set type @atom:749 charge 0.115 # "Benzyl Amine -CH2NH2" set type @atom:750 charge 0.175 # "Benzyl Amine -CHRNH2" set type @atom:751 charge 0.235 # "Benzyl Amine -CR2NH2" set type @atom:752 charge 0.195 # "Benzyl Ether -CH2OR" set type @atom:753 charge 0.1525 # "Benzyl Sulfide -CH2SH" set type @atom:754 charge 0.135 # "Benzyl Amine -CH2NHR" set type @atom:755 charge -0.21 # "Alkyne HCC-" set type @atom:756 charge 0.2 # "Alkyne HCC-" set type @atom:757 charge 0.01 # "Alkyne RCCH R w/ 2/3 H" set type @atom:758 charge 0.01 # "Alkyne RCCH R w/ 1 H" set type @atom:759 charge 0.01 # "Alkyne RCCH R w/ O H/Ph" set type @atom:760 charge 0.06 # "Alkyne H-C-CC-" set type @atom:761 charge 0.45 # "A & G Sugar C1'" set type @atom:762 charge 0.48 # "C Sugar C1'" set type @atom:763 charge 0.51 # "U & T Sugar C1'" set type @atom:764 charge -0.655 # "Sugar O5'" set type @atom:765 charge 0.39 # "Sugar H3' (-OH)" set type @atom:766 charge -0.5 # "A & G Nucleoside N9" set type @atom:767 charge -0.56 # "C Nucleoside N1" set type @atom:768 charge -0.6 # "U & T Nucleoside N1" set type @atom:769 charge 0.0 # "Alkyne RCCR" set type @atom:770 charge -0.1 # "Ammonium R3NH+" set type @atom:771 charge 0.29 # "Ammonium R3NH+" set type @atom:772 charge 0.09 # "Ammonium CH3-NHR2+" set type @atom:773 charge 0.15 # "Ammonium RCH2-NHR2+" set type @atom:774 charge 0.21 # "Ammonium R2CH-NHR2+" set type @atom:775 charge 0.27 # "Ammonium R3C-NHR2+" set type @atom:776 charge 0.096 # "2-Phenyl Furan C2" set type @atom:777 charge -0.039 # "2-Phenyl Furan C3" set type @atom:778 charge 0.027 # "2-Phenyl Furan C2'" set type @atom:779 charge 0.011 # "2-Phenyl Furan C3'" set type @atom:780 charge 0.074 # "GLY Zwitterion HA" set type @atom:781 charge -0.029 # "GLY Zwitterion CA" set type @atom:782 charge 0.7 # "GLY Zwitterion C" set type @atom:783 charge -0.352 # "GLY Zwitterion N" set type @atom:784 charge -0.709 # "GLY Zwitterion O" set type @atom:785 charge 0.317 # "GLY Zwitterion HN" set type @atom:786 charge -0.22 # "Alkyl Fluoride C-F" set type @atom:787 charge 0.02 # "Alkyl Fluoride RCH2-F" set type @atom:788 charge 0.1 # "Alkyl Fluoride H-C-F" set type @atom:789 charge 0.12 # "Alkyl Fluoride R2CH-F" set type @atom:790 charge 0.22 # "Alkyl Fluoride R3C-F" set type @atom:791 charge 0.36 # "Perfluoroalkane CF3-" set type @atom:792 charge 0.24 # "Perfluoroalkane -CF2-" set type @atom:793 charge 0.12 # "Perfluoroalkane >CF-" set type @atom:794 charge 0.48 # "Tetrafluoromethane CF4" set type @atom:795 charge -0.12 # "Perfluoroalkane C-F" set type @atom:796 charge 0.25 # "DifluoroMeBenzene -CHF2" set type @atom:797 charge 0.15 # "DifluoroMeBenzene -CHF2" set type @atom:798 charge -0.08 # "Fluoroacetate FCH2-COO-" set type @atom:799 charge -0.106 # "Chloroacetate ClCH2-COO-" set type @atom:800 charge -0.2 # "Alkyl Chloride C-Cl" set type @atom:801 charge -0.006 # "Alkyl Chloride RCH2-Cl" set type @atom:802 charge 0.103 # "Alkyl Chloride H-C-Cl" set type @atom:803 charge 0.097 # "Alkyl Chloride R2CH-Cl" set type @atom:804 charge 0.2 # "Alkyl Chloride R3C-Cl" set type @atom:805 charge -0.2 # "Alkyl Bromide C-Br" set type @atom:806 charge -0.006 # "Alkyl Bromide RCH2-Br" set type @atom:807 charge 0.103 # "Alkyl Bromide H-C-Br" set type @atom:808 charge 0.097 # "Alkyl Bromide R2CH-Br" set type @atom:809 charge 0.2 # "Alkyl Bromide R3C-Br" set type @atom:810 charge -0.08 # "Acyl Fluoride F-C=O" set type @atom:811 charge -0.08 # "Acyl Chloride Cl-C=O" set type @atom:812 charge -0.08 # "Acyl Bromide Br-C=O" set type @atom:813 charge 0.1 # "Trifluoroanisole C-OCF3" set type @atom:814 charge -0.25 # "Trifluoroanisole -OCF3" set type @atom:815 charge 0.6 # "Trifluoroanisole -OCF3" set type @atom:816 charge -0.15 # "Trifluoroanisole -OCF3" set type @atom:817 charge -0.025 # "N-Me,N-PhAcetamide N" set type @atom:818 charge -0.045 # "N-Me,N-PhAcetamide Cipso" set type @atom:819 charge 0.145 # "Benzyl Amine -CH2NR2" set type @atom:820 charge 0.888 # "Alkyl Hydroxamic Acid C" set type @atom:821 charge 1.003 # "Aryl Hydroxamic Acid C" set type @atom:822 charge -0.658 # "Hydroxamic Acid C=O" set type @atom:823 charge -0.634 # "Hydroxamic Acid N" set type @atom:824 charge 0.411 # "Hydroxamic Acid HN" set type @atom:825 charge -0.442 # "Hydroxamic Acid OH" set type @atom:826 charge 0.435 # "Hydroxamic Acid OH" set type @atom:827 charge 0.225 # "Benzyl Ether -CHROR" set type @atom:828 charge 0.255 # "Benzyl Ether -CR2OR" set type @atom:829 charge -0.034 # "3-Phenyl Pyrrole C3" set type @atom:830 charge 0.003 # "3-Phenyl Pyrrole C3'" set type @atom:831 charge 0.3 # "4-Phenyl Imidazole C4" set type @atom:832 charge -0.04 # "4-Phenyl Imidazole C4'" set type @atom:833 charge -0.0575 # "Diphenylmethane Cipso" set type @atom:834 charge 2.0 # "Zinc Ion Zn+2" set type @atom:835 charge -0.07 # "Alkyl Iodide RCH2-I" set type @atom:836 charge 0.03 # "Alkyl Iodide R2CH-I" set type @atom:837 charge 0.13 # "Alkyl Iodide R3C-I" set type @atom:838 charge -0.13 # "Alkyl Iodide C-I" set type @atom:839 charge 0.1 # "Alkyl Iodide H-C-I" set type @atom:840 charge -0.685 # "N-Ph Sulfonamide -NHPh" set type @atom:841 charge 0.155 # "N-Ph Sulfonamide Cipso" set type @atom:842 charge -0.1 # "Benzoate C-COO-" set type @atom:843 charge -0.427 # "N-Phenyl Urea N" set type @atom:844 charge 0.218 # "N-Phenyl Urea Cipso" set type @atom:845 charge 0.6 # "Tertiary Amide -CO-NR2" set type @atom:846 charge -0.6 # "Tertiary Amide -CO-NR2" set type @atom:847 charge -0.36 # "Tertiary Amide -CO-NR2" set type @atom:848 charge 0.0 # "Tertiary Amide -NRCH3" set type @atom:849 charge 0.06 # "Tertiary Amide -NRCH2R" set type @atom:850 charge 0.12 # "Tertiary Amide -NRCHR2" set type @atom:851 charge 0.18 # "Tertiary Amide -NRCR3" set type @atom:852 charge 0.06 # "Tertiary Amide H-C-N" set type @atom:853 charge 0.57 # "Tertiary Formamide C=O" set type @atom:854 charge -0.57 # "Tertiary Formamide C=O" set type @atom:855 charge 0.0 # "Tertiary Formamide H-C=O" set type @atom:856 charge 0.02 # "B2-Peptide CA" set type @atom:857 charge -0.04 # "B3-Peptide CA Main/N-Ter" set type @atom:858 charge 0.0 # "B3-Pep CB GLY Main/C-Ter" set type @atom:859 charge 0.06 # "B3-Pep CB ALA Main/C-Ter" set type @atom:860 charge -0.07 # "B3-Pep CB PRO Main/C-Ter" set type @atom:861 charge -0.14 # "B3-Peptide CA C-Ter" set type @atom:862 charge 0.17 # "B3-Peptide CB ALA N-Ter" set type @atom:863 charge 0.11 # "B3-Peptide CB GLY N-Ter" set type @atom:864 charge 0.15 # "B3-Peptide CB PRO N-Ter" set type @atom:865 charge 0.17 # "B3-Peptide CE PRO N-Ter" set type @atom:866 charge 1.0 # "Alkyl Silane R4Si" set type @atom:867 charge 0.85 # "Alkyl Silane R3SiH" set type @atom:868 charge 0.7 # "Alkyl Silane R2SiH2" set type @atom:869 charge 0.55 # "Alkyl Silane RSiH3" set type @atom:870 charge -0.1 # "Alkyl Silane H-C-Si" set type @atom:871 charge -0.43 # "Methyl Silane CH3-Si" set type @atom:872 charge -0.37 # "Alkyl Silane RCH2-Si" set type @atom:873 charge -0.31 # "Alkyl Silane R2CH-Si" set type @atom:874 charge -0.25 # "Alkyl Silane R3C-Si" set type @atom:875 charge -1.0 # "Fluoride Ion (GBSA)" set type @atom:876 charge -1.0 # "Chloride Ion (GBSA)" set type @atom:877 charge -1.0 # "Bromide Ion (GBSA)" set type @atom:878 charge -1.0 # "Iodide Ion (GBSA)" set type @atom:879 charge 1.0 # "Lithium Ion (GBSA)" set type @atom:880 charge 1.0 # "Sodium Ion (GBSA)" set type @atom:881 charge 1.0 # "Potassium Ion (GBSA)" set type @atom:882 charge 1.0 # "Rubidium Ion (GBSA)" set type @atom:883 charge 1.0 # "Cesium Ion (GBSA)" set type @atom:884 charge 2.0 # "Magnesium Ion (GBSA)" set type @atom:885 charge 2.0 # "Calcium Ion (GBSA)" set type @atom:886 charge 2.0 # "Strontium Ion (GBSA)" set type @atom:887 charge 2.0 # "Barium Ion (GBSA)" set type @atom:888 charge -0.05 # "Ammonium CH3-NR3+" set type @atom:889 charge 0.05 # "Ammonium RCH2-NR3+" set type @atom:890 charge 0.15 # "Ammonium R2CH-NR3+" set type @atom:891 charge 0.25 # "Ammonium R3C-NR3+" set type @atom:892 charge 0.1 # "Ammonium CH3-NR3+" set type @atom:893 charge 0.115 # "Anilinium Ar-NR3+" set type @atom:894 charge 0.135 # "Anilinium C-NR3+" set type @atom:895 charge 0.015 # "Anilinium Ar-NHR2+" set type @atom:896 charge 0.155 # "Anilinium C-NHR2+" set type @atom:897 charge 0.0 # "Triene R2-C= (mid C=C)" set type @atom:898 charge -0.115 # "Triene RH-C= (mid C=C)" set type @atom:899 charge 0.15 # "Allene/Ketene H-C=C=X" set type @atom:900 charge -0.25 # "Allene/Ketene H2C=C=X" set type @atom:901 charge -0.1 # "Allene/Ketene HRC=C=X" set type @atom:902 charge 0.05 # "Allene/Ketene R2C=C=X" set type @atom:903 charge -0.1 # "Allene =C=" set type @atom:904 charge 0.2 # "Ketene =C=" set type @atom:905 charge -0.25 # "Ketene C=O" set type @atom:906 charge 0.088 # "N-Me-HIS CB" } #(end of atom partial charges) write_once("Data Masses") { @atom:1 18.998 # 1 @atom:2 14.027 # 2 @atom:3 12.011 # 3 @atom:4 15.999 # 4 @atom:5 15.999 # 5 @atom:6 15.035 # 6 @atom:7 1.008 # 7 @atom:8 16.043 # 8 @atom:9 15.035 # 9 @atom:10 15.035 # 10 @atom:11 15.035 # 11 @atom:12 15.035 # 12 @atom:13 14.027 # 13 @atom:14 14.027 # 14 @atom:15 13.019 # 15 @atom:16 13.019 # 16 @atom:17 13.019 # 17 @atom:18 12.011 # 18 @atom:19 12.011 # 19 @atom:20 15.999 # 20 @atom:21 1.008 # 21 @atom:22 15.035 # 22 @atom:23 14.027 # 23 @atom:24 32.06 # 24 @atom:25 32.06 # 25 @atom:26 32.06 # 26 @atom:27 32.06 # 27 @atom:28 1.008 # 28 @atom:29 1.008 # 29 @atom:30 15.035 # 30 @atom:31 14.027 # 31 @atom:32 15.035 # 32 @atom:33 14.027 # 33 @atom:34 15.035 # 34 @atom:35 14.027 # 35 @atom:36 14.007 # 36 @atom:37 12.011 # 37 @atom:38 15.035 # 38 @atom:39 13.019 # 39 @atom:40 12.011 # 40 @atom:41 15.999 # 41 @atom:42 15.035 # 42 @atom:43 14.027 # 43 @atom:44 14.027 # 44 @atom:45 35.453 # 45 @atom:46 12.011 # 46 @atom:47 35.453 # 47 @atom:48 12.011 # 48 @atom:49 35.453 # 49 @atom:50 32.06 # 50 @atom:51 15.999 # 51 @atom:52 15.035 # 52 @atom:53 15.999 # 53 @atom:54 14.007 # 54 @atom:55 12.011 # 55 @atom:56 15.035 # 56 @atom:57 1.0 # 57 @atom:58 4.003 # 58 @atom:59 20.179 # 59 @atom:60 39.948 # 60 @atom:61 83.8 # 61 @atom:62 131.3 # 62 @atom:63 15.999 # 63 @atom:64 1.008 # 64 @atom:65 15.999 # 65 @atom:66 1.008 # 66 @atom:67 1e-30 # 67 @atom:68 15.999 # 68 @atom:69 1.008 # 69 @atom:70 15.999 # 70 @atom:71 1.008 # 71 @atom:72 1e-30 # 72 @atom:73 15.999 # 73 @atom:74 1.008 # 74 @atom:75 1e-30 # 75 @atom:76 15.999 # 76 @atom:77 1.008 # 77 @atom:78 14.007 # 78 @atom:79 1.008 # 79 @atom:80 12.011 # 80 @atom:81 12.011 # 81 @atom:82 12.011 # 82 @atom:83 12.011 # 83 @atom:84 12.011 # 84 @atom:85 1.008 # 85 @atom:86 12.011 # 86 @atom:87 12.011 # 87 @atom:88 12.011 # 88 @atom:89 1.008 # 89 @atom:90 12.011 # 90 @atom:91 1.008 # 91 @atom:92 12.011 # 92 @atom:93 12.011 # 93 @atom:94 12.011 # 94 @atom:95 12.011 # 95 @atom:96 15.999 # 96 @atom:97 1.008 # 97 @atom:98 1.008 # 98 @atom:99 12.011 # 99 @atom:100 12.011 # 100 @atom:101 12.011 # 101 @atom:102 12.011 # 102 @atom:103 12.011 # 103 @atom:104 15.999 # 104 @atom:105 1.008 # 105 @atom:106 18.998 # 106 @atom:107 1.008 # 107 @atom:108 12.011 # 108 @atom:109 15.999 # 109 @atom:110 1.008 # 110 @atom:111 15.999 # 111 @atom:112 1.008 # 112 @atom:113 15.999 # 113 @atom:114 1.008 # 114 @atom:115 12.011 # 115 @atom:116 12.011 # 116 @atom:117 12.011 # 117 @atom:118 1.008 # 118 @atom:119 15.999 # 119 @atom:120 12.011 # 120 @atom:121 15.999 # 121 @atom:122 15.999 # 122 @atom:123 12.011 # 123 @atom:124 12.011 # 124 @atom:125 12.011 # 125 @atom:126 12.011 # 126 @atom:127 1.008 # 127 @atom:128 15.999 # 128 @atom:129 15.999 # 129 @atom:130 1.008 # 130 @atom:131 12.011 # 131 @atom:132 1.008 # 132 @atom:133 12.011 # 133 @atom:134 1.008 # 134 @atom:135 12.011 # 135 @atom:136 1.008 # 136 @atom:137 12.011 # 137 @atom:138 1.008 # 138 @atom:139 12.011 # 139 @atom:140 12.011 # 140 @atom:141 12.011 # 141 @atom:142 32.06 # 142 @atom:143 32.06 # 143 @atom:144 32.06 # 144 @atom:145 32.06 # 145 @atom:146 1.008 # 146 @atom:147 1.008 # 147 @atom:148 12.011 # 148 @atom:149 12.011 # 149 @atom:150 12.011 # 150 @atom:151 12.011 # 151 @atom:152 12.011 # 152 @atom:153 12.011 # 153 @atom:154 12.011 # 154 @atom:155 12.011 # 155 @atom:156 12.011 # 156 @atom:157 12.011 # 157 @atom:158 12.011 # 158 @atom:159 12.011 # 159 @atom:160 12.011 # 160 @atom:161 12.011 # 161 @atom:162 12.011 # 162 @atom:163 12.011 # 163 @atom:164 32.06 # 164 @atom:165 12.011 # 165 @atom:166 12.011 # 166 @atom:167 12.011 # 167 @atom:168 35.453 # 168 @atom:169 12.011 # 169 @atom:170 12.011 # 170 @atom:171 12.011 # 171 @atom:172 12.011 # 172 @atom:173 12.011 # 173 @atom:174 12.011 # 174 @atom:175 12.011 # 175 @atom:176 12.011 # 176 @atom:177 12.011 # 177 @atom:178 15.999 # 178 @atom:179 14.007 # 179 @atom:180 14.007 # 180 @atom:181 14.007 # 181 @atom:182 1.008 # 182 @atom:183 1.008 # 183 @atom:184 12.011 # 184 @atom:185 12.011 # 185 @atom:186 12.011 # 186 @atom:187 12.011 # 187 @atom:188 12.011 # 188 @atom:189 12.011 # 189 @atom:190 15.999 # 190 @atom:191 14.007 # 191 @atom:192 1.008 # 192 @atom:193 14.007 # 193 @atom:194 12.011 # 194 @atom:195 15.999 # 195 @atom:196 1.008 # 196 @atom:197 1.008 # 197 @atom:198 12.011 # 198 @atom:199 12.011 # 199 @atom:200 12.011 # 200 @atom:201 12.011 # 201 @atom:202 12.011 # 202 @atom:203 12.011 # 203 @atom:204 14.007 # 204 @atom:205 12.011 # 205 @atom:206 35.453 # 206 @atom:207 14.007 # 207 @atom:208 12.011 # 208 @atom:209 12.011 # 209 @atom:210 15.999 # 210 @atom:211 15.999 # 211 @atom:212 1.008 # 212 @atom:213 12.011 # 213 @atom:214 15.999 # 214 @atom:215 12.011 # 215 @atom:216 12.011 # 216 @atom:217 12.011 # 217 @atom:218 12.011 # 218 @atom:219 12.011 # 219 @atom:220 15.999 # 220 @atom:221 1.008 # 221 @atom:222 12.011 # 222 @atom:223 15.999 # 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312 @atom:313 15.999 # 313 @atom:314 12.011 # 314 @atom:315 1.008 # 315 @atom:316 12.011 # 316 @atom:317 1.008 # 317 @atom:318 12.011 # 318 @atom:319 1.008 # 319 @atom:320 14.007 # 320 @atom:321 12.011 # 321 @atom:322 14.007 # 322 @atom:323 12.011 # 323 @atom:324 12.011 # 324 @atom:325 12.011 # 325 @atom:326 1.008 # 326 @atom:327 15.999 # 327 @atom:328 1.008 # 328 @atom:329 14.007 # 329 @atom:330 1.008 # 330 @atom:331 1.008 # 331 @atom:332 1.008 # 332 @atom:333 1.008 # 333 @atom:334 12.011 # 334 @atom:335 1.008 # 335 @atom:336 30.974 # 336 @atom:337 15.999 # 337 @atom:338 15.999 # 338 @atom:339 15.035 # 339 @atom:340 12.011 # 340 @atom:341 35.453 # 341 @atom:342 12.011 # 342 @atom:343 18.998 # 343 @atom:344 35.453 # 344 @atom:345 79.904 # 345 @atom:346 126.905 # 346 @atom:347 18.039 # 347 @atom:348 6.941 # 348 @atom:349 22.99 # 349 @atom:350 39.098 # 350 @atom:351 85.468 # 351 @atom:352 132.905 # 352 @atom:353 24.305 # 353 @atom:354 40.08 # 354 @atom:355 87.62 # 355 @atom:356 137.33 # 356 @atom:357 12.011 # 357 @atom:358 1.008 # 358 @atom:359 32.06 # 359 @atom:360 12.011 # 360 @atom:361 1.008 # 361 @atom:362 15.999 # 362 @atom:363 12.011 # 363 @atom:364 1.008 # 364 @atom:365 12.011 # 365 @atom:366 14.007 # 366 @atom:367 12.011 # 367 @atom:368 1.008 # 368 @atom:369 14.007 # 369 @atom:370 1.008 # 370 @atom:371 12.011 # 371 @atom:372 1.008 # 372 @atom:373 12.011 # 373 @atom:374 1.008 # 374 @atom:375 1e-30 # 375 @atom:376 15.999 # 376 @atom:377 1.008 # 377 @atom:378 238.029 # 378 @atom:379 15.999 # 379 @atom:380 15.999 # 380 @atom:381 30.974 # 381 @atom:382 15.999 # 382 @atom:383 15.999 # 383 @atom:384 12.011 # 384 @atom:385 1.008 # 385 @atom:386 30.974 # 386 @atom:387 15.999 # 387 @atom:388 15.999 # 388 @atom:389 12.011 # 389 @atom:390 1.008 # 390 @atom:391 30.974 # 391 @atom:392 15.999 # 392 @atom:393 15.999 # 393 @atom:394 12.011 # 394 @atom:395 1.008 # 395 @atom:396 12.011 # 396 @atom:397 1.008 # 397 @atom:398 12.011 # 398 @atom:399 12.011 # 399 @atom:400 1.008 # 400 @atom:401 12.011 # 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446 @atom:447 12.011 # 447 @atom:448 12.011 # 448 @atom:449 12.011 # 449 @atom:450 12.011 # 450 @atom:451 12.011 # 451 @atom:452 14.007 # 452 @atom:453 14.007 # 453 @atom:454 1.008 # 454 @atom:455 12.011 # 455 @atom:456 12.011 # 456 @atom:457 12.011 # 457 @atom:458 12.011 # 458 @atom:459 12.011 # 459 @atom:460 12.011 # 460 @atom:461 14.007 # 461 @atom:462 12.011 # 462 @atom:463 12.011 # 463 @atom:464 12.011 # 464 @atom:465 1.008 # 465 @atom:466 1.008 # 466 @atom:467 1.008 # 467 @atom:468 14.007 # 468 @atom:469 12.011 # 469 @atom:470 1.008 # 470 @atom:471 14.007 # 471 @atom:472 12.011 # 472 @atom:473 12.011 # 473 @atom:474 12.011 # 474 @atom:475 1.008 # 475 @atom:476 1.008 # 476 @atom:477 1.008 # 477 @atom:478 14.007 # 478 @atom:479 12.011 # 479 @atom:480 12.011 # 480 @atom:481 1.008 # 481 @atom:482 1.008 # 482 @atom:483 14.007 # 483 @atom:484 12.011 # 484 @atom:485 12.011 # 485 @atom:486 1.008 # 486 @atom:487 1.008 # 487 @atom:488 1.008 # 488 @atom:489 14.007 # 489 @atom:490 14.007 # 490 @atom:491 12.011 # 491 @atom:492 12.011 # 492 @atom:493 12.011 # 493 @atom:494 1.008 # 494 @atom:495 1.008 # 495 @atom:496 1.008 # 496 @atom:497 1.008 # 497 @atom:498 14.007 # 498 @atom:499 12.011 # 499 @atom:500 14.007 # 500 @atom:501 12.011 # 501 @atom:502 12.011 # 502 @atom:503 1.008 # 503 @atom:504 1.008 # 504 @atom:505 1.008 # 505 @atom:506 1.008 # 506 @atom:507 15.999 # 507 @atom:508 12.011 # 508 @atom:509 12.011 # 509 @atom:510 1.008 # 510 @atom:511 1.008 # 511 @atom:512 15.999 # 512 @atom:513 12.011 # 513 @atom:514 14.007 # 514 @atom:515 12.011 # 515 @atom:516 12.011 # 516 @atom:517 1.008 # 517 @atom:518 1.008 # 518 @atom:519 1.008 # 519 @atom:520 15.999 # 520 @atom:521 14.007 # 521 @atom:522 12.011 # 522 @atom:523 12.011 # 523 @atom:524 12.011 # 524 @atom:525 1.008 # 525 @atom:526 1.008 # 526 @atom:527 1.008 # 527 @atom:528 14.007 # 528 @atom:529 12.011 # 529 @atom:530 12.011 # 530 @atom:531 12.011 # 531 @atom:532 12.011 # 532 @atom:533 12.011 # 533 @atom:534 12.011 # 534 @atom:535 12.011 # 535 @atom:536 12.011 # 536 @atom:537 1.008 # 537 @atom:538 1.008 # 538 @atom:539 1.008 # 539 @atom:540 1.008 # 540 @atom:541 1.008 # 541 @atom:542 1.008 # 542 @atom:543 1.008 # 543 @atom:544 14.007 # 544 @atom:545 12.011 # 545 @atom:546 12.011 # 546 @atom:547 12.011 # 547 @atom:548 12.011 # 548 @atom:549 12.011 # 549 @atom:550 12.011 # 550 @atom:551 12.011 # 551 @atom:552 12.011 # 552 @atom:553 12.011 # 553 @atom:554 1.008 # 554 @atom:555 1.008 # 555 @atom:556 1.008 # 556 @atom:557 1.008 # 557 @atom:558 1.008 # 558 @atom:559 1.008 # 559 @atom:560 1.008 # 560 @atom:561 14.007 # 561 @atom:562 12.011 # 562 @atom:563 14.007 # 563 @atom:564 12.011 # 564 @atom:565 12.011 # 565 @atom:566 12.011 # 566 @atom:567 14.007 # 567 @atom:568 12.011 # 568 @atom:569 14.007 # 569 @atom:570 1.008 # 570 @atom:571 1.008 # 571 @atom:572 1.008 # 572 @atom:573 1.008 # 573 @atom:574 32.06 # 574 @atom:575 12.011 # 575 @atom:576 14.007 # 576 @atom:577 12.011 # 577 @atom:578 12.011 # 578 @atom:579 1.008 # 579 @atom:580 1.008 # 580 @atom:581 1.008 # 581 @atom:582 14.007 # 582 @atom:583 12.011 # 583 @atom:584 1.008 # 584 @atom:585 12.011 # 585 @atom:586 12.011 # 586 @atom:587 14.007 # 587 @atom:588 12.011 # 588 @atom:589 12.011 # 589 @atom:590 12.011 # 590 @atom:591 12.011 # 591 @atom:592 12.011 # 592 @atom:593 12.011 # 593 @atom:594 1.008 # 594 @atom:595 1.008 # 595 @atom:596 1.008 # 596 @atom:597 1.008 # 597 @atom:598 14.007 # 598 @atom:599 12.011 # 599 @atom:600 14.007 # 600 @atom:601 12.011 # 601 @atom:602 12.011 # 602 @atom:603 12.011 # 603 @atom:604 1.008 # 604 @atom:605 1.008 # 605 @atom:606 1.008 # 606 @atom:607 1.008 # 607 @atom:608 12.011 # 608 @atom:609 12.011 # 609 @atom:610 12.011 # 610 @atom:611 12.011 # 611 @atom:612 12.011 # 612 @atom:613 12.011 # 613 @atom:614 12.011 # 614 @atom:615 12.011 # 615 @atom:616 12.011 # 616 @atom:617 12.011 # 617 @atom:618 12.011 # 618 @atom:619 12.011 # 619 @atom:620 12.011 # 620 @atom:621 12.011 # 621 @atom:622 12.011 # 622 @atom:623 32.06 # 623 @atom:624 1.008 # 624 @atom:625 12.011 # 625 @atom:626 12.011 # 626 @atom:627 14.007 # 627 @atom:628 12.011 # 628 @atom:629 12.011 # 629 @atom:630 12.011 # 630 @atom:631 12.011 # 631 @atom:632 12.011 # 632 @atom:633 12.011 # 633 @atom:634 12.011 # 634 @atom:635 12.011 # 635 @atom:636 12.011 # 636 @atom:637 32.06 # 637 @atom:638 227.0 # 638 @atom:639 232.038 # 639 @atom:640 243.0 # 640 @atom:641 12.011 # 641 @atom:642 12.011 # 642 @atom:643 1.008 # 643 @atom:644 138.906 # 644 @atom:645 144.24 # 645 @atom:646 151.96 # 646 @atom:647 157.25 # 647 @atom:648 173.04 # 648 @atom:649 12.011 # 649 @atom:650 35.453 # 650 @atom:651 1.008 # 651 @atom:652 12.011 # 652 @atom:653 12.011 # 653 @atom:654 12.011 # 654 @atom:655 12.011 # 655 @atom:656 1.008 # 656 @atom:657 12.011 # 657 @atom:658 1.008 # 658 @atom:659 12.011 # 659 @atom:660 18.998 # 660 @atom:661 12.011 # 661 @atom:662 18.998 # 662 @atom:663 79.904 # 663 @atom:664 14.027 # 664 @atom:665 12.011 # 665 @atom:666 12.011 # 666 @atom:667 18.998 # 667 @atom:668 12.011 # 668 @atom:669 18.998 # 669 @atom:670 12.011 # 670 @atom:671 79.904 # 671 @atom:672 12.011 # 672 @atom:673 126.905 # 673 @atom:674 12.011 # 674 @atom:675 32.06 # 675 @atom:676 12.011 # 676 @atom:677 12.011 # 677 @atom:678 12.011 # 678 @atom:679 12.011 # 679 @atom:680 12.011 # 680 @atom:681 1.008 # 681 @atom:682 1.008 # 682 @atom:683 12.011 # 683 @atom:684 14.007 # 684 @atom:685 1.008 # 685 @atom:686 1.008 # 686 @atom:687 1.008 # 687 @atom:688 12.011 # 688 @atom:689 12.011 # 689 @atom:690 14.007 # 690 @atom:691 14.007 # 691 @atom:692 14.007 # 692 @atom:693 12.011 # 693 @atom:694 14.007 # 694 @atom:695 12.011 # 695 @atom:696 12.011 # 696 @atom:697 12.011 # 697 @atom:698 12.011 # 698 @atom:699 12.011 # 699 @atom:700 1.008 # 700 @atom:701 14.007 # 701 @atom:702 15.999 # 702 @atom:703 12.011 # 703 @atom:704 1.008 # 704 @atom:705 12.011 # 705 @atom:706 12.011 # 706 @atom:707 12.011 # 707 @atom:708 14.007 # 708 @atom:709 12.011 # 709 @atom:710 12.011 # 710 @atom:711 14.007 # 711 @atom:712 15.999 # 712 @atom:713 12.011 # 713 @atom:714 15.999 # 714 @atom:715 12.011 # 715 @atom:716 12.011 # 716 @atom:717 12.011 # 717 @atom:718 1.008 # 718 @atom:719 1.008 # 719 @atom:720 1.008 # 720 @atom:721 15.999 # 721 @atom:722 30.974 # 722 @atom:723 12.011 # 723 @atom:724 12.011 # 724 @atom:725 1.008 # 725 @atom:726 30.974 # 726 @atom:727 18.998 # 727 @atom:728 14.007 # 728 @atom:729 15.999 # 729 @atom:730 14.007 # 730 @atom:731 14.007 # 731 @atom:732 14.007 # 732 @atom:733 12.011 # 733 @atom:734 12.011 # 734 @atom:735 12.011 # 735 @atom:736 12.011 # 736 @atom:737 12.011 # 737 @atom:738 12.011 # 738 @atom:739 1.008 # 739 @atom:740 1.008 # 740 @atom:741 1.008 # 741 @atom:742 12.011 # 742 @atom:743 12.011 # 743 @atom:744 12.011 # 744 @atom:745 12.011 # 745 @atom:746 12.011 # 746 @atom:747 12.011 # 747 @atom:748 12.011 # 748 @atom:749 12.011 # 749 @atom:750 12.011 # 750 @atom:751 12.011 # 751 @atom:752 12.011 # 752 @atom:753 12.011 # 753 @atom:754 12.011 # 754 @atom:755 12.011 # 755 @atom:756 1.008 # 756 @atom:757 12.011 # 757 @atom:758 12.011 # 758 @atom:759 12.011 # 759 @atom:760 1.008 # 760 @atom:761 12.011 # 761 @atom:762 12.011 # 762 @atom:763 12.011 # 763 @atom:764 15.999 # 764 @atom:765 1.008 # 765 @atom:766 14.007 # 766 @atom:767 14.007 # 767 @atom:768 14.007 # 768 @atom:769 12.011 # 769 @atom:770 14.007 # 770 @atom:771 1.008 # 771 @atom:772 12.011 # 772 @atom:773 12.011 # 773 @atom:774 12.011 # 774 @atom:775 12.011 # 775 @atom:776 12.011 # 776 @atom:777 12.011 # 777 @atom:778 12.011 # 778 @atom:779 12.011 # 779 @atom:780 1.008 # 780 @atom:781 12.011 # 781 @atom:782 12.011 # 782 @atom:783 14.007 # 783 @atom:784 15.999 # 784 @atom:785 1.008 # 785 @atom:786 18.998 # 786 @atom:787 12.011 # 787 @atom:788 1.008 # 788 @atom:789 12.011 # 789 @atom:790 12.011 # 790 @atom:791 12.011 # 791 @atom:792 12.011 # 792 @atom:793 12.011 # 793 @atom:794 12.011 # 794 @atom:795 18.998 # 795 @atom:796 12.011 # 796 @atom:797 1.008 # 797 @atom:798 12.011 # 798 @atom:799 12.011 # 799 @atom:800 35.453 # 800 @atom:801 12.011 # 801 @atom:802 1.008 # 802 @atom:803 12.011 # 803 @atom:804 12.011 # 804 @atom:805 79.904 # 805 @atom:806 12.011 # 806 @atom:807 1.008 # 807 @atom:808 12.011 # 808 @atom:809 12.011 # 809 @atom:810 18.998 # 810 @atom:811 35.453 # 811 @atom:812 79.904 # 812 @atom:813 12.011 # 813 @atom:814 15.999 # 814 @atom:815 12.011 # 815 @atom:816 18.998 # 816 @atom:817 14.007 # 817 @atom:818 12.011 # 818 @atom:819 12.011 # 819 @atom:820 12.011 # 820 @atom:821 12.011 # 821 @atom:822 15.999 # 822 @atom:823 14.007 # 823 @atom:824 1.008 # 824 @atom:825 15.999 # 825 @atom:826 1.008 # 826 @atom:827 12.011 # 827 @atom:828 12.011 # 828 @atom:829 12.011 # 829 @atom:830 12.011 # 830 @atom:831 12.011 # 831 @atom:832 12.011 # 832 @atom:833 12.011 # 833 @atom:834 1e-30 # 834 @atom:835 12.011 # 835 @atom:836 12.011 # 836 @atom:837 12.011 # 837 @atom:838 126.905 # 838 @atom:839 1.008 # 839 @atom:840 14.007 # 840 @atom:841 12.011 # 841 @atom:842 12.011 # 842 @atom:843 14.007 # 843 @atom:844 12.011 # 844 @atom:845 12.011 # 845 @atom:846 15.999 # 846 @atom:847 14.007 # 847 @atom:848 12.011 # 848 @atom:849 12.011 # 849 @atom:850 12.011 # 850 @atom:851 12.011 # 851 @atom:852 1.008 # 852 @atom:853 12.011 # 853 @atom:854 15.999 # 854 @atom:855 1.008 # 855 @atom:856 12.011 # 856 @atom:857 12.011 # 857 @atom:858 12.011 # 858 @atom:859 12.011 # 859 @atom:860 12.011 # 860 @atom:861 12.011 # 861 @atom:862 12.011 # 862 @atom:863 12.011 # 863 @atom:864 12.011 # 864 @atom:865 12.011 # 865 @atom:866 28.086 # 866 @atom:867 28.086 # 867 @atom:868 28.086 # 868 @atom:869 28.086 # 869 @atom:870 1.008 # 870 @atom:871 12.011 # 871 @atom:872 12.011 # 872 @atom:873 12.011 # 873 @atom:874 12.011 # 874 @atom:875 18.998 # 875 @atom:876 35.453 # 876 @atom:877 79.904 # 877 @atom:878 126.905 # 878 @atom:879 6.941 # 879 @atom:880 22.99 # 880 @atom:881 39.098 # 881 @atom:882 85.468 # 882 @atom:883 132.905 # 883 @atom:884 24.305 # 884 @atom:885 40.08 # 885 @atom:886 87.62 # 886 @atom:887 137.33 # 887 @atom:888 12.011 # 888 @atom:889 12.011 # 889 @atom:890 12.011 # 890 @atom:891 12.011 # 891 @atom:892 1.008 # 892 @atom:893 14.007 # 893 @atom:894 12.011 # 894 @atom:895 14.007 # 895 @atom:896 12.011 # 896 @atom:897 12.011 # 897 @atom:898 12.011 # 898 @atom:899 1.008 # 899 @atom:900 12.011 # 900 @atom:901 12.011 # 901 @atom:902 12.011 # 902 @atom:903 12.011 # 903 @atom:904 12.011 # 904 @atom:905 15.999 # 905 @atom:906 12.011 # 906 } #(end of atom masses) # ---------- EQUIVALENCE CATEGORIES for bonded interaction lookup ---------- # Each type of atom has a separate ID used for looking up bond parameters # and a separate ID for looking up 3-body angle interaction parameters # and a separate ID for looking up 4-body dihedral interaction parameters # and a separate ID for looking up 4-body improper interaction parameters # The complete @atom type name includes ALL of these ID numbers. There's # no need to force the end-user to type the complete name of each atom. # The "replace" command used below informs moltemplate that the short # @atom names we have been using above are equivalent to the complete # @atom names used below: replace{ @atom:1 @atom:1_b001_a001_d001_i001 } replace{ @atom:2 @atom:2_b002_a002_d002_i002 } replace{ @atom:3 @atom:3_b003_a003_d003_i003 } replace{ @atom:4 @atom:4_b004_a004_d004_i004 } replace{ @atom:5 @atom:5_b005_a005_d005_i005 } replace{ @atom:6 @atom:6_b006_a006_d006_i006 } replace{ @atom:7 @atom:7_b007_a007_d007_i007 } replace{ @atom:8 @atom:8_b008_a008_d008_i008 } replace{ @atom:9 @atom:9_b006_a006_d006_i006 } replace{ @atom:10 @atom:10_b006_a006_d006_i006 } replace{ @atom:11 @atom:11_b006_a006_d006_i006 } replace{ @atom:12 @atom:12_b006_a006_d006_i006 } replace{ @atom:13 @atom:13_b002_a002_d002_i002 } replace{ @atom:14 @atom:14_b009_a009_d009_i009 } replace{ @atom:15 @atom:15_b010_a010_d010_i010 } replace{ @atom:16 @atom:16_b011_a011_d011_i011 } replace{ @atom:17 @atom:17_b012_a012_d012_i012 } replace{ @atom:18 @atom:18_b013_a013_d013_i013 } replace{ @atom:19 @atom:19_b014_a014_d014_i014 } replace{ @atom:20 @atom:20_b005_a005_d005_i005 } replace{ @atom:21 @atom:21_b007_a007_d007_i007 } replace{ @atom:22 @atom:22_b006_a006_d006_i006 } replace{ @atom:23 @atom:23_b002_a002_d002_i002 } replace{ @atom:24 @atom:24_b015_a015_d015_i015 } replace{ @atom:25 @atom:25_b015_a015_d015_i015 } replace{ @atom:26 @atom:26_b016_a016_d016_i016 } replace{ @atom:27 @atom:27_b016_a016_d016_i016 } replace{ @atom:28 @atom:28_b017_a017_d017_i017 } replace{ @atom:29 @atom:29_b017_a017_d017_i017 } replace{ @atom:30 @atom:30_b006_a006_d006_i006 } replace{ @atom:31 @atom:31_b002_a002_d002_i002 } replace{ @atom:32 @atom:32_b006_a006_d006_i006 } replace{ @atom:33 @atom:33_b002_a002_d002_i002 } replace{ @atom:34 @atom:34_b006_a006_d006_i006 } replace{ @atom:35 @atom:35_b002_a002_d002_i002 } replace{ @atom:36 @atom:36_b018_a018_d018_i018 } replace{ @atom:37 @atom:37_b019_a019_d019_i019 } replace{ @atom:38 @atom:38_b006_a006_d006_i006 } replace{ @atom:39 @atom:39_b010_a010_d010_i010 } replace{ @atom:40 @atom:40_b013_a013_d013_i013 } replace{ @atom:41 @atom:41_b020_a020_d020_i020 } replace{ @atom:42 @atom:42_b006_a006_d006_i006 } replace{ @atom:43 @atom:43_b002_a002_d002_i002 } replace{ @atom:44 @atom:44_b002_a002_d002_i002 } replace{ @atom:45 @atom:45_b021_a021_d021_i021 } replace{ @atom:46 @atom:46_b010_a010_d010_i010 } replace{ @atom:47 @atom:47_b021_a021_d021_i021 } replace{ @atom:48 @atom:48_b013_a013_d013_i013 } replace{ @atom:49 @atom:49_b021_a021_d021_i021 } replace{ @atom:50 @atom:50_b022_a022_d022_i022 } replace{ @atom:51 @atom:51_b023_a023_d023_i023 } replace{ @atom:52 @atom:52_b006_a006_d006_i006 } replace{ @atom:53 @atom:53_b004_a004_d004_i004 } replace{ @atom:54 @atom:54_b024_a024_d024_i024 } replace{ @atom:55 @atom:55_b003_a003_d003_i003 } replace{ @atom:56 @atom:56_b006_a006_d006_i006 } replace{ @atom:57 @atom:57_b025_a025_d025_i025 } replace{ @atom:58 @atom:58_b026_a026_d026_i026 } replace{ @atom:59 @atom:59_b027_a027_d027_i027 } replace{ @atom:60 @atom:60_b028_a028_d028_i028 } replace{ @atom:61 @atom:61_b029_a029_d029_i029 } replace{ @atom:62 @atom:62_b030_a030_d030_i030 } replace{ @atom:63 @atom:63_b031_a031_d031_i031 } replace{ @atom:64 @atom:64_b032_a032_d032_i032 } replace{ @atom:65 @atom:65_b031_a031_d031_i031 } replace{ @atom:66 @atom:66_b032_a032_d032_i032 } replace{ @atom:67 @atom:67_b033_a033_d033_i033 } replace{ @atom:68 @atom:68_b034_a034_d034_i034 } replace{ @atom:69 @atom:69_b035_a035_d035_i035 } replace{ @atom:70 @atom:70_b036_a036_d036_i036 } replace{ @atom:71 @atom:71_b037_a037_d037_i037 } replace{ @atom:72 @atom:72_b038_a038_d038_i038 } replace{ @atom:73 @atom:73_b039_a039_d039_i039 } replace{ @atom:74 @atom:74_b040_a040_d040_i040 } replace{ @atom:75 @atom:75_b041_a041_d041_i041 } replace{ @atom:76 @atom:76_b042_a042_d042_i042 } replace{ @atom:77 @atom:77_b043_a043_d043_i043 } replace{ @atom:78 @atom:78_b044_a044_d044_i044 } replace{ @atom:79 @atom:79_b045_a045_d045_i045 } replace{ @atom:80 @atom:80_b013_a013_d013_i013 } replace{ @atom:81 @atom:81_b013_a013_d013_i013 } replace{ @atom:82 @atom:82_b013_a013_d013_i013 } replace{ @atom:83 @atom:83_b013_a013_d013_i013 } replace{ @atom:84 @atom:84_b013_a013_d013_i013 } replace{ @atom:85 @atom:85_b046_a046_d046_i046 } replace{ @atom:86 @atom:86_b047_a047_d047_i047 } replace{ @atom:87 @atom:87_b047_a047_d047_i047 } replace{ @atom:88 @atom:88_b047_a047_d047_i047 } replace{ @atom:89 @atom:89_b046_a046_d046_i046 } replace{ @atom:90 @atom:90_b048_a048_d048_i048 } replace{ @atom:91 @atom:91_b049_a049_d049_i049 } replace{ @atom:92 @atom:92_b048_a048_d048_i048 } replace{ @atom:93 @atom:93_b013_a013_d013_i013 } replace{ @atom:94 @atom:94_b013_a013_d013_i013 } replace{ @atom:95 @atom:95_b050_a050_d050_i050 } replace{ @atom:96 @atom:96_b005_a005_d005_i005 } replace{ @atom:97 @atom:97_b007_a007_d007_i007 } replace{ @atom:98 @atom:98_b046_a046_d046_i046 } replace{ @atom:99 @atom:99_b013_a013_d013_i013 } replace{ @atom:100 @atom:100_b013_a013_d013_i013 } replace{ @atom:101 @atom:101_b013_a013_d013_i013 } replace{ @atom:102 @atom:102_b013_a013_d013_i013 } replace{ @atom:103 @atom:103_b013_a013_d013_i013 } replace{ @atom:104 @atom:104_b005_a005_d005_i005 } replace{ @atom:105 @atom:105_b007_a007_d007_i007 } replace{ @atom:106 @atom:106_b001_a001_d001_i001 } replace{ @atom:107 @atom:107_b046_a046_d046_i046 } replace{ @atom:108 @atom:108_b048_a048_d048_i048 } replace{ @atom:109 @atom:109_b005_a005_d005_i005 } replace{ @atom:110 @atom:110_b007_a007_d007_i007 } replace{ @atom:111 @atom:111_b005_a005_d005_i005 } replace{ @atom:112 @atom:112_b007_a007_d007_i007 } replace{ @atom:113 @atom:113_b005_a005_d005_i005 } replace{ @atom:114 @atom:114_b007_a007_d007_i007 } replace{ @atom:115 @atom:115_b013_a013_d013_i013 } replace{ @atom:116 @atom:116_b013_a013_d013_i013 } replace{ @atom:117 @atom:117_b013_a013_d013_i013 } replace{ @atom:118 @atom:118_b046_a046_d046_i046 } replace{ @atom:119 @atom:119_b020_a020_d020_i020 } replace{ @atom:120 @atom:120_b050_a050_d050_i050 } replace{ @atom:121 @atom:121_b020_a020_d020_i020 } replace{ @atom:122 @atom:122_b020_a020_d020_i020 } replace{ @atom:123 @atom:123_b013_a013_d013_i013 } replace{ @atom:124 @atom:124_b013_a013_d013_i013 } replace{ @atom:125 @atom:125_b013_a013_d013_i013 } replace{ @atom:126 @atom:126_b013_a013_d013_i013 } replace{ @atom:127 @atom:127_b046_a046_d046_i046 } replace{ @atom:128 @atom:128_b020_a020_d020_i020 } replace{ @atom:129 @atom:129_b005_a005_d005_i005 } replace{ @atom:130 @atom:130_b007_a007_d007_i007 } replace{ @atom:131 @atom:131_b051_a051_d051_i051 } replace{ @atom:132 @atom:132_b046_a046_d046_i046 } replace{ @atom:133 @atom:133_b051_a051_d051_i051 } replace{ @atom:134 @atom:134_b046_a046_d046_i046 } replace{ @atom:135 @atom:135_b051_a051_d051_i051 } replace{ @atom:136 @atom:136_b046_a046_d046_i046 } replace{ @atom:137 @atom:137_b051_a051_d051_i051 } replace{ @atom:138 @atom:138_b046_a046_d046_i046 } replace{ @atom:139 @atom:139_b051_a051_d051_i051 } replace{ @atom:140 @atom:140_b051_a051_d051_i051 } replace{ @atom:141 @atom:141_b048_a048_d048_i048 } replace{ @atom:142 @atom:142_b015_a015_d015_i015 } replace{ @atom:143 @atom:143_b015_a015_d015_i015 } replace{ @atom:144 @atom:144_b016_a016_d016_i016 } replace{ @atom:145 @atom:145_b016_a016_d016_i016 } replace{ @atom:146 @atom:146_b017_a017_d017_i017 } replace{ @atom:147 @atom:147_b017_a017_d017_i017 } replace{ @atom:148 @atom:148_b013_a013_d013_i013 } replace{ @atom:149 @atom:149_b013_a013_d013_i013 } replace{ @atom:150 @atom:150_b013_a013_d013_i013 } replace{ @atom:151 @atom:151_b013_a013_d013_i013 } replace{ @atom:152 @atom:152_b013_a013_d013_i013 } replace{ @atom:153 @atom:153_b013_a013_d013_i013 } replace{ @atom:154 @atom:154_b013_a013_d013_i013 } replace{ @atom:155 @atom:155_b013_a013_d013_i013 } replace{ @atom:156 @atom:156_b013_a013_d013_i013 } replace{ @atom:157 @atom:157_b013_a013_d013_i013 } replace{ @atom:158 @atom:158_b013_a013_d013_i013 } replace{ @atom:159 @atom:159_b013_a013_d013_i013 } replace{ @atom:160 @atom:160_b013_a013_d013_i013 } replace{ @atom:161 @atom:161_b013_a013_d013_i013 } replace{ @atom:162 @atom:162_b013_a013_d013_i013 } replace{ @atom:163 @atom:163_b048_a048_d048_i048 } replace{ @atom:164 @atom:164_b016_a016_d016_i016 } replace{ @atom:165 @atom:165_b013_a013_d013_i013 } replace{ @atom:166 @atom:166_b013_a013_d013_i013 } replace{ @atom:167 @atom:167_b013_a013_d013_i013 } replace{ @atom:168 @atom:168_b021_a021_d021_i021 } replace{ @atom:169 @atom:169_b047_a047_d047_i047 } replace{ @atom:170 @atom:170_b048_a048_d048_i048 } replace{ @atom:171 @atom:171_b013_a013_d013_i013 } replace{ @atom:172 @atom:172_b013_a013_d013_i013 } replace{ @atom:173 @atom:173_b003_a003_d003_i003 } replace{ @atom:174 @atom:174_b003_a003_d003_i003 } replace{ @atom:175 @atom:175_b003_a003_d003_i003 } replace{ @atom:176 @atom:176_b003_a003_d003_i003 } replace{ @atom:177 @atom:177_b003_a003_d003_i003 } replace{ @atom:178 @atom:178_b004_a004_d004_i004 } replace{ @atom:179 @atom:179_b024_a024_d024_i024 } replace{ @atom:180 @atom:180_b024_a024_d024_i024 } replace{ @atom:181 @atom:181_b024_a024_d024_i024 } replace{ @atom:182 @atom:182_b045_a045_d045_i045 } replace{ @atom:183 @atom:183_b045_a045_d045_i045 } replace{ @atom:184 @atom:184_b013_a013_d013_i013 } replace{ @atom:185 @atom:185_b013_a013_d013_i013 } replace{ @atom:186 @atom:186_b013_a013_d013_i013 } replace{ @atom:187 @atom:187_b013_a013_d013_i013 } replace{ @atom:188 @atom:188_b013_a013_d013_i013 } replace{ @atom:189 @atom:189_b003_a003_d003_i003 } replace{ @atom:190 @atom:190_b004_a004_d004_i004 } replace{ @atom:191 @atom:191_b024_a024_d024_i024 } replace{ @atom:192 @atom:192_b045_a045_d045_i045 } replace{ @atom:193 @atom:193_b024_a024_d024_i024 } replace{ @atom:194 @atom:194_b003_a003_d003_i003 } replace{ @atom:195 @atom:195_b004_a004_d004_i004 } replace{ @atom:196 @atom:196_b045_a045_d045_i045 } replace{ @atom:197 @atom:197_b046_a046_d046_i046 } replace{ @atom:198 @atom:198_b013_a013_d013_i013 } replace{ @atom:199 @atom:199_b013_a013_d013_i013 } replace{ @atom:200 @atom:200_b013_a013_d013_i013 } replace{ @atom:201 @atom:201_b013_a013_d013_i013 } replace{ @atom:202 @atom:202_b048_a048_d048_i048 } replace{ @atom:203 @atom:203_b019_a019_d019_i019 } replace{ @atom:204 @atom:204_b018_a018_d018_i018 } replace{ @atom:205 @atom:205_b048_a048_d048_i048 } replace{ @atom:206 @atom:206_b021_a021_d021_i021 } replace{ @atom:207 @atom:207_b024_a024_d024_i024 } replace{ @atom:208 @atom:208_b048_a048_d048_i048 } replace{ @atom:209 @atom:209_b003_a003_d003_i003 } replace{ @atom:210 @atom:210_b004_a004_d004_i004 } replace{ @atom:211 @atom:211_b005_a005_d005_i005 } replace{ @atom:212 @atom:212_b007_a007_d007_i007 } replace{ @atom:213 @atom:213_b003_a003_d003_i003 } replace{ @atom:214 @atom:214_b052_a052_d052_i052 } replace{ @atom:215 @atom:215_b013_a013_d013_i013 } replace{ @atom:216 @atom:216_b013_a013_d013_i013 } replace{ @atom:217 @atom:217_b013_a013_d013_i013 } replace{ @atom:218 @atom:218_b013_a013_d013_i013 } replace{ @atom:219 @atom:219_b003_a003_d003_i003 } replace{ @atom:220 @atom:220_b004_a004_d004_i004 } replace{ @atom:221 @atom:221_b046_a046_d046_i046 } replace{ @atom:222 @atom:222_b003_a003_d003_i003 } replace{ @atom:223 @atom:223_b004_a004_d004_i004 } replace{ @atom:224 @atom:224_b046_a046_d046_i046 } replace{ @atom:225 @atom:225_b013_a013_d013_i013 } replace{ @atom:226 @atom:226_b013_a013_d013_i013 } replace{ @atom:227 @atom:227_b013_a013_d013_i013 } replace{ @atom:228 @atom:228_b013_a013_d013_i013 } replace{ @atom:229 @atom:229_b053_a053_d053_i053 } replace{ @atom:230 @atom:230_b053_a053_d053_i053 } replace{ @atom:231 @atom:231_b053_a053_d053_i053 } replace{ @atom:232 @atom:232_b054_a054_d054_i054 } replace{ @atom:233 @atom:233_b054_a054_d054_i054 } replace{ @atom:234 @atom:234_b013_a013_d013_i013 } replace{ @atom:235 @atom:235_b013_a013_d013_i013 } replace{ @atom:236 @atom:236_b013_a013_d013_i013 } replace{ @atom:237 @atom:237_b013_a013_d013_i013 } replace{ @atom:238 @atom:238_b013_a013_d013_i013 } replace{ @atom:239 @atom:239_b013_a013_d013_i013 } replace{ @atom:240 @atom:240_b013_a013_d013_i013 } replace{ @atom:241 @atom:241_b013_a013_d013_i013 } replace{ @atom:242 @atom:242_b013_a013_d013_i013 } replace{ @atom:243 @atom:243_b055_a055_d055_i055 } replace{ @atom:244 @atom:244_b054_a054_d054_i054 } replace{ @atom:245 @atom:245_b048_a048_d048_i048 } replace{ @atom:246 @atom:246_b055_a055_d055_i055 } replace{ @atom:247 @atom:247_b054_a054_d054_i054 } replace{ @atom:248 @atom:248_b013_a013_d013_i013 } replace{ @atom:249 @atom:249_b013_a013_d013_i013 } replace{ @atom:250 @atom:250_b013_a013_d013_i013 } replace{ @atom:251 @atom:251_b013_a013_d013_i013 } replace{ @atom:252 @atom:252_b053_a053_d053_i053 } replace{ @atom:253 @atom:253_b054_a054_d054_i054 } replace{ @atom:254 @atom:254_b056_a056_d056_i056 } replace{ @atom:255 @atom:255_b048_a048_d048_i048 } replace{ @atom:256 @atom:256_b055_a055_d055_i055 } replace{ @atom:257 @atom:257_b045_a045_d045_i045 } replace{ @atom:258 @atom:258_b048_a048_d048_i048 } replace{ @atom:259 @atom:259_b049_a049_d049_i049 } replace{ @atom:260 @atom:260_b048_a048_d048_i048 } replace{ @atom:261 @atom:261_b049_a049_d049_i049 } replace{ @atom:262 @atom:262_b057_a057_d057_i057 } replace{ @atom:263 @atom:263_b003_a003_d003_i003 } replace{ @atom:264 @atom:264_b057_a057_d057_i057 } replace{ @atom:265 @atom:265_b003_a003_d003_i003 } replace{ @atom:266 @atom:266_b047_a047_d047_i047 } replace{ @atom:267 @atom:267_b047_a047_d047_i047 } replace{ @atom:268 @atom:268_b045_a045_d045_i045 } replace{ @atom:269 @atom:269_b004_a004_d004_i004 } replace{ @atom:270 @atom:270_b045_a045_d045_i045 } replace{ @atom:271 @atom:271_b004_a004_d004_i004 } replace{ @atom:272 @atom:272_b046_a046_d046_i046 } replace{ @atom:273 @atom:273_b046_a046_d046_i046 } replace{ @atom:274 @atom:274_b013_a013_d013_i013 } replace{ @atom:275 @atom:275_b046_a046_d046_i046 } replace{ @atom:276 @atom:276_b057_a057_d057_i057 } replace{ @atom:277 @atom:277_b003_a003_d003_i003 } replace{ @atom:278 @atom:278_b056_a056_d056_i056 } replace{ @atom:279 @atom:279_b048_a048_d048_i048 } replace{ @atom:280 @atom:280_b047_a047_d047_i047 } replace{ @atom:281 @atom:281_b047_a047_d047_i047 } replace{ @atom:282 @atom:282_b045_a045_d045_i045 } replace{ @atom:283 @atom:283_b004_a004_d004_i004 } replace{ @atom:284 @atom:284_b055_a055_d055_i055 } replace{ @atom:285 @atom:285_b045_a045_d045_i045 } replace{ @atom:286 @atom:286_b045_a045_d045_i045 } replace{ @atom:287 @atom:287_b046_a046_d046_i046 } replace{ @atom:288 @atom:288_b058_a058_d058_i058 } replace{ @atom:289 @atom:289_b056_a056_d056_i056 } replace{ @atom:290 @atom:290_b059_a059_d059_i059 } replace{ @atom:291 @atom:291_b056_a056_d056_i056 } replace{ @atom:292 @atom:292_b060_a060_d060_i060 } replace{ @atom:293 @atom:293_b060_a060_d060_i060 } replace{ @atom:294 @atom:294_b048_a048_d048_i048 } replace{ @atom:295 @atom:295_b061_a061_d061_i061 } replace{ @atom:296 @atom:296_b062_a062_d062_i062 } replace{ @atom:297 @atom:297_b057_a057_d057_i057 } replace{ @atom:298 @atom:298_b063_a063_d063_i063 } replace{ @atom:299 @atom:299_b055_a055_d055_i055 } replace{ @atom:300 @atom:300_b045_a045_d045_i045 } replace{ @atom:301 @atom:301_b045_a045_d045_i045 } replace{ @atom:302 @atom:302_b063_a063_d063_i063 } replace{ @atom:303 @atom:303_b045_a045_d045_i045 } replace{ @atom:304 @atom:304_b057_a057_d057_i057 } replace{ @atom:305 @atom:305_b048_a048_d048_i048 } replace{ @atom:306 @atom:306_b056_a056_d056_i056 } replace{ @atom:307 @atom:307_b060_a060_d060_i060 } replace{ @atom:308 @atom:308_b060_a060_d060_i060 } replace{ @atom:309 @atom:309_b003_a003_d003_i003 } replace{ @atom:310 @atom:310_b045_a045_d045_i045 } replace{ @atom:311 @atom:311_b055_a055_d055_i055 } replace{ @atom:312 @atom:312_b045_a045_d045_i045 } replace{ @atom:313 @atom:313_b004_a004_d004_i004 } replace{ @atom:314 @atom:314_b013_a013_d013_i013 } replace{ @atom:315 @atom:315_b046_a046_d046_i046 } replace{ @atom:316 @atom:316_b013_a013_d013_i013 } replace{ @atom:317 @atom:317_b046_a046_d046_i046 } replace{ @atom:318 @atom:318_b013_a013_d013_i013 } replace{ @atom:319 @atom:319_b046_a046_d046_i046 } replace{ @atom:320 @atom:320_b057_a057_d057_i057 } replace{ @atom:321 @atom:321_b003_a003_d003_i003 } replace{ @atom:322 @atom:322_b057_a057_d057_i057 } replace{ @atom:323 @atom:323_b048_a048_d048_i048 } replace{ @atom:324 @atom:324_b047_a047_d047_i047 } replace{ @atom:325 @atom:325_b047_a047_d047_i047 } replace{ @atom:326 @atom:326_b045_a045_d045_i045 } replace{ @atom:327 @atom:327_b004_a004_d004_i004 } replace{ @atom:328 @atom:328_b045_a045_d045_i045 } replace{ @atom:329 @atom:329_b055_a055_d055_i055 } replace{ @atom:330 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@atom:603_b013_a013_d013_i013 } replace{ @atom:604 @atom:604_b049_a049_d049_i049 } replace{ @atom:605 @atom:605_b049_a049_d049_i049 } replace{ @atom:606 @atom:606_b049_a049_d049_i049 } replace{ @atom:607 @atom:607_b046_a046_d046_i046 } replace{ @atom:608 @atom:608_b013_a013_d013_i013 } replace{ @atom:609 @atom:609_b013_a013_d013_i013 } replace{ @atom:610 @atom:610_b013_a013_d013_i013 } replace{ @atom:611 @atom:611_b013_a013_d013_i013 } replace{ @atom:612 @atom:612_b013_a013_d013_i013 } replace{ @atom:613 @atom:613_b013_a013_d013_i013 } replace{ @atom:614 @atom:614_b013_a013_d013_i013 } replace{ @atom:615 @atom:615_b013_a013_d013_i013 } replace{ @atom:616 @atom:616_b013_a013_d013_i013 } replace{ @atom:617 @atom:617_b013_a013_d013_i013 } replace{ @atom:618 @atom:618_b013_a013_d013_i013 } replace{ @atom:619 @atom:619_b013_a013_d013_i013 } replace{ @atom:620 @atom:620_b013_a013_d013_i013 } replace{ @atom:621 @atom:621_b013_a013_d013_i013 } replace{ @atom:622 @atom:622_b013_a013_d013_i013 } replace{ @atom:623 @atom:623_b015_a015_d015_i015 } replace{ @atom:624 @atom:624_b017_a017_d017_i017 } replace{ @atom:625 @atom:625_b048_a048_d048_i048 } replace{ @atom:626 @atom:626_b089_a089_d089_i089 } replace{ @atom:627 @atom:627_b090_a090_d090_i090 } replace{ @atom:628 @atom:628_b091_a091_d091_i091 } replace{ @atom:629 @atom:629_b091_a091_d091_i091 } replace{ @atom:630 @atom:630_b013_a013_d013_i013 } replace{ @atom:631 @atom:631_b086_a086_d086_i086 } replace{ @atom:632 @atom:632_b086_a086_d086_i086 } replace{ @atom:633 @atom:633_b086_a086_d086_i086 } replace{ @atom:634 @atom:634_b086_a086_d086_i086 } replace{ @atom:635 @atom:635_b086_a086_d086_i086 } replace{ @atom:636 @atom:636_b086_a086_d086_i086 } replace{ @atom:637 @atom:637_b016_a016_d016_i016 } replace{ @atom:638 @atom:638_b092_a092_d092_i092 } replace{ @atom:639 @atom:639_b093_a093_d093_i093 } replace{ @atom:640 @atom:640_b094_a094_d094_i094 } replace{ @atom:641 @atom:641_b095_a095_d095_i095 } replace{ @atom:642 @atom:642_b013_a013_d013_i013 } replace{ @atom:643 @atom:643_b046_a046_d046_i046 } replace{ @atom:644 @atom:644_b096_a096_d096_i096 } replace{ @atom:645 @atom:645_b097_a097_d097_i097 } replace{ @atom:646 @atom:646_b098_a098_d098_i098 } replace{ @atom:647 @atom:647_b099_a099_d099_i099 } replace{ @atom:648 @atom:648_b100_a100_d100_i100 } replace{ @atom:649 @atom:649_b047_a047_d047_i047 } replace{ @atom:650 @atom:650_b021_a021_d021_i021 } replace{ @atom:651 @atom:651_b046_a046_d046_i046 } replace{ @atom:652 @atom:652_b091_a091_d091_i091 } replace{ @atom:653 @atom:653_b091_a091_d091_i091 } replace{ @atom:654 @atom:654_b091_a091_d091_i091 } replace{ @atom:655 @atom:655_b048_a048_d048_i048 } replace{ @atom:656 @atom:656_b049_a049_d049_i049 } replace{ @atom:657 @atom:657_b048_a048_d048_i048 } replace{ @atom:658 @atom:658_b049_a049_d049_i049 } replace{ @atom:659 @atom:659_b048_a048_d048_i048 } replace{ @atom:660 @atom:660_b001_a001_d001_i001 } replace{ @atom:661 @atom:661_b048_a048_d048_i048 } replace{ @atom:662 @atom:662_b001_a001_d001_i001 } replace{ @atom:663 @atom:663_b065_a065_d065_i065 } replace{ @atom:664 @atom:664_b002_a002_d002_i002 } replace{ @atom:665 @atom:665_b048_a048_d048_i048 } replace{ @atom:666 @atom:666_b013_a013_d013_i013 } replace{ @atom:667 @atom:667_b001_a001_d001_i001 } replace{ @atom:668 @atom:668_b048_a048_d048_i048 } replace{ @atom:669 @atom:669_b001_a001_d001_i001 } replace{ @atom:670 @atom:670_b048_a048_d048_i048 } replace{ @atom:671 @atom:671_b065_a065_d065_i065 } replace{ @atom:672 @atom:672_b048_a048_d048_i048 } replace{ @atom:673 @atom:673_b066_a066_d066_i066 } replace{ @atom:674 @atom:674_b091_a091_d091_i091 } replace{ @atom:675 @atom:675_b015_a015_d015_i015 } replace{ @atom:676 @atom:676_b048_a048_d048_i048 } replace{ @atom:677 @atom:677_b048_a048_d048_i048 } replace{ @atom:678 @atom:678_b048_a048_d048_i048 } replace{ @atom:679 @atom:679_b048_a048_d048_i048 } replace{ @atom:680 @atom:680_b048_a048_d048_i048 } replace{ @atom:681 @atom:681_b049_a049_d049_i049 } replace{ @atom:682 @atom:682_b049_a049_d049_i049 } replace{ @atom:683 @atom:683_b048_a048_d048_i048 } replace{ @atom:684 @atom:684_b055_a055_d055_i055 } replace{ @atom:685 @atom:685_b045_a045_d045_i045 } replace{ @atom:686 @atom:686_b045_a045_d045_i045 } replace{ @atom:687 @atom:687_b049_a049_d049_i049 } replace{ @atom:688 @atom:688_b013_a013_d013_i013 } replace{ @atom:689 @atom:689_b013_a013_d013_i013 } replace{ @atom:690 @atom:690_b101_a101_d101_i101 } replace{ @atom:691 @atom:691_b056_a056_d056_i056 } replace{ @atom:692 @atom:692_b101_a101_d101_i101 } replace{ @atom:693 @atom:693_b048_a048_d048_i048 } replace{ @atom:694 @atom:694_b018_a018_d018_i018 } replace{ @atom:695 @atom:695_b019_a019_d019_i019 } replace{ @atom:696 @atom:696_b013_a013_d013_i013 } replace{ @atom:697 @atom:697_b013_a013_d013_i013 } replace{ @atom:698 @atom:698_b013_a013_d013_i013 } replace{ @atom:699 @atom:699_b013_a013_d013_i013 } replace{ @atom:700 @atom:700_b046_a046_d046_i046 } replace{ @atom:701 @atom:701_b102_a102_d102_i102 } replace{ @atom:702 @atom:702_b103_a103_d103_i103 } replace{ @atom:703 @atom:703_b013_a013_d013_i013 } replace{ @atom:704 @atom:704_b046_a046_d046_i046 } replace{ @atom:705 @atom:705_b013_a013_d013_i013 } replace{ @atom:706 @atom:706_b013_a013_d013_i013 } replace{ @atom:707 @atom:707_b013_a013_d013_i013 } replace{ @atom:708 @atom:708_b102_a102_d102_i102 } replace{ @atom:709 @atom:709_b048_a048_d048_i048 } replace{ @atom:710 @atom:710_b013_a013_d013_i013 } replace{ @atom:711 @atom:711_b056_a056_d056_i056 } replace{ @atom:712 @atom:712_b004_a004_d004_i004 } replace{ @atom:713 @atom:713_b003_a003_d003_i003 } replace{ @atom:714 @atom:714_b020_a020_d020_i020 } replace{ @atom:715 @atom:715_b013_a013_d013_i013 } replace{ @atom:716 @atom:716_b013_a013_d013_i013 } replace{ @atom:717 @atom:717_b013_a013_d013_i013 } replace{ @atom:718 @atom:718_b046_a046_d046_i046 } replace{ @atom:719 @atom:719_b046_a046_d046_i046 } replace{ @atom:720 @atom:720_b046_a046_d046_i046 } replace{ @atom:721 @atom:721_b020_a020_d020_i020 } replace{ @atom:722 @atom:722_b104_a104_d104_i104 } replace{ @atom:723 @atom:723_b013_a013_d013_i013 } replace{ @atom:724 @atom:724_b013_a013_d013_i013 } replace{ @atom:725 @atom:725_b046_a046_d046_i046 } replace{ @atom:726 @atom:726_b064_a064_d064_i064 } replace{ @atom:727 @atom:727_b001_a001_d001_i001 } replace{ @atom:728 @atom:728_b024_a024_d024_i024 } replace{ @atom:729 @atom:729_b004_a004_d004_i004 } replace{ @atom:730 @atom:730_b044_a044_d044_i044 } replace{ @atom:731 @atom:731_b044_a044_d044_i044 } replace{ @atom:732 @atom:732_b044_a044_d044_i044 } replace{ @atom:733 @atom:733_b013_a013_d013_i013 } replace{ @atom:734 @atom:734_b013_a013_d013_i013 } replace{ @atom:735 @atom:735_b013_a013_d013_i013 } replace{ @atom:736 @atom:736_b013_a013_d013_i013 } replace{ @atom:737 @atom:737_b013_a013_d013_i013 } replace{ @atom:738 @atom:738_b013_a013_d013_i013 } replace{ @atom:739 @atom:739_b045_a045_d045_i045 } replace{ @atom:740 @atom:740_b045_a045_d045_i045 } replace{ @atom:741 @atom:741_b046_a046_d046_i046 } replace{ @atom:742 @atom:742_b013_a013_d013_i013 } replace{ @atom:743 @atom:743_b013_a013_d013_i013 } replace{ @atom:744 @atom:744_b013_a013_d013_i013 } replace{ @atom:745 @atom:745_b013_a013_d013_i013 } replace{ @atom:746 @atom:746_b048_a048_d048_i048 } replace{ @atom:747 @atom:747_b048_a048_d048_i048 } replace{ @atom:748 @atom:748_b048_a048_d048_i048 } replace{ @atom:749 @atom:749_b013_a013_d013_i013 } replace{ @atom:750 @atom:750_b013_a013_d013_i013 } replace{ @atom:751 @atom:751_b013_a013_d013_i013 } replace{ @atom:752 @atom:752_b013_a013_d013_i013 } replace{ @atom:753 @atom:753_b013_a013_d013_i013 } replace{ @atom:754 @atom:754_b013_a013_d013_i013 } replace{ @atom:755 @atom:755_b019_a019_d019_i019 } replace{ @atom:756 @atom:756_b046_a046_d046_i046 } replace{ @atom:757 @atom:757_b019_a019_d019_i019 } replace{ @atom:758 @atom:758_b019_a019_d019_i019 } replace{ @atom:759 @atom:759_b019_a019_d019_i019 } replace{ @atom:760 @atom:760_b046_a046_d046_i046 } replace{ @atom:761 @atom:761_b051_a051_d051_i051 } replace{ @atom:762 @atom:762_b051_a051_d051_i051 } replace{ @atom:763 @atom:763_b051_a051_d051_i051 } replace{ @atom:764 @atom:764_b005_a005_d005_i005 } replace{ @atom:765 @atom:765_b007_a007_d007_i007 } replace{ @atom:766 @atom:766_b105_a105_d105_i105 } replace{ @atom:767 @atom:767_b105_a105_d105_i105 } replace{ @atom:768 @atom:768_b105_a105_d105_i105 } replace{ @atom:769 @atom:769_b019_a019_d019_i019 } replace{ @atom:770 @atom:770_b053_a053_d053_i053 } replace{ @atom:771 @atom:771_b054_a054_d054_i054 } replace{ @atom:772 @atom:772_b013_a013_d013_i013 } replace{ @atom:773 @atom:773_b013_a013_d013_i013 } replace{ @atom:774 @atom:774_b013_a013_d013_i013 } replace{ @atom:775 @atom:775_b013_a013_d013_i013 } replace{ @atom:776 @atom:776_b084_a084_d084_i084 } replace{ @atom:777 @atom:777_b087_a087_d087_i087 } replace{ @atom:778 @atom:778_b086_a086_d086_i086 } replace{ @atom:779 @atom:779_b086_a086_d086_i086 } replace{ @atom:780 @atom:780_b046_a046_d046_i046 } replace{ @atom:781 @atom:781_b013_a013_d013_i013 } replace{ @atom:782 @atom:782_b003_a003_d003_i003 } replace{ @atom:783 @atom:783_b053_a053_d053_i053 } replace{ @atom:784 @atom:784_b052_a052_d052_i052 } replace{ @atom:785 @atom:785_b054_a054_d054_i054 } replace{ @atom:786 @atom:786_b001_a001_d001_i001 } replace{ @atom:787 @atom:787_b013_a013_d013_i013 } replace{ @atom:788 @atom:788_b046_a046_d046_i046 } replace{ @atom:789 @atom:789_b013_a013_d013_i013 } replace{ @atom:790 @atom:790_b013_a013_d013_i013 } replace{ @atom:791 @atom:791_b013_a013_d013_i013 } replace{ @atom:792 @atom:792_b013_a013_d013_i013 } replace{ @atom:793 @atom:793_b013_a013_d013_i013 } replace{ @atom:794 @atom:794_b013_a013_d013_i013 } replace{ @atom:795 @atom:795_b001_a001_d001_i001 } replace{ @atom:796 @atom:796_b013_a013_d013_i013 } replace{ @atom:797 @atom:797_b046_a046_d046_i046 } replace{ @atom:798 @atom:798_b013_a013_d013_i013 } replace{ @atom:799 @atom:799_b013_a013_d013_i013 } replace{ @atom:800 @atom:800_b021_a021_d021_i021 } replace{ @atom:801 @atom:801_b013_a013_d013_i013 } replace{ @atom:802 @atom:802_b046_a046_d046_i046 } replace{ @atom:803 @atom:803_b013_a013_d013_i013 } replace{ @atom:804 @atom:804_b013_a013_d013_i013 } replace{ @atom:805 @atom:805_b065_a065_d065_i065 } replace{ @atom:806 @atom:806_b013_a013_d013_i013 } replace{ @atom:807 @atom:807_b046_a046_d046_i046 } replace{ @atom:808 @atom:808_b013_a013_d013_i013 } replace{ @atom:809 @atom:809_b013_a013_d013_i013 } replace{ @atom:810 @atom:810_b001_a001_d001_i001 } replace{ @atom:811 @atom:811_b021_a021_d021_i021 } replace{ @atom:812 @atom:812_b065_a065_d065_i065 } replace{ @atom:813 @atom:813_b048_a048_d048_i048 } replace{ @atom:814 @atom:814_b020_a020_d020_i020 } replace{ @atom:815 @atom:815_b013_a013_d013_i013 } replace{ @atom:816 @atom:816_b001_a001_d001_i001 } replace{ @atom:817 @atom:817_b024_a024_d024_i024 } replace{ @atom:818 @atom:818_b048_a048_d048_i048 } replace{ @atom:819 @atom:819_b013_a013_d013_i013 } replace{ @atom:820 @atom:820_b003_a003_d003_i003 } replace{ @atom:821 @atom:821_b003_a003_d003_i003 } replace{ @atom:822 @atom:822_b004_a004_d004_i004 } replace{ @atom:823 @atom:823_b024_a024_d024_i024 } replace{ @atom:824 @atom:824_b045_a045_d045_i045 } replace{ @atom:825 @atom:825_b005_a005_d005_i005 } replace{ @atom:826 @atom:826_b007_a007_d007_i007 } replace{ @atom:827 @atom:827_b013_a013_d013_i013 } replace{ @atom:828 @atom:828_b013_a013_d013_i013 } replace{ @atom:829 @atom:829_b086_a086_d086_i086 } replace{ @atom:830 @atom:830_b086_a086_d086_i086 } replace{ @atom:831 @atom:831_b086_a086_d086_i086 } replace{ @atom:832 @atom:832_b086_a086_d086_i086 } replace{ @atom:833 @atom:833_b048_a048_d048_i048 } replace{ @atom:834 @atom:834_b106_a106_d106_i106 } replace{ @atom:835 @atom:835_b013_a013_d013_i013 } replace{ @atom:836 @atom:836_b013_a013_d013_i013 } replace{ @atom:837 @atom:837_b013_a013_d013_i013 } replace{ @atom:838 @atom:838_b066_a066_d066_i066 } replace{ @atom:839 @atom:839_b046_a046_d046_i046 } replace{ @atom:840 @atom:840_b024_a024_d024_i024 } replace{ @atom:841 @atom:841_b048_a048_d048_i048 } replace{ @atom:842 @atom:842_b048_a048_d048_i048 } replace{ @atom:843 @atom:843_b024_a024_d024_i024 } replace{ @atom:844 @atom:844_b048_a048_d048_i048 } replace{ @atom:845 @atom:845_b003_a003_d003_i003 } replace{ @atom:846 @atom:846_b004_a004_d004_i004 } replace{ @atom:847 @atom:847_b107_a107_d107_i107 } replace{ @atom:848 @atom:848_b013_a013_d013_i013 } replace{ @atom:849 @atom:849_b013_a013_d013_i013 } replace{ @atom:850 @atom:850_b013_a013_d013_i013 } replace{ @atom:851 @atom:851_b013_a013_d013_i013 } replace{ @atom:852 @atom:852_b046_a046_d046_i046 } replace{ @atom:853 @atom:853_b003_a003_d003_i003 } replace{ @atom:854 @atom:854_b004_a004_d004_i004 } replace{ @atom:855 @atom:855_b046_a046_d046_i046 } replace{ @atom:856 @atom:856_b013_a013_d013_i013 } replace{ @atom:857 @atom:857_b013_a013_d013_i013 } replace{ @atom:858 @atom:858_b013_a013_d013_i013 } replace{ @atom:859 @atom:859_b013_a013_d013_i013 } replace{ @atom:860 @atom:860_b013_a013_d013_i013 } replace{ @atom:861 @atom:861_b013_a013_d013_i013 } replace{ @atom:862 @atom:862_b013_a013_d013_i013 } replace{ @atom:863 @atom:863_b013_a013_d013_i013 } replace{ @atom:864 @atom:864_b013_a013_d013_i013 } replace{ @atom:865 @atom:865_b013_a013_d013_i013 } replace{ @atom:866 @atom:866_b108_a108_d108_i108 } replace{ @atom:867 @atom:867_b108_a108_d108_i108 } replace{ @atom:868 @atom:868_b108_a108_d108_i108 } replace{ @atom:869 @atom:869_b108_a108_d108_i108 } replace{ @atom:870 @atom:870_b045_a045_d045_i045 } replace{ @atom:871 @atom:871_b013_a013_d013_i013 } replace{ @atom:872 @atom:872_b013_a013_d013_i013 } replace{ @atom:873 @atom:873_b013_a013_d013_i013 } replace{ @atom:874 @atom:874_b013_a013_d013_i013 } replace{ @atom:875 @atom:875_b001_a001_d001_i001 } replace{ @atom:876 @atom:876_b021_a021_d021_i021 } replace{ @atom:877 @atom:877_b065_a065_d065_i065 } replace{ @atom:878 @atom:878_b066_a066_d066_i066 } replace{ @atom:879 @atom:879_b068_a068_d068_i068 } replace{ @atom:880 @atom:880_b069_a069_d069_i069 } replace{ @atom:881 @atom:881_b070_a070_d070_i070 } replace{ @atom:882 @atom:882_b071_a071_d071_i071 } replace{ @atom:883 @atom:883_b072_a072_d072_i072 } replace{ @atom:884 @atom:884_b073_a073_d073_i073 } replace{ @atom:885 @atom:885_b074_a074_d074_i074 } replace{ @atom:886 @atom:886_b075_a075_d075_i075 } replace{ @atom:887 @atom:887_b076_a076_d076_i076 } replace{ @atom:888 @atom:888_b013_a013_d013_i013 } replace{ @atom:889 @atom:889_b013_a013_d013_i013 } replace{ @atom:890 @atom:890_b013_a013_d013_i013 } replace{ @atom:891 @atom:891_b013_a013_d013_i013 } replace{ @atom:892 @atom:892_b046_a046_d046_i046 } replace{ @atom:893 @atom:893_b053_a053_d053_i053 } replace{ @atom:894 @atom:894_b048_a048_d048_i048 } replace{ @atom:895 @atom:895_b053_a053_d053_i053 } replace{ @atom:896 @atom:896_b048_a048_d048_i048 } replace{ @atom:897 @atom:897_b109_a109_d109_i109 } replace{ @atom:898 @atom:898_b109_a109_d109_i109 } replace{ @atom:899 @atom:899_b046_a046_d046_i046 } replace{ @atom:900 @atom:900_b047_a047_d047_i047 } replace{ @atom:901 @atom:901_b047_a047_d047_i047 } replace{ @atom:902 @atom:902_b047_a047_d047_i047 } replace{ @atom:903 @atom:903_b110_a110_d110_i110 } replace{ @atom:904 @atom:904_b110_a110_d110_i110 } replace{ @atom:905 @atom:905_b004_a004_d004_i004 } replace{ @atom:906 @atom:906_b013_a013_d013_i013 } # --------------- Non-Bonded interactions: --------------------- # http://lammps.sandia.gov/doc/pair_lj.html # Syntax: # pair_coeff AtomType1 AtomType2 parameters... write_once("In Settings") { pair_coeff @atom:1_b001_a001_d001_i001 @atom:1_b001_a001_d001_i001 0.061 2.94 pair_coeff @atom:2_b002_a002_d002_i002 @atom:2_b002_a002_d002_i002 0.118 3.905 pair_coeff @atom:3_b003_a003_d003_i003 @atom:3_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:4_b004_a004_d004_i004 @atom:4_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:5_b005_a005_d005_i005 @atom:5_b005_a005_d005_i005 0.17 3.0 pair_coeff @atom:6_b006_a006_d006_i006 @atom:6_b006_a006_d006_i006 0.16 3.91 pair_coeff @atom:7_b007_a007_d007_i007 @atom:7_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:8_b008_a008_d008_i008 @atom:8_b008_a008_d008_i008 0.294 3.73 pair_coeff @atom:9_b006_a006_d006_i006 @atom:9_b006_a006_d006_i006 0.207 3.775 pair_coeff @atom:10_b006_a006_d006_i006 @atom:10_b006_a006_d006_i006 0.175 3.905 pair_coeff @atom:11_b006_a006_d006_i006 @atom:11_b006_a006_d006_i006 0.16 3.91 pair_coeff @atom:12_b006_a006_d006_i006 @atom:12_b006_a006_d006_i006 0.145 3.96 pair_coeff @atom:13_b002_a002_d002_i002 @atom:13_b002_a002_d002_i002 0.118 3.905 pair_coeff @atom:14_b009_a009_d009_i009 @atom:14_b009_a009_d009_i009 0.14 3.85 pair_coeff @atom:15_b010_a010_d010_i010 @atom:15_b010_a010_d010_i010 0.08 3.85 pair_coeff @atom:16_b011_a011_d011_i011 @atom:16_b011_a011_d011_i011 0.115 3.8 pair_coeff @atom:17_b012_a012_d012_i012 @atom:17_b012_a012_d012_i012 0.11 3.75 pair_coeff @atom:18_b013_a013_d013_i013 @atom:18_b013_a013_d013_i013 0.05 3.8 pair_coeff @atom:19_b014_a014_d014_i014 @atom:19_b014_a014_d014_i014 0.105 3.75 pair_coeff @atom:20_b005_a005_d005_i005 @atom:20_b005_a005_d005_i005 0.17 3.07 pair_coeff @atom:21_b007_a007_d007_i007 @atom:21_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:22_b006_a006_d006_i006 @atom:22_b006_a006_d006_i006 0.207 3.775 pair_coeff @atom:23_b002_a002_d002_i002 @atom:23_b002_a002_d002_i002 0.118 3.905 pair_coeff @atom:24_b015_a015_d015_i015 @atom:24_b015_a015_d015_i015 0.25 3.7 pair_coeff @atom:25_b015_a015_d015_i015 @atom:25_b015_a015_d015_i015 0.25 3.55 pair_coeff @atom:26_b016_a016_d016_i016 @atom:26_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:27_b016_a016_d016_i016 @atom:27_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:28_b017_a017_d017_i017 @atom:28_b017_a017_d017_i017 0.0 0.0 pair_coeff @atom:29_b017_a017_d017_i017 @atom:29_b017_a017_d017_i017 0.0 0.0 pair_coeff @atom:30_b006_a006_d006_i006 @atom:30_b006_a006_d006_i006 0.207 3.775 pair_coeff @atom:31_b002_a002_d002_i002 @atom:31_b002_a002_d002_i002 0.118 3.905 pair_coeff @atom:32_b006_a006_d006_i006 @atom:32_b006_a006_d006_i006 0.17 3.8 pair_coeff @atom:33_b002_a002_d002_i002 @atom:33_b002_a002_d002_i002 0.118 3.8 pair_coeff @atom:34_b006_a006_d006_i006 @atom:34_b006_a006_d006_i006 0.17 3.8 pair_coeff @atom:35_b002_a002_d002_i002 @atom:35_b002_a002_d002_i002 0.118 3.8 pair_coeff @atom:36_b018_a018_d018_i018 @atom:36_b018_a018_d018_i018 0.17 3.2 pair_coeff @atom:37_b019_a019_d019_i019 @atom:37_b019_a019_d019_i019 0.15 3.65 pair_coeff @atom:38_b006_a006_d006_i006 @atom:38_b006_a006_d006_i006 0.207 3.775 pair_coeff @atom:39_b010_a010_d010_i010 @atom:39_b010_a010_d010_i010 0.08 3.85 pair_coeff @atom:40_b013_a013_d013_i013 @atom:40_b013_a013_d013_i013 0.05 3.8 pair_coeff @atom:41_b020_a020_d020_i020 @atom:41_b020_a020_d020_i020 0.17 3.0 pair_coeff @atom:42_b006_a006_d006_i006 @atom:42_b006_a006_d006_i006 0.17 3.8 pair_coeff @atom:43_b002_a002_d002_i002 @atom:43_b002_a002_d002_i002 0.118 3.8 pair_coeff @atom:44_b002_a002_d002_i002 @atom:44_b002_a002_d002_i002 0.118 3.8 pair_coeff @atom:45_b021_a021_d021_i021 @atom:45_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:46_b010_a010_d010_i010 @atom:46_b010_a010_d010_i010 0.08 3.8 pair_coeff @atom:47_b021_a021_d021_i021 @atom:47_b021_a021_d021_i021 0.3 3.47 pair_coeff @atom:48_b013_a013_d013_i013 @atom:48_b013_a013_d013_i013 0.05 3.8 pair_coeff @atom:49_b021_a021_d021_i021 @atom:49_b021_a021_d021_i021 0.266 3.47 pair_coeff @atom:50_b022_a022_d022_i022 @atom:50_b022_a022_d022_i022 0.395 3.56 pair_coeff @atom:51_b023_a023_d023_i023 @atom:51_b023_a023_d023_i023 0.28 2.93 pair_coeff @atom:52_b006_a006_d006_i006 @atom:52_b006_a006_d006_i006 0.16 3.81 pair_coeff @atom:53_b004_a004_d004_i004 @atom:53_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:54_b024_a024_d024_i024 @atom:54_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:55_b003_a003_d003_i003 @atom:55_b003_a003_d003_i003 0.115 3.8 pair_coeff @atom:56_b006_a006_d006_i006 @atom:56_b006_a006_d006_i006 0.17 3.8 pair_coeff @atom:57_b025_a025_d025_i025 @atom:57_b025_a025_d025_i025 0.0 0.0 pair_coeff @atom:58_b026_a026_d026_i026 @atom:58_b026_a026_d026_i026 0.02 2.556 pair_coeff @atom:59_b027_a027_d027_i027 @atom:59_b027_a027_d027_i027 0.069 2.78 pair_coeff @atom:60_b028_a028_d028_i028 @atom:60_b028_a028_d028_i028 0.2339 3.401 pair_coeff @atom:61_b029_a029_d029_i029 @atom:61_b029_a029_d029_i029 0.317 3.624 pair_coeff @atom:62_b030_a030_d030_i030 @atom:62_b030_a030_d030_i030 0.433 3.935 pair_coeff @atom:63_b031_a031_d031_i031 @atom:63_b031_a031_d031_i031 0.1521 3.15061 pair_coeff @atom:64_b032_a032_d032_i032 @atom:64_b032_a032_d032_i032 0.0 0.0 pair_coeff @atom:65_b031_a031_d031_i031 @atom:65_b031_a031_d031_i031 0.155 3.15365 pair_coeff @atom:66_b032_a032_d032_i032 @atom:66_b032_a032_d032_i032 0.0 0.0 pair_coeff @atom:67_b033_a033_d033_i033 @atom:67_b033_a033_d033_i033 0.0 0.0 pair_coeff @atom:68_b034_a034_d034_i034 @atom:68_b034_a034_d034_i034 0.15 3.176 pair_coeff @atom:69_b035_a035_d035_i035 @atom:69_b035_a035_d035_i035 0.0 0.0 pair_coeff @atom:70_b036_a036_d036_i036 @atom:70_b036_a036_d036_i036 0.1 3.27 pair_coeff @atom:71_b037_a037_d037_i037 @atom:71_b037_a037_d037_i037 0.0 0.0 pair_coeff @atom:72_b038_a038_d038_i038 @atom:72_b038_a038_d038_i038 0.0 0.0 pair_coeff @atom:73_b039_a039_d039_i039 @atom:73_b039_a039_d039_i039 0.16 3.12 pair_coeff @atom:74_b040_a040_d040_i040 @atom:74_b040_a040_d040_i040 0.0 0.0 pair_coeff @atom:75_b041_a041_d041_i041 @atom:75_b041_a041_d041_i041 0.0 0.0 pair_coeff @atom:76_b042_a042_d042_i042 @atom:76_b042_a042_d042_i042 0.1554 3.16557 pair_coeff @atom:77_b043_a043_d043_i043 @atom:77_b043_a043_d043_i043 0.0 0.0 pair_coeff @atom:78_b044_a044_d044_i044 @atom:78_b044_a044_d044_i044 0.17 3.42 pair_coeff @atom:79_b045_a045_d045_i045 @atom:79_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:80_b013_a013_d013_i013 @atom:80_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:81_b013_a013_d013_i013 @atom:81_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:82_b013_a013_d013_i013 @atom:82_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:83_b013_a013_d013_i013 @atom:83_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:84_b013_a013_d013_i013 @atom:84_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:85_b046_a046_d046_i046 @atom:85_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:86_b047_a047_d047_i047 @atom:86_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:87_b047_a047_d047_i047 @atom:87_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:88_b047_a047_d047_i047 @atom:88_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:89_b046_a046_d046_i046 @atom:89_b046_a046_d046_i046 0.03 2.42 pair_coeff @atom:90_b048_a048_d048_i048 @atom:90_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:91_b049_a049_d049_i049 @atom:91_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:92_b048_a048_d048_i048 @atom:92_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:93_b013_a013_d013_i013 @atom:93_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:94_b013_a013_d013_i013 @atom:94_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:95_b050_a050_d050_i050 @atom:95_b050_a050_d050_i050 0.076 3.55 pair_coeff @atom:96_b005_a005_d005_i005 @atom:96_b005_a005_d005_i005 0.17 3.12 pair_coeff @atom:97_b007_a007_d007_i007 @atom:97_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:98_b046_a046_d046_i046 @atom:98_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:99_b013_a013_d013_i013 @atom:99_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:100_b013_a013_d013_i013 @atom:100_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:101_b013_a013_d013_i013 @atom:101_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:102_b013_a013_d013_i013 @atom:102_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:103_b013_a013_d013_i013 @atom:103_b013_a013_d013_i013 0.062 3.25 pair_coeff @atom:104_b005_a005_d005_i005 @atom:104_b005_a005_d005_i005 0.17 3.07 pair_coeff @atom:105_b007_a007_d007_i007 @atom:105_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:106_b001_a001_d001_i001 @atom:106_b001_a001_d001_i001 0.061 2.94 pair_coeff @atom:107_b046_a046_d046_i046 @atom:107_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:108_b048_a048_d048_i048 @atom:108_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:109_b005_a005_d005_i005 @atom:109_b005_a005_d005_i005 0.17 3.07 pair_coeff @atom:110_b007_a007_d007_i007 @atom:110_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:111_b005_a005_d005_i005 @atom:111_b005_a005_d005_i005 0.17 3.07 pair_coeff @atom:112_b007_a007_d007_i007 @atom:112_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:113_b005_a005_d005_i005 @atom:113_b005_a005_d005_i005 0.17 3.07 pair_coeff @atom:114_b007_a007_d007_i007 @atom:114_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:115_b013_a013_d013_i013 @atom:115_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:116_b013_a013_d013_i013 @atom:116_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:117_b013_a013_d013_i013 @atom:117_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:118_b046_a046_d046_i046 @atom:118_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:119_b020_a020_d020_i020 @atom:119_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:120_b050_a050_d050_i050 @atom:120_b050_a050_d050_i050 0.076 3.55 pair_coeff @atom:121_b020_a020_d020_i020 @atom:121_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:122_b020_a020_d020_i020 @atom:122_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:123_b013_a013_d013_i013 @atom:123_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:124_b013_a013_d013_i013 @atom:124_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:125_b013_a013_d013_i013 @atom:125_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:126_b013_a013_d013_i013 @atom:126_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:127_b046_a046_d046_i046 @atom:127_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:128_b020_a020_d020_i020 @atom:128_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:129_b005_a005_d005_i005 @atom:129_b005_a005_d005_i005 0.17 3.07 pair_coeff @atom:130_b007_a007_d007_i007 @atom:130_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:131_b051_a051_d051_i051 @atom:131_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:132_b046_a046_d046_i046 @atom:132_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:133_b051_a051_d051_i051 @atom:133_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:134_b046_a046_d046_i046 @atom:134_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:135_b051_a051_d051_i051 @atom:135_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:136_b046_a046_d046_i046 @atom:136_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:137_b051_a051_d051_i051 @atom:137_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:138_b046_a046_d046_i046 @atom:138_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:139_b051_a051_d051_i051 @atom:139_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:140_b051_a051_d051_i051 @atom:140_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:141_b048_a048_d048_i048 @atom:141_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:142_b015_a015_d015_i015 @atom:142_b015_a015_d015_i015 0.25 3.55 pair_coeff @atom:143_b015_a015_d015_i015 @atom:143_b015_a015_d015_i015 0.25 3.7 pair_coeff @atom:144_b016_a016_d016_i016 @atom:144_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:145_b016_a016_d016_i016 @atom:145_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:146_b017_a017_d017_i017 @atom:146_b017_a017_d017_i017 0.0 0.0 pair_coeff @atom:147_b017_a017_d017_i017 @atom:147_b017_a017_d017_i017 0.0 0.0 pair_coeff @atom:148_b013_a013_d013_i013 @atom:148_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:149_b013_a013_d013_i013 @atom:149_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:150_b013_a013_d013_i013 @atom:150_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:151_b013_a013_d013_i013 @atom:151_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:152_b013_a013_d013_i013 @atom:152_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:153_b013_a013_d013_i013 @atom:153_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:154_b013_a013_d013_i013 @atom:154_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:155_b013_a013_d013_i013 @atom:155_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:156_b013_a013_d013_i013 @atom:156_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:157_b013_a013_d013_i013 @atom:157_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:158_b013_a013_d013_i013 @atom:158_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:159_b013_a013_d013_i013 @atom:159_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:160_b013_a013_d013_i013 @atom:160_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:161_b013_a013_d013_i013 @atom:161_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:162_b013_a013_d013_i013 @atom:162_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:163_b048_a048_d048_i048 @atom:163_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:164_b016_a016_d016_i016 @atom:164_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:165_b013_a013_d013_i013 @atom:165_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:166_b013_a013_d013_i013 @atom:166_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:167_b013_a013_d013_i013 @atom:167_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:168_b021_a021_d021_i021 @atom:168_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:169_b047_a047_d047_i047 @atom:169_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:170_b048_a048_d048_i048 @atom:170_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:171_b013_a013_d013_i013 @atom:171_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:172_b013_a013_d013_i013 @atom:172_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:173_b003_a003_d003_i003 @atom:173_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:174_b003_a003_d003_i003 @atom:174_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:175_b003_a003_d003_i003 @atom:175_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:176_b003_a003_d003_i003 @atom:176_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:177_b003_a003_d003_i003 @atom:177_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:178_b004_a004_d004_i004 @atom:178_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:179_b024_a024_d024_i024 @atom:179_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:180_b024_a024_d024_i024 @atom:180_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:181_b024_a024_d024_i024 @atom:181_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:182_b045_a045_d045_i045 @atom:182_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:183_b045_a045_d045_i045 @atom:183_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:184_b013_a013_d013_i013 @atom:184_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:185_b013_a013_d013_i013 @atom:185_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:186_b013_a013_d013_i013 @atom:186_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:187_b013_a013_d013_i013 @atom:187_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:188_b013_a013_d013_i013 @atom:188_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:189_b003_a003_d003_i003 @atom:189_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:190_b004_a004_d004_i004 @atom:190_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:191_b024_a024_d024_i024 @atom:191_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:192_b045_a045_d045_i045 @atom:192_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:193_b024_a024_d024_i024 @atom:193_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:194_b003_a003_d003_i003 @atom:194_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:195_b004_a004_d004_i004 @atom:195_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:196_b045_a045_d045_i045 @atom:196_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:197_b046_a046_d046_i046 @atom:197_b046_a046_d046_i046 0.02 2.5 pair_coeff @atom:198_b013_a013_d013_i013 @atom:198_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:199_b013_a013_d013_i013 @atom:199_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:200_b013_a013_d013_i013 @atom:200_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:201_b013_a013_d013_i013 @atom:201_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:202_b048_a048_d048_i048 @atom:202_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:203_b019_a019_d019_i019 @atom:203_b019_a019_d019_i019 0.15 3.65 pair_coeff @atom:204_b018_a018_d018_i018 @atom:204_b018_a018_d018_i018 0.17 3.2 pair_coeff @atom:205_b048_a048_d048_i048 @atom:205_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:206_b021_a021_d021_i021 @atom:206_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:207_b024_a024_d024_i024 @atom:207_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:208_b048_a048_d048_i048 @atom:208_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:209_b003_a003_d003_i003 @atom:209_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:210_b004_a004_d004_i004 @atom:210_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:211_b005_a005_d005_i005 @atom:211_b005_a005_d005_i005 0.17 3.0 pair_coeff @atom:212_b007_a007_d007_i007 @atom:212_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:213_b003_a003_d003_i003 @atom:213_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:214_b052_a052_d052_i052 @atom:214_b052_a052_d052_i052 0.21 2.96 pair_coeff @atom:215_b013_a013_d013_i013 @atom:215_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:216_b013_a013_d013_i013 @atom:216_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:217_b013_a013_d013_i013 @atom:217_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:218_b013_a013_d013_i013 @atom:218_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:219_b003_a003_d003_i003 @atom:219_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:220_b004_a004_d004_i004 @atom:220_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:221_b046_a046_d046_i046 @atom:221_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:222_b003_a003_d003_i003 @atom:222_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:223_b004_a004_d004_i004 @atom:223_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:224_b046_a046_d046_i046 @atom:224_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:225_b013_a013_d013_i013 @atom:225_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:226_b013_a013_d013_i013 @atom:226_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:227_b013_a013_d013_i013 @atom:227_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:228_b013_a013_d013_i013 @atom:228_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:229_b053_a053_d053_i053 @atom:229_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:230_b053_a053_d053_i053 @atom:230_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:231_b053_a053_d053_i053 @atom:231_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:232_b054_a054_d054_i054 @atom:232_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:233_b054_a054_d054_i054 @atom:233_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:234_b013_a013_d013_i013 @atom:234_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:235_b013_a013_d013_i013 @atom:235_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:236_b013_a013_d013_i013 @atom:236_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:237_b013_a013_d013_i013 @atom:237_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:238_b013_a013_d013_i013 @atom:238_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:239_b013_a013_d013_i013 @atom:239_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:240_b013_a013_d013_i013 @atom:240_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:241_b013_a013_d013_i013 @atom:241_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:242_b013_a013_d013_i013 @atom:242_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:243_b055_a055_d055_i055 @atom:243_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:244_b054_a054_d054_i054 @atom:244_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:245_b048_a048_d048_i048 @atom:245_b048_a048_d048_i048 0.05 3.55 pair_coeff @atom:246_b055_a055_d055_i055 @atom:246_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:247_b054_a054_d054_i054 @atom:247_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:248_b013_a013_d013_i013 @atom:248_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:249_b013_a013_d013_i013 @atom:249_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:250_b013_a013_d013_i013 @atom:250_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:251_b013_a013_d013_i013 @atom:251_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:252_b053_a053_d053_i053 @atom:252_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:253_b054_a054_d054_i054 @atom:253_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:254_b056_a056_d056_i056 @atom:254_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:255_b048_a048_d048_i048 @atom:255_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:256_b055_a055_d055_i055 @atom:256_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:257_b045_a045_d045_i045 @atom:257_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:258_b048_a048_d048_i048 @atom:258_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:259_b049_a049_d049_i049 @atom:259_b049_a049_d049_i049 0.05 2.5 pair_coeff @atom:260_b048_a048_d048_i048 @atom:260_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:261_b049_a049_d049_i049 @atom:261_b049_a049_d049_i049 0.05 2.5 pair_coeff @atom:262_b057_a057_d057_i057 @atom:262_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:263_b003_a003_d003_i003 @atom:263_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:264_b057_a057_d057_i057 @atom:264_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:265_b003_a003_d003_i003 @atom:265_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:266_b047_a047_d047_i047 @atom:266_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:267_b047_a047_d047_i047 @atom:267_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:268_b045_a045_d045_i045 @atom:268_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:269_b004_a004_d004_i004 @atom:269_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:270_b045_a045_d045_i045 @atom:270_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:271_b004_a004_d004_i004 @atom:271_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:272_b046_a046_d046_i046 @atom:272_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:273_b046_a046_d046_i046 @atom:273_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:274_b013_a013_d013_i013 @atom:274_b013_a013_d013_i013 0.08 3.5 pair_coeff @atom:275_b046_a046_d046_i046 @atom:275_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:276_b057_a057_d057_i057 @atom:276_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:277_b003_a003_d003_i003 @atom:277_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:278_b056_a056_d056_i056 @atom:278_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:279_b048_a048_d048_i048 @atom:279_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:280_b047_a047_d047_i047 @atom:280_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:281_b047_a047_d047_i047 @atom:281_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:282_b045_a045_d045_i045 @atom:282_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:283_b004_a004_d004_i004 @atom:283_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:284_b055_a055_d055_i055 @atom:284_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:285_b045_a045_d045_i045 @atom:285_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:286_b045_a045_d045_i045 @atom:286_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:287_b046_a046_d046_i046 @atom:287_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:288_b058_a058_d058_i058 @atom:288_b058_a058_d058_i058 0.05 2.5 pair_coeff @atom:289_b056_a056_d056_i056 @atom:289_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:290_b059_a059_d059_i059 @atom:290_b059_a059_d059_i059 0.08 3.5 pair_coeff @atom:291_b056_a056_d056_i056 @atom:291_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:292_b060_a060_d060_i060 @atom:292_b060_a060_d060_i060 0.08 3.5 pair_coeff @atom:293_b060_a060_d060_i060 @atom:293_b060_a060_d060_i060 0.08 3.5 pair_coeff @atom:294_b048_a048_d048_i048 @atom:294_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:295_b061_a061_d061_i061 @atom:295_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:296_b062_a062_d062_i062 @atom:296_b062_a062_d062_i062 0.08 3.5 pair_coeff @atom:297_b057_a057_d057_i057 @atom:297_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:298_b063_a063_d063_i063 @atom:298_b063_a063_d063_i063 0.05 2.5 pair_coeff @atom:299_b055_a055_d055_i055 @atom:299_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:300_b045_a045_d045_i045 @atom:300_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:301_b045_a045_d045_i045 @atom:301_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:302_b063_a063_d063_i063 @atom:302_b063_a063_d063_i063 0.05 2.5 pair_coeff @atom:303_b045_a045_d045_i045 @atom:303_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:304_b057_a057_d057_i057 @atom:304_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:305_b048_a048_d048_i048 @atom:305_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:306_b056_a056_d056_i056 @atom:306_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:307_b060_a060_d060_i060 @atom:307_b060_a060_d060_i060 0.08 3.5 pair_coeff @atom:308_b060_a060_d060_i060 @atom:308_b060_a060_d060_i060 0.08 3.5 pair_coeff @atom:309_b003_a003_d003_i003 @atom:309_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:310_b045_a045_d045_i045 @atom:310_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:311_b055_a055_d055_i055 @atom:311_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:312_b045_a045_d045_i045 @atom:312_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:313_b004_a004_d004_i004 @atom:313_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:314_b013_a013_d013_i013 @atom:314_b013_a013_d013_i013 0.08 3.5 pair_coeff @atom:315_b046_a046_d046_i046 @atom:315_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:316_b013_a013_d013_i013 @atom:316_b013_a013_d013_i013 0.08 3.5 pair_coeff @atom:317_b046_a046_d046_i046 @atom:317_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:318_b013_a013_d013_i013 @atom:318_b013_a013_d013_i013 0.08 3.5 pair_coeff @atom:319_b046_a046_d046_i046 @atom:319_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:320_b057_a057_d057_i057 @atom:320_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:321_b003_a003_d003_i003 @atom:321_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:322_b057_a057_d057_i057 @atom:322_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:323_b048_a048_d048_i048 @atom:323_b048_a048_d048_i048 0.08 3.5 pair_coeff @atom:324_b047_a047_d047_i047 @atom:324_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:325_b047_a047_d047_i047 @atom:325_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:326_b045_a045_d045_i045 @atom:326_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:327_b004_a004_d004_i004 @atom:327_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:328_b045_a045_d045_i045 @atom:328_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:329_b055_a055_d055_i055 @atom:329_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:330_b045_a045_d045_i045 @atom:330_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:331_b045_a045_d045_i045 @atom:331_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:332_b049_a049_d049_i049 @atom:332_b049_a049_d049_i049 0.05 2.5 pair_coeff @atom:333_b058_a058_d058_i058 @atom:333_b058_a058_d058_i058 0.05 2.5 pair_coeff @atom:334_b013_a013_d013_i013 @atom:334_b013_a013_d013_i013 0.08 3.5 pair_coeff @atom:335_b046_a046_d046_i046 @atom:335_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:336_b064_a064_d064_i064 @atom:336_b064_a064_d064_i064 0.2 3.74 pair_coeff @atom:337_b052_a052_d052_i052 @atom:337_b052_a052_d052_i052 0.21 2.96 pair_coeff @atom:338_b020_a020_d020_i020 @atom:338_b020_a020_d020_i020 0.17 3.0 pair_coeff @atom:339_b013_a013_d013_i013 @atom:339_b013_a013_d013_i013 0.066 3.55 pair_coeff @atom:340_b047_a047_d047_i047 @atom:340_b047_a047_d047_i047 0.08 3.5 pair_coeff @atom:341_b021_a021_d021_i021 @atom:341_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:342_b047_a047_d047_i047 @atom:342_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:343_b001_a001_d001_i001 @atom:343_b001_a001_d001_i001 0.71 3.05 pair_coeff @atom:344_b021_a021_d021_i021 @atom:344_b021_a021_d021_i021 0.71 4.02 pair_coeff @atom:345_b065_a065_d065_i065 @atom:345_b065_a065_d065_i065 0.71 4.28 pair_coeff @atom:346_b066_a066_d066_i066 @atom:346_b066_a066_d066_i066 0.71 4.81 pair_coeff @atom:347_b067_a067_d067_i067 @atom:347_b067_a067_d067_i067 0.0005 5.34 pair_coeff @atom:348_b068_a068_d068_i068 @atom:348_b068_a068_d068_i068 0.0005 2.87 pair_coeff @atom:349_b069_a069_d069_i069 @atom:349_b069_a069_d069_i069 0.0005 4.07 pair_coeff @atom:350_b070_a070_d070_i070 @atom:350_b070_a070_d070_i070 0.0005 5.17 pair_coeff @atom:351_b071_a071_d071_i071 @atom:351_b071_a071_d071_i071 0.0005 5.6 pair_coeff @atom:352_b072_a072_d072_i072 @atom:352_b072_a072_d072_i072 0.0005 6.2 pair_coeff @atom:353_b073_a073_d073_i073 @atom:353_b073_a073_d073_i073 0.875044 1.644471 pair_coeff @atom:354_b074_a074_d074_i074 @atom:354_b074_a074_d074_i074 0.449657 2.412031 pair_coeff @atom:355_b075_a075_d075_i075 @atom:355_b075_a075_d075_i075 0.118226 3.102688 pair_coeff @atom:356_b076_a076_d076_i076 @atom:356_b076_a076_d076_i076 0.047096 3.81661 pair_coeff @atom:357_b006_a006_d006_i006 @atom:357_b006_a006_d006_i006 0.3 4.2 pair_coeff @atom:358_b046_a046_d046_i046 @atom:358_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:359_b015_a015_d015_i015 @atom:359_b015_a015_d015_i015 0.5 4.25 pair_coeff @atom:360_b006_a006_d006_i006 @atom:360_b006_a006_d006_i006 0.3 4.2 pair_coeff @atom:361_b046_a046_d046_i046 @atom:361_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:362_b005_a005_d005_i005 @atom:362_b005_a005_d005_i005 0.25 3.15 pair_coeff @atom:363_b013_a013_d013_i013 @atom:363_b013_a013_d013_i013 0.3 4.2 pair_coeff @atom:364_b046_a046_d046_i046 @atom:364_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:365_b019_a019_d019_i019 @atom:365_b019_a019_d019_i019 0.15 3.65 pair_coeff @atom:366_b018_a018_d018_i018 @atom:366_b018_a018_d018_i018 0.25 3.4 pair_coeff @atom:367_b006_a006_d006_i006 @atom:367_b006_a006_d006_i006 0.3 4.2 pair_coeff @atom:368_b046_a046_d046_i046 @atom:368_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:369_b053_a053_d053_i053 @atom:369_b053_a053_d053_i053 0.25 3.4 pair_coeff @atom:370_b045_a045_d045_i045 @atom:370_b045_a045_d045_i045 0.05 2.5 pair_coeff @atom:371_b006_a006_d006_i006 @atom:371_b006_a006_d006_i006 0.3 4.2 pair_coeff @atom:372_b046_a046_d046_i046 @atom:372_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:373_b013_a013_d013_i013 @atom:373_b013_a013_d013_i013 0.3 4.2 pair_coeff @atom:374_b046_a046_d046_i046 @atom:374_b046_a046_d046_i046 0.05 2.5 pair_coeff @atom:375_b033_a033_d033_i033 @atom:375_b033_a033_d033_i033 0.0 0.0 pair_coeff @atom:376_b005_a005_d005_i005 @atom:376_b005_a005_d005_i005 0.25 3.2 pair_coeff @atom:377_b007_a007_d007_i007 @atom:377_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:378_b077_a077_d077_i077 @atom:378_b077_a077_d077_i077 0.4 2.81524 pair_coeff @atom:379_b078_a078_d078_i078 @atom:379_b078_a078_d078_i078 0.2 3.11815 pair_coeff @atom:380_b020_a020_d020_i020 @atom:380_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:381_b064_a064_d064_i064 @atom:381_b064_a064_d064_i064 0.2 3.74 pair_coeff @atom:382_b052_a052_d052_i052 @atom:382_b052_a052_d052_i052 0.2 3.15 pair_coeff @atom:383_b020_a020_d020_i020 @atom:383_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:384_b013_a013_d013_i013 @atom:384_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:385_b046_a046_d046_i046 @atom:385_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:386_b064_a064_d064_i064 @atom:386_b064_a064_d064_i064 0.2 3.74 pair_coeff @atom:387_b052_a052_d052_i052 @atom:387_b052_a052_d052_i052 0.2 3.15 pair_coeff @atom:388_b020_a020_d020_i020 @atom:388_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:389_b013_a013_d013_i013 @atom:389_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:390_b046_a046_d046_i046 @atom:390_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:391_b064_a064_d064_i064 @atom:391_b064_a064_d064_i064 0.2 3.74 pair_coeff @atom:392_b052_a052_d052_i052 @atom:392_b052_a052_d052_i052 0.2 3.15 pair_coeff @atom:393_b020_a020_d020_i020 @atom:393_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:394_b013_a013_d013_i013 @atom:394_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:395_b046_a046_d046_i046 @atom:395_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:396_b013_a013_d013_i013 @atom:396_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:397_b046_a046_d046_i046 @atom:397_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:398_b048_a048_d048_i048 @atom:398_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:399_b013_a013_d013_i013 @atom:399_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:400_b046_a046_d046_i046 @atom:400_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:401_b048_a048_d048_i048 @atom:401_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:402_b013_a013_d013_i013 @atom:402_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:403_b046_a046_d046_i046 @atom:403_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:404_b048_a048_d048_i048 @atom:404_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:405_b013_a013_d013_i013 @atom:405_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:406_b003_a003_d003_i003 @atom:406_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:407_b004_a004_d004_i004 @atom:407_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:408_b020_a020_d020_i020 @atom:408_b020_a020_d020_i020 0.17 3.0 pair_coeff @atom:409_b013_a013_d013_i013 @atom:409_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:410_b046_a046_d046_i046 @atom:410_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:411_b003_a003_d003_i003 @atom:411_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:412_b003_a003_d003_i003 @atom:412_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:413_b048_a048_d048_i048 @atom:413_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:414_b020_a020_d020_i020 @atom:414_b020_a020_d020_i020 0.17 3.0 pair_coeff @atom:415_b079_a079_d079_i079 @atom:415_b079_a079_d079_i079 0.25 3.55 pair_coeff @atom:416_b023_a023_d023_i023 @atom:416_b023_a023_d023_i023 0.17 2.96 pair_coeff @atom:417_b013_a013_d013_i013 @atom:417_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:418_b046_a046_d046_i046 @atom:418_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:419_b024_a024_d024_i024 @atom:419_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:420_b045_a045_d045_i045 @atom:420_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:421_b024_a024_d024_i024 @atom:421_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:422_b045_a045_d045_i045 @atom:422_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:423_b013_a013_d013_i013 @atom:423_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:424_b046_a046_d046_i046 @atom:424_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:425_b013_a013_d013_i013 @atom:425_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:426_b046_a046_d046_i046 @atom:426_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:427_b013_a013_d013_i013 @atom:427_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:428_b046_a046_d046_i046 @atom:428_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:429_b048_a048_d048_i048 @atom:429_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:430_b048_a048_d048_i048 @atom:430_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:431_b013_a013_d013_i013 @atom:431_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:432_b013_a013_d013_i013 @atom:432_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:433_b013_a013_d013_i013 @atom:433_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:434_b079_a079_d079_i079 @atom:434_b079_a079_d079_i079 0.25 3.55 pair_coeff @atom:435_b023_a023_d023_i023 @atom:435_b023_a023_d023_i023 0.17 2.96 pair_coeff @atom:436_b022_a022_d022_i022 @atom:436_b022_a022_d022_i022 0.395 3.56 pair_coeff @atom:437_b022_a022_d022_i022 @atom:437_b022_a022_d022_i022 0.395 3.56 pair_coeff @atom:438_b023_a023_d023_i023 @atom:438_b023_a023_d023_i023 0.28 2.93 pair_coeff @atom:439_b013_a013_d013_i013 @atom:439_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:440_b013_a013_d013_i013 @atom:440_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:441_b080_a080_d080_i080 @atom:441_b080_a080_d080_i080 0.07 3.55 pair_coeff @atom:442_b060_a060_d060_i060 @atom:442_b060_a060_d060_i060 0.07 3.55 pair_coeff @atom:443_b081_a081_d081_i081 @atom:443_b081_a081_d081_i081 0.07 3.55 pair_coeff @atom:444_b057_a057_d057_i057 @atom:444_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:445_b045_a045_d045_i045 @atom:445_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:446_b013_a013_d013_i013 @atom:446_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:447_b082_a082_d082_i082 @atom:447_b082_a082_d082_i082 0.07 3.55 pair_coeff @atom:448_b083_a083_d083_i083 @atom:448_b083_a083_d083_i083 0.07 3.55 pair_coeff @atom:449_b084_a084_d084_i084 @atom:449_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:450_b082_a082_d082_i082 @atom:450_b082_a082_d082_i082 0.07 3.55 pair_coeff @atom:451_b085_a085_d085_i085 @atom:451_b085_a085_d085_i085 0.07 3.55 pair_coeff @atom:452_b061_a061_d061_i061 @atom:452_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:453_b057_a057_d057_i057 @atom:453_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:454_b045_a045_d045_i045 @atom:454_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:455_b084_a084_d084_i084 @atom:455_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:456_b013_a013_d013_i013 @atom:456_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:457_b013_a013_d013_i013 @atom:457_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:458_b047_a047_d047_i047 @atom:458_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:459_b047_a047_d047_i047 @atom:459_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:460_b086_a086_d086_i086 @atom:460_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:461_b056_a056_d056_i056 @atom:461_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:462_b048_a048_d048_i048 @atom:462_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:463_b048_a048_d048_i048 @atom:463_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:464_b048_a048_d048_i048 @atom:464_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:465_b049_a049_d049_i049 @atom:465_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:466_b049_a049_d049_i049 @atom:466_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:467_b049_a049_d049_i049 @atom:467_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:468_b056_a056_d056_i056 @atom:468_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:469_b048_a048_d048_i048 @atom:469_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:470_b049_a049_d049_i049 @atom:470_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:471_b056_a056_d056_i056 @atom:471_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:472_b059_a059_d059_i059 @atom:472_b059_a059_d059_i059 0.07 3.55 pair_coeff @atom:473_b048_a048_d048_i048 @atom:473_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:474_b048_a048_d048_i048 @atom:474_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:475_b049_a049_d049_i049 @atom:475_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:476_b049_a049_d049_i049 @atom:476_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:477_b049_a049_d049_i049 @atom:477_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:478_b056_a056_d056_i056 @atom:478_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:479_b048_a048_d048_i048 @atom:479_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:480_b048_a048_d048_i048 @atom:480_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:481_b049_a049_d049_i049 @atom:481_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:482_b049_a049_d049_i049 @atom:482_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:483_b057_a057_d057_i057 @atom:483_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:484_b084_a084_d084_i084 @atom:484_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:485_b087_a087_d087_i087 @atom:485_b087_a087_d087_i087 0.07 3.55 pair_coeff @atom:486_b045_a045_d045_i045 @atom:486_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:487_b049_a049_d049_i049 @atom:487_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:488_b049_a049_d049_i049 @atom:488_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:489_b057_a057_d057_i057 @atom:489_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:490_b061_a061_d061_i061 @atom:490_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:491_b088_a088_d088_i088 @atom:491_b088_a088_d088_i088 0.07 3.55 pair_coeff @atom:492_b087_a087_d087_i087 @atom:492_b087_a087_d087_i087 0.07 3.55 pair_coeff @atom:493_b084_a084_d084_i084 @atom:493_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:494_b045_a045_d045_i045 @atom:494_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:495_b049_a049_d049_i049 @atom:495_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:496_b049_a049_d049_i049 @atom:496_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:497_b049_a049_d049_i049 @atom:497_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:498_b057_a057_d057_i057 @atom:498_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:499_b082_a082_d082_i082 @atom:499_b082_a082_d082_i082 0.07 3.55 pair_coeff @atom:500_b061_a061_d061_i061 @atom:500_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:501_b083_a083_d083_i083 @atom:501_b083_a083_d083_i083 0.07 3.55 pair_coeff @atom:502_b084_a084_d084_i084 @atom:502_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:503_b045_a045_d045_i045 @atom:503_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:504_b049_a049_d049_i049 @atom:504_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:505_b049_a049_d049_i049 @atom:505_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:506_b049_a049_d049_i049 @atom:506_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:507_b020_a020_d020_i020 @atom:507_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:508_b084_a084_d084_i084 @atom:508_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:509_b087_a087_d087_i087 @atom:509_b087_a087_d087_i087 0.076 3.55 pair_coeff @atom:510_b049_a049_d049_i049 @atom:510_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:511_b049_a049_d049_i049 @atom:511_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:512_b020_a020_d020_i020 @atom:512_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:513_b082_a082_d082_i082 @atom:513_b082_a082_d082_i082 0.07 3.55 pair_coeff @atom:514_b061_a061_d061_i061 @atom:514_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:515_b083_a083_d083_i083 @atom:515_b083_a083_d083_i083 0.07 3.55 pair_coeff @atom:516_b084_a084_d084_i084 @atom:516_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:517_b049_a049_d049_i049 @atom:517_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:518_b049_a049_d049_i049 @atom:518_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:519_b049_a049_d049_i049 @atom:519_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:520_b020_a020_d020_i020 @atom:520_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:521_b061_a061_d061_i061 @atom:521_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:522_b088_a088_d088_i088 @atom:522_b088_a088_d088_i088 0.07 3.55 pair_coeff @atom:523_b087_a087_d087_i087 @atom:523_b087_a087_d087_i087 0.07 3.55 pair_coeff @atom:524_b084_a084_d084_i084 @atom:524_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:525_b049_a049_d049_i049 @atom:525_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:526_b049_a049_d049_i049 @atom:526_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:527_b049_a049_d049_i049 @atom:527_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:528_b057_a057_d057_i057 @atom:528_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:529_b084_a084_d084_i084 @atom:529_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:530_b087_a087_d087_i087 @atom:530_b087_a087_d087_i087 0.07 3.55 pair_coeff @atom:531_b048_a048_d048_i048 @atom:531_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:532_b048_a048_d048_i048 @atom:532_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:533_b048_a048_d048_i048 @atom:533_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:534_b048_a048_d048_i048 @atom:534_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:535_b081_a081_d081_i081 @atom:535_b081_a081_d081_i081 0.07 3.55 pair_coeff @atom:536_b060_a060_d060_i060 @atom:536_b060_a060_d060_i060 0.07 3.55 pair_coeff @atom:537_b045_a045_d045_i045 @atom:537_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:538_b049_a049_d049_i049 @atom:538_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:539_b049_a049_d049_i049 @atom:539_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:540_b049_a049_d049_i049 @atom:540_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:541_b049_a049_d049_i049 @atom:541_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:542_b049_a049_d049_i049 @atom:542_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:543_b049_a049_d049_i049 @atom:543_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:544_b056_a056_d056_i056 @atom:544_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:545_b048_a048_d048_i048 @atom:545_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:546_b048_a048_d048_i048 @atom:546_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:547_b048_a048_d048_i048 @atom:547_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:548_b048_a048_d048_i048 @atom:548_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:549_b048_a048_d048_i048 @atom:549_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:550_b048_a048_d048_i048 @atom:550_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:551_b048_a048_d048_i048 @atom:551_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:552_b048_a048_d048_i048 @atom:552_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:553_b048_a048_d048_i048 @atom:553_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:554_b049_a049_d049_i049 @atom:554_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:555_b049_a049_d049_i049 @atom:555_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:556_b049_a049_d049_i049 @atom:556_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:557_b049_a049_d049_i049 @atom:557_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:558_b049_a049_d049_i049 @atom:558_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:559_b049_a049_d049_i049 @atom:559_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:560_b049_a049_d049_i049 @atom:560_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:561_b056_a056_d056_i056 @atom:561_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:562_b059_a059_d059_i059 @atom:562_b059_a059_d059_i059 0.07 3.55 pair_coeff @atom:563_b056_a056_d056_i056 @atom:563_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:564_b060_a060_d060_i060 @atom:564_b060_a060_d060_i060 0.07 3.55 pair_coeff @atom:565_b060_a060_d060_i060 @atom:565_b060_a060_d060_i060 0.07 3.55 pair_coeff @atom:566_b048_a048_d048_i048 @atom:566_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:567_b061_a061_d061_i061 @atom:567_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:568_b062_a062_d062_i062 @atom:568_b062_a062_d062_i062 0.07 3.55 pair_coeff @atom:569_b057_a057_d057_i057 @atom:569_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:570_b049_a049_d049_i049 @atom:570_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:571_b049_a049_d049_i049 @atom:571_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:572_b049_a049_d049_i049 @atom:572_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:573_b045_a045_d045_i045 @atom:573_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:574_b016_a016_d016_i016 @atom:574_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:575_b082_a082_d082_i082 @atom:575_b082_a082_d082_i082 0.07 3.55 pair_coeff @atom:576_b061_a061_d061_i061 @atom:576_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:577_b083_a083_d083_i083 @atom:577_b083_a083_d083_i083 0.07 3.55 pair_coeff @atom:578_b084_a084_d084_i084 @atom:578_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:579_b049_a049_d049_i049 @atom:579_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:580_b049_a049_d049_i049 @atom:580_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:581_b049_a049_d049_i049 @atom:581_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:582_b056_a056_d056_i056 @atom:582_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:583_b059_a059_d059_i059 @atom:583_b059_a059_d059_i059 0.07 3.55 pair_coeff @atom:584_b049_a049_d049_i049 @atom:584_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:585_b048_a048_d048_i048 @atom:585_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:586_b013_a013_d013_i013 @atom:586_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:587_b056_a056_d056_i056 @atom:587_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:588_b048_a048_d048_i048 @atom:588_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:589_b048_a048_d048_i048 @atom:589_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:590_b048_a048_d048_i048 @atom:590_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:591_b048_a048_d048_i048 @atom:591_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:592_b048_a048_d048_i048 @atom:592_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:593_b048_a048_d048_i048 @atom:593_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:594_b049_a049_d049_i049 @atom:594_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:595_b049_a049_d049_i049 @atom:595_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:596_b049_a049_d049_i049 @atom:596_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:597_b049_a049_d049_i049 @atom:597_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:598_b057_a057_d057_i057 @atom:598_b057_a057_d057_i057 0.17 3.25 pair_coeff @atom:599_b082_a082_d082_i082 @atom:599_b082_a082_d082_i082 0.07 3.55 pair_coeff @atom:600_b061_a061_d061_i061 @atom:600_b061_a061_d061_i061 0.17 3.25 pair_coeff @atom:601_b083_a083_d083_i083 @atom:601_b083_a083_d083_i083 0.07 3.55 pair_coeff @atom:602_b084_a084_d084_i084 @atom:602_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:603_b013_a013_d013_i013 @atom:603_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:604_b049_a049_d049_i049 @atom:604_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:605_b049_a049_d049_i049 @atom:605_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:606_b049_a049_d049_i049 @atom:606_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:607_b046_a046_d046_i046 @atom:607_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:608_b013_a013_d013_i013 @atom:608_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:609_b013_a013_d013_i013 @atom:609_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:610_b013_a013_d013_i013 @atom:610_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:611_b013_a013_d013_i013 @atom:611_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:612_b013_a013_d013_i013 @atom:612_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:613_b013_a013_d013_i013 @atom:613_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:614_b013_a013_d013_i013 @atom:614_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:615_b013_a013_d013_i013 @atom:615_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:616_b013_a013_d013_i013 @atom:616_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:617_b013_a013_d013_i013 @atom:617_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:618_b013_a013_d013_i013 @atom:618_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:619_b013_a013_d013_i013 @atom:619_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:620_b013_a013_d013_i013 @atom:620_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:621_b013_a013_d013_i013 @atom:621_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:622_b013_a013_d013_i013 @atom:622_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:623_b015_a015_d015_i015 @atom:623_b015_a015_d015_i015 0.25 3.55 pair_coeff @atom:624_b017_a017_d017_i017 @atom:624_b017_a017_d017_i017 0.0 0.0 pair_coeff @atom:625_b048_a048_d048_i048 @atom:625_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:626_b089_a089_d089_i089 @atom:626_b089_a089_d089_i089 0.105 3.75 pair_coeff @atom:627_b090_a090_d090_i090 @atom:627_b090_a090_d090_i090 0.17 3.25 pair_coeff @atom:628_b091_a091_d091_i091 @atom:628_b091_a091_d091_i091 0.066 3.5 pair_coeff @atom:629_b091_a091_d091_i091 @atom:629_b091_a091_d091_i091 0.066 3.5 pair_coeff @atom:630_b013_a013_d013_i013 @atom:630_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:631_b086_a086_d086_i086 @atom:631_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:632_b086_a086_d086_i086 @atom:632_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:633_b086_a086_d086_i086 @atom:633_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:634_b086_a086_d086_i086 @atom:634_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:635_b086_a086_d086_i086 @atom:635_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:636_b086_a086_d086_i086 @atom:636_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:637_b016_a016_d016_i016 @atom:637_b016_a016_d016_i016 0.25 3.55 pair_coeff @atom:638_b092_a092_d092_i092 @atom:638_b092_a092_d092_i092 0.054 3.473 pair_coeff @atom:639_b093_a093_d093_i093 @atom:639_b093_a093_d093_i093 0.05 3.3 pair_coeff @atom:640_b094_a094_d094_i094 @atom:640_b094_a094_d094_i094 0.05 3.3 pair_coeff @atom:641_b095_a095_d095_i095 @atom:641_b095_a095_d095_i095 0.076 3.55 pair_coeff @atom:642_b013_a013_d013_i013 @atom:642_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:643_b046_a046_d046_i046 @atom:643_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:644_b096_a096_d096_i096 @atom:644_b096_a096_d096_i096 0.06 3.75 pair_coeff @atom:645_b097_a097_d097_i097 @atom:645_b097_a097_d097_i097 0.054 3.473 pair_coeff @atom:646_b098_a098_d098_i098 @atom:646_b098_a098_d098_i098 0.05 3.3 pair_coeff @atom:647_b099_a099_d099_i099 @atom:647_b099_a099_d099_i099 0.05 3.3 pair_coeff @atom:648_b100_a100_d100_i100 @atom:648_b100_a100_d100_i100 0.04 2.95 pair_coeff @atom:649_b047_a047_d047_i047 @atom:649_b047_a047_d047_i047 0.076 3.55 pair_coeff @atom:650_b021_a021_d021_i021 @atom:650_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:651_b046_a046_d046_i046 @atom:651_b046_a046_d046_i046 0.03 2.42 pair_coeff @atom:652_b091_a091_d091_i091 @atom:652_b091_a091_d091_i091 0.066 3.5 pair_coeff @atom:653_b091_a091_d091_i091 @atom:653_b091_a091_d091_i091 0.066 3.5 pair_coeff @atom:654_b091_a091_d091_i091 @atom:654_b091_a091_d091_i091 0.066 3.5 pair_coeff @atom:655_b048_a048_d048_i048 @atom:655_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:656_b049_a049_d049_i049 @atom:656_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:657_b048_a048_d048_i048 @atom:657_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:658_b049_a049_d049_i049 @atom:658_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:659_b048_a048_d048_i048 @atom:659_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:660_b001_a001_d001_i001 @atom:660_b001_a001_d001_i001 0.061 2.85 pair_coeff @atom:661_b048_a048_d048_i048 @atom:661_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:662_b001_a001_d001_i001 @atom:662_b001_a001_d001_i001 0.061 2.85 pair_coeff @atom:663_b065_a065_d065_i065 @atom:663_b065_a065_d065_i065 0.47 3.47 pair_coeff @atom:664_b002_a002_d002_i002 @atom:664_b002_a002_d002_i002 0.118 3.905 pair_coeff @atom:665_b048_a048_d048_i048 @atom:665_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:666_b013_a013_d013_i013 @atom:666_b013_a013_d013_i013 0.062 3.25 pair_coeff @atom:667_b001_a001_d001_i001 @atom:667_b001_a001_d001_i001 0.061 2.94 pair_coeff @atom:668_b048_a048_d048_i048 @atom:668_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:669_b001_a001_d001_i001 @atom:669_b001_a001_d001_i001 0.061 2.85 pair_coeff @atom:670_b048_a048_d048_i048 @atom:670_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:671_b065_a065_d065_i065 @atom:671_b065_a065_d065_i065 0.47 3.47 pair_coeff @atom:672_b048_a048_d048_i048 @atom:672_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:673_b066_a066_d066_i066 @atom:673_b066_a066_d066_i066 0.6 3.75 pair_coeff @atom:674_b091_a091_d091_i091 @atom:674_b091_a091_d091_i091 0.066 3.5 pair_coeff @atom:675_b015_a015_d015_i015 @atom:675_b015_a015_d015_i015 0.25 3.55 pair_coeff @atom:676_b048_a048_d048_i048 @atom:676_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:677_b048_a048_d048_i048 @atom:677_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:678_b048_a048_d048_i048 @atom:678_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:679_b048_a048_d048_i048 @atom:679_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:680_b048_a048_d048_i048 @atom:680_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:681_b049_a049_d049_i049 @atom:681_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:682_b049_a049_d049_i049 @atom:682_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:683_b048_a048_d048_i048 @atom:683_b048_a048_d048_i048 0.05 3.55 pair_coeff @atom:684_b055_a055_d055_i055 @atom:684_b055_a055_d055_i055 0.17 3.25 pair_coeff @atom:685_b045_a045_d045_i045 @atom:685_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:686_b045_a045_d045_i045 @atom:686_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:687_b049_a049_d049_i049 @atom:687_b049_a049_d049_i049 0.03 2.42 pair_coeff @atom:688_b013_a013_d013_i013 @atom:688_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:689_b013_a013_d013_i013 @atom:689_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:690_b101_a101_d101_i101 @atom:690_b101_a101_d101_i101 0.17 3.25 pair_coeff @atom:691_b056_a056_d056_i056 @atom:691_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:692_b101_a101_d101_i101 @atom:692_b101_a101_d101_i101 0.17 3.25 pair_coeff @atom:693_b048_a048_d048_i048 @atom:693_b048_a048_d048_i048 0.05 3.55 pair_coeff @atom:694_b018_a018_d018_i018 @atom:694_b018_a018_d018_i018 0.17 3.2 pair_coeff @atom:695_b019_a019_d019_i019 @atom:695_b019_a019_d019_i019 0.066 3.3 pair_coeff @atom:696_b013_a013_d013_i013 @atom:696_b013_a013_d013_i013 0.066 3.3 pair_coeff @atom:697_b013_a013_d013_i013 @atom:697_b013_a013_d013_i013 0.066 3.3 pair_coeff @atom:698_b013_a013_d013_i013 @atom:698_b013_a013_d013_i013 0.066 3.3 pair_coeff @atom:699_b013_a013_d013_i013 @atom:699_b013_a013_d013_i013 0.066 3.3 pair_coeff @atom:700_b046_a046_d046_i046 @atom:700_b046_a046_d046_i046 0.015 2.5 pair_coeff @atom:701_b102_a102_d102_i102 @atom:701_b102_a102_d102_i102 0.12 3.25 pair_coeff @atom:702_b103_a103_d103_i103 @atom:702_b103_a103_d103_i103 0.17 2.96 pair_coeff @atom:703_b013_a013_d013_i013 @atom:703_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:704_b046_a046_d046_i046 @atom:704_b046_a046_d046_i046 0.015 2.5 pair_coeff @atom:705_b013_a013_d013_i013 @atom:705_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:706_b013_a013_d013_i013 @atom:706_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:707_b013_a013_d013_i013 @atom:707_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:708_b102_a102_d102_i102 @atom:708_b102_a102_d102_i102 0.12 3.25 pair_coeff @atom:709_b048_a048_d048_i048 @atom:709_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:710_b013_a013_d013_i013 @atom:710_b013_a013_d013_i013 0.066 3.3 pair_coeff @atom:711_b056_a056_d056_i056 @atom:711_b056_a056_d056_i056 0.17 3.25 pair_coeff @atom:712_b004_a004_d004_i004 @atom:712_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:713_b003_a003_d003_i003 @atom:713_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:714_b020_a020_d020_i020 @atom:714_b020_a020_d020_i020 0.17 3.0 pair_coeff @atom:715_b013_a013_d013_i013 @atom:715_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:716_b013_a013_d013_i013 @atom:716_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:717_b013_a013_d013_i013 @atom:717_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:718_b046_a046_d046_i046 @atom:718_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:719_b046_a046_d046_i046 @atom:719_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:720_b046_a046_d046_i046 @atom:720_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:721_b020_a020_d020_i020 @atom:721_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:722_b104_a104_d104_i104 @atom:722_b104_a104_d104_i104 0.2 3.74 pair_coeff @atom:723_b013_a013_d013_i013 @atom:723_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:724_b013_a013_d013_i013 @atom:724_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:725_b046_a046_d046_i046 @atom:725_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:726_b064_a064_d064_i064 @atom:726_b064_a064_d064_i064 0.2 3.74 pair_coeff @atom:727_b001_a001_d001_i001 @atom:727_b001_a001_d001_i001 0.061 3.1181 pair_coeff @atom:728_b024_a024_d024_i024 @atom:728_b024_a024_d024_i024 0.17 3.15 pair_coeff @atom:729_b004_a004_d004_i004 @atom:729_b004_a004_d004_i004 0.21 2.86 pair_coeff @atom:730_b044_a044_d044_i044 @atom:730_b044_a044_d044_i044 0.17 3.3 pair_coeff @atom:731_b044_a044_d044_i044 @atom:731_b044_a044_d044_i044 0.17 3.3 pair_coeff @atom:732_b044_a044_d044_i044 @atom:732_b044_a044_d044_i044 0.17 3.3 pair_coeff @atom:733_b013_a013_d013_i013 @atom:733_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:734_b013_a013_d013_i013 @atom:734_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:735_b013_a013_d013_i013 @atom:735_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:736_b013_a013_d013_i013 @atom:736_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:737_b013_a013_d013_i013 @atom:737_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:738_b013_a013_d013_i013 @atom:738_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:739_b045_a045_d045_i045 @atom:739_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:740_b045_a045_d045_i045 @atom:740_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:741_b046_a046_d046_i046 @atom:741_b046_a046_d046_i046 0.015 2.5 pair_coeff @atom:742_b013_a013_d013_i013 @atom:742_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:743_b013_a013_d013_i013 @atom:743_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:744_b013_a013_d013_i013 @atom:744_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:745_b013_a013_d013_i013 @atom:745_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:746_b048_a048_d048_i048 @atom:746_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:747_b048_a048_d048_i048 @atom:747_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:748_b048_a048_d048_i048 @atom:748_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:749_b013_a013_d013_i013 @atom:749_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:750_b013_a013_d013_i013 @atom:750_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:751_b013_a013_d013_i013 @atom:751_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:752_b013_a013_d013_i013 @atom:752_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:753_b013_a013_d013_i013 @atom:753_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:754_b013_a013_d013_i013 @atom:754_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:755_b019_a019_d019_i019 @atom:755_b019_a019_d019_i019 0.086 3.3 pair_coeff @atom:756_b046_a046_d046_i046 @atom:756_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:757_b019_a019_d019_i019 @atom:757_b019_a019_d019_i019 0.21 3.3 pair_coeff @atom:758_b019_a019_d019_i019 @atom:758_b019_a019_d019_i019 0.135 3.3 pair_coeff @atom:759_b019_a019_d019_i019 @atom:759_b019_a019_d019_i019 0.1 3.3 pair_coeff @atom:760_b046_a046_d046_i046 @atom:760_b046_a046_d046_i046 0.015 2.5 pair_coeff @atom:761_b051_a051_d051_i051 @atom:761_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:762_b051_a051_d051_i051 @atom:762_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:763_b051_a051_d051_i051 @atom:763_b051_a051_d051_i051 0.066 3.5 pair_coeff @atom:764_b005_a005_d005_i005 @atom:764_b005_a005_d005_i005 0.17 3.12 pair_coeff @atom:765_b007_a007_d007_i007 @atom:765_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:766_b105_a105_d105_i105 @atom:766_b105_a105_d105_i105 0.17 3.25 pair_coeff @atom:767_b105_a105_d105_i105 @atom:767_b105_a105_d105_i105 0.17 3.25 pair_coeff @atom:768_b105_a105_d105_i105 @atom:768_b105_a105_d105_i105 0.17 3.25 pair_coeff @atom:769_b019_a019_d019_i019 @atom:769_b019_a019_d019_i019 0.21 3.3 pair_coeff @atom:770_b053_a053_d053_i053 @atom:770_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:771_b054_a054_d054_i054 @atom:771_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:772_b013_a013_d013_i013 @atom:772_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:773_b013_a013_d013_i013 @atom:773_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:774_b013_a013_d013_i013 @atom:774_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:775_b013_a013_d013_i013 @atom:775_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:776_b084_a084_d084_i084 @atom:776_b084_a084_d084_i084 0.07 3.55 pair_coeff @atom:777_b087_a087_d087_i087 @atom:777_b087_a087_d087_i087 0.076 3.55 pair_coeff @atom:778_b086_a086_d086_i086 @atom:778_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:779_b086_a086_d086_i086 @atom:779_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:780_b046_a046_d046_i046 @atom:780_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:781_b013_a013_d013_i013 @atom:781_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:782_b003_a003_d003_i003 @atom:782_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:783_b053_a053_d053_i053 @atom:783_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:784_b052_a052_d052_i052 @atom:784_b052_a052_d052_i052 0.21 2.96 pair_coeff @atom:785_b054_a054_d054_i054 @atom:785_b054_a054_d054_i054 0.0 0.0 pair_coeff @atom:786_b001_a001_d001_i001 @atom:786_b001_a001_d001_i001 0.061 2.94 pair_coeff @atom:787_b013_a013_d013_i013 @atom:787_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:788_b046_a046_d046_i046 @atom:788_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:789_b013_a013_d013_i013 @atom:789_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:790_b013_a013_d013_i013 @atom:790_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:791_b013_a013_d013_i013 @atom:791_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:792_b013_a013_d013_i013 @atom:792_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:793_b013_a013_d013_i013 @atom:793_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:794_b013_a013_d013_i013 @atom:794_b013_a013_d013_i013 0.097 3.5 pair_coeff @atom:795_b001_a001_d001_i001 @atom:795_b001_a001_d001_i001 0.053 2.95 pair_coeff @atom:796_b013_a013_d013_i013 @atom:796_b013_a013_d013_i013 0.062 3.25 pair_coeff @atom:797_b046_a046_d046_i046 @atom:797_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:798_b013_a013_d013_i013 @atom:798_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:799_b013_a013_d013_i013 @atom:799_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:800_b021_a021_d021_i021 @atom:800_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:801_b013_a013_d013_i013 @atom:801_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:802_b046_a046_d046_i046 @atom:802_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:803_b013_a013_d013_i013 @atom:803_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:804_b013_a013_d013_i013 @atom:804_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:805_b065_a065_d065_i065 @atom:805_b065_a065_d065_i065 0.47 3.47 pair_coeff @atom:806_b013_a013_d013_i013 @atom:806_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:807_b046_a046_d046_i046 @atom:807_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:808_b013_a013_d013_i013 @atom:808_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:809_b013_a013_d013_i013 @atom:809_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:810_b001_a001_d001_i001 @atom:810_b001_a001_d001_i001 0.061 2.94 pair_coeff @atom:811_b021_a021_d021_i021 @atom:811_b021_a021_d021_i021 0.3 3.4 pair_coeff @atom:812_b065_a065_d065_i065 @atom:812_b065_a065_d065_i065 0.47 3.47 pair_coeff @atom:813_b048_a048_d048_i048 @atom:813_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:814_b020_a020_d020_i020 @atom:814_b020_a020_d020_i020 0.14 2.9 pair_coeff @atom:815_b013_a013_d013_i013 @atom:815_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:816_b001_a001_d001_i001 @atom:816_b001_a001_d001_i001 0.06 2.9 pair_coeff @atom:817_b024_a024_d024_i024 @atom:817_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:818_b048_a048_d048_i048 @atom:818_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:819_b013_a013_d013_i013 @atom:819_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:820_b003_a003_d003_i003 @atom:820_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:821_b003_a003_d003_i003 @atom:821_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:822_b004_a004_d004_i004 @atom:822_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:823_b024_a024_d024_i024 @atom:823_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:824_b045_a045_d045_i045 @atom:824_b045_a045_d045_i045 0.0 0.0 pair_coeff @atom:825_b005_a005_d005_i005 @atom:825_b005_a005_d005_i005 0.17 3.12 pair_coeff @atom:826_b007_a007_d007_i007 @atom:826_b007_a007_d007_i007 0.0 0.0 pair_coeff @atom:827_b013_a013_d013_i013 @atom:827_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:828_b013_a013_d013_i013 @atom:828_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:829_b086_a086_d086_i086 @atom:829_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:830_b086_a086_d086_i086 @atom:830_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:831_b086_a086_d086_i086 @atom:831_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:832_b086_a086_d086_i086 @atom:832_b086_a086_d086_i086 0.07 3.55 pair_coeff @atom:833_b048_a048_d048_i048 @atom:833_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:834_b106_a106_d106_i106 @atom:834_b106_a106_d106_i106 0.0125 1.96 pair_coeff @atom:835_b013_a013_d013_i013 @atom:835_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:836_b013_a013_d013_i013 @atom:836_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:837_b013_a013_d013_i013 @atom:837_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:838_b066_a066_d066_i066 @atom:838_b066_a066_d066_i066 0.6 3.75 pair_coeff @atom:839_b046_a046_d046_i046 @atom:839_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:840_b024_a024_d024_i024 @atom:840_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:841_b048_a048_d048_i048 @atom:841_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:842_b048_a048_d048_i048 @atom:842_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:843_b024_a024_d024_i024 @atom:843_b024_a024_d024_i024 0.17 3.25 pair_coeff @atom:844_b048_a048_d048_i048 @atom:844_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:845_b003_a003_d003_i003 @atom:845_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:846_b004_a004_d004_i004 @atom:846_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:847_b107_a107_d107_i107 @atom:847_b107_a107_d107_i107 0.17 3.25 pair_coeff @atom:848_b013_a013_d013_i013 @atom:848_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:849_b013_a013_d013_i013 @atom:849_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:850_b013_a013_d013_i013 @atom:850_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:851_b013_a013_d013_i013 @atom:851_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:852_b046_a046_d046_i046 @atom:852_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:853_b003_a003_d003_i003 @atom:853_b003_a003_d003_i003 0.105 3.75 pair_coeff @atom:854_b004_a004_d004_i004 @atom:854_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:855_b046_a046_d046_i046 @atom:855_b046_a046_d046_i046 0.015 2.42 pair_coeff @atom:856_b013_a013_d013_i013 @atom:856_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:857_b013_a013_d013_i013 @atom:857_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:858_b013_a013_d013_i013 @atom:858_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:859_b013_a013_d013_i013 @atom:859_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:860_b013_a013_d013_i013 @atom:860_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:861_b013_a013_d013_i013 @atom:861_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:862_b013_a013_d013_i013 @atom:862_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:863_b013_a013_d013_i013 @atom:863_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:864_b013_a013_d013_i013 @atom:864_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:865_b013_a013_d013_i013 @atom:865_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:866_b108_a108_d108_i108 @atom:866_b108_a108_d108_i108 0.1 4.0 pair_coeff @atom:867_b108_a108_d108_i108 @atom:867_b108_a108_d108_i108 0.1 4.0 pair_coeff @atom:868_b108_a108_d108_i108 @atom:868_b108_a108_d108_i108 0.1 4.0 pair_coeff @atom:869_b108_a108_d108_i108 @atom:869_b108_a108_d108_i108 0.1 4.0 pair_coeff @atom:870_b045_a045_d045_i045 @atom:870_b045_a045_d045_i045 0.03 2.5 pair_coeff @atom:871_b013_a013_d013_i013 @atom:871_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:872_b013_a013_d013_i013 @atom:872_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:873_b013_a013_d013_i013 @atom:873_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:874_b013_a013_d013_i013 @atom:874_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:875_b001_a001_d001_i001 @atom:875_b001_a001_d001_i001 0.72 3.08 pair_coeff @atom:876_b021_a021_d021_i021 @atom:876_b021_a021_d021_i021 0.11779 4.18 pair_coeff @atom:877_b065_a065_d065_i065 @atom:877_b065_a065_d065_i065 0.09 4.51 pair_coeff @atom:878_b066_a066_d066_i066 @atom:878_b066_a066_d066_i066 0.07 5.15 pair_coeff @atom:879_b068_a068_d068_i068 @atom:879_b068_a068_d068_i068 0.018279 2.7 pair_coeff @atom:880_b069_a069_d069_i069 @atom:880_b069_a069_d069_i069 0.002772 3.35 pair_coeff @atom:881_b070_a070_d070_i070 @atom:881_b070_a070_d070_i070 0.000328 4.06 pair_coeff @atom:882_b071_a071_d071_i071 @atom:882_b071_a071_d071_i071 0.000171 4.32 pair_coeff @atom:883_b072_a072_d072_i072 @atom:883_b072_a072_d072_i072 8.1e-05 4.82 pair_coeff @atom:884_b073_a073_d073_i073 @atom:884_b073_a073_d073_i073 0.875044 2.91 pair_coeff @atom:885_b074_a074_d074_i074 @atom:885_b074_a074_d074_i074 0.449657 3.47 pair_coeff @atom:886_b075_a075_d075_i075 @atom:886_b075_a075_d075_i075 0.118226 3.82 pair_coeff @atom:887_b076_a076_d076_i076 @atom:887_b076_a076_d076_i076 0.047096 4.18 pair_coeff @atom:888_b013_a013_d013_i013 @atom:888_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:889_b013_a013_d013_i013 @atom:889_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:890_b013_a013_d013_i013 @atom:890_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:891_b013_a013_d013_i013 @atom:891_b013_a013_d013_i013 0.066 3.5 pair_coeff @atom:892_b046_a046_d046_i046 @atom:892_b046_a046_d046_i046 0.03 2.5 pair_coeff @atom:893_b053_a053_d053_i053 @atom:893_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:894_b048_a048_d048_i048 @atom:894_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:895_b053_a053_d053_i053 @atom:895_b053_a053_d053_i053 0.17 3.25 pair_coeff @atom:896_b048_a048_d048_i048 @atom:896_b048_a048_d048_i048 0.07 3.55 pair_coeff @atom:897_b109_a109_d109_i109 @atom:897_b109_a109_d109_i109 0.076 3.55 pair_coeff @atom:898_b109_a109_d109_i109 @atom:898_b109_a109_d109_i109 0.076 3.55 pair_coeff @atom:899_b046_a046_d046_i046 @atom:899_b046_a046_d046_i046 0.03 2.42 pair_coeff @atom:900_b047_a047_d047_i047 @atom:900_b047_a047_d047_i047 0.086 3.3 pair_coeff @atom:901_b047_a047_d047_i047 @atom:901_b047_a047_d047_i047 0.086 3.3 pair_coeff @atom:902_b047_a047_d047_i047 @atom:902_b047_a047_d047_i047 0.086 3.3 pair_coeff @atom:903_b110_a110_d110_i110 @atom:903_b110_a110_d110_i110 0.086 3.3 pair_coeff @atom:904_b110_a110_d110_i110 @atom:904_b110_a110_d110_i110 0.086 3.3 pair_coeff @atom:905_b004_a004_d004_i004 @atom:905_b004_a004_d004_i004 0.21 2.96 pair_coeff @atom:906_b013_a013_d013_i013 @atom:906_b013_a013_d013_i013 0.066 3.5 } #(end of pair_coeffs) # ------- Bonded Interactions: ------- # http://lammps.sandia.gov/doc/bond_harmonic.html # Syntax: # bond_coeff BondTypeName parameters... write_once("In Settings") { bond_coeff @bond:001_002 367.0 1.38 bond_coeff @bond:001_003 420.0 1.357 bond_coeff @bond:001_013 367.0 1.36 bond_coeff @bond:001_019 450.0 1.279 bond_coeff @bond:001_025 300.0 0.3 bond_coeff @bond:001_047 420.0 1.34 bond_coeff @bond:001_048 420.0 1.354 bond_coeff @bond:001_082 420.0 1.354 bond_coeff @bond:001_083 420.0 1.354 bond_coeff @bond:001_084 420.0 1.354 bond_coeff @bond:001_087 420.0 1.354 bond_coeff @bond:001_088 420.0 1.354 bond_coeff @bond:001_108 461.0 1.57 bond_coeff @bond:002_002 260.0 1.526 bond_coeff @bond:002_003 317.0 1.522 bond_coeff @bond:002_005 386.0 1.425 bond_coeff @bond:002_006 260.0 1.526 bond_coeff @bond:002_010 260.0 1.526 bond_coeff @bond:002_011 317.0 1.5 bond_coeff @bond:002_012 317.0 1.51 bond_coeff @bond:002_013 260.0 1.526 bond_coeff @bond:002_014 317.0 1.5 bond_coeff @bond:002_015 222.0 1.81 bond_coeff @bond:002_016 222.0 1.81 bond_coeff @bond:002_020 320.0 1.425 bond_coeff @bond:002_024 337.0 1.449 bond_coeff @bond:002_044 382.0 1.448 bond_coeff @bond:002_048 317.0 1.51 bond_coeff @bond:002_051 260.0 1.526 bond_coeff @bond:002_053 367.0 1.471 bond_coeff @bond:002_055 337.0 1.463 bond_coeff @bond:002_080 317.0 1.495 bond_coeff @bond:003_003 350.0 1.51 bond_coeff @bond:003_004 570.0 1.229 bond_coeff @bond:003_005 450.0 1.364 bond_coeff @bond:003_006 317.0 1.522 bond_coeff @bond:003_010 317.0 1.522 bond_coeff @bond:003_012 469.0 1.4 bond_coeff @bond:003_013 317.0 1.522 bond_coeff @bond:003_019 400.0 1.444 bond_coeff @bond:003_020 214.0 1.327 bond_coeff @bond:003_021 300.0 1.79 bond_coeff @bond:003_024 490.0 1.335 bond_coeff @bond:003_044 317.0 1.522 bond_coeff @bond:003_046 340.0 1.09 bond_coeff @bond:003_047 410.0 1.444 bond_coeff @bond:003_048 400.0 1.49 bond_coeff @bond:003_050 385.0 1.46 bond_coeff @bond:003_052 656.0 1.25 bond_coeff @bond:003_056 457.0 1.358 bond_coeff @bond:003_057 418.0 1.388 bond_coeff @bond:003_060 447.0 1.419 bond_coeff @bond:003_065 300.0 1.98 bond_coeff @bond:003_084 400.0 1.49 bond_coeff @bond:003_086 385.0 1.46 bond_coeff @bond:003_105 424.0 1.383 bond_coeff @bond:003_107 490.0 1.335 bond_coeff @bond:004_025 553.0 0.3 bond_coeff @bond:004_064 525.0 1.48 bond_coeff @bond:004_089 570.0 1.229 bond_coeff @bond:004_110 700.0 1.171 bond_coeff @bond:005_006 386.0 1.425 bond_coeff @bond:005_007 553.0 0.945 bond_coeff @bond:005_010 386.0 1.425 bond_coeff @bond:005_013 320.0 1.41 bond_coeff @bond:005_020 250.0 1.47 bond_coeff @bond:005_024 400.0 1.38 bond_coeff @bond:005_025 340.0 0.3 bond_coeff @bond:005_044 320.0 1.45 bond_coeff @bond:005_047 450.0 1.37 bond_coeff @bond:005_048 450.0 1.364 bond_coeff @bond:005_051 320.0 1.38 bond_coeff @bond:005_064 230.0 1.61 bond_coeff @bond:005_079 450.0 1.67 bond_coeff @bond:005_106 94.0 1.8 bond_coeff @bond:005_108 374.0 1.64 bond_coeff @bond:006_006 260.0 1.526 bond_coeff @bond:006_010 260.0 1.526 bond_coeff @bond:006_011 317.0 1.5 bond_coeff @bond:006_013 260.0 1.526 bond_coeff @bond:006_014 317.0 1.5 bond_coeff @bond:006_015 222.0 1.81 bond_coeff @bond:006_016 222.0 1.81 bond_coeff @bond:006_020 320.0 1.425 bond_coeff @bond:006_024 337.0 1.449 bond_coeff @bond:006_044 382.0 1.448 bond_coeff @bond:006_047 317.0 1.51 bond_coeff @bond:006_051 260.0 1.526 bond_coeff @bond:006_053 367.0 1.471 bond_coeff @bond:006_055 337.0 1.463 bond_coeff @bond:006_079 222.0 1.81 bond_coeff @bond:006_105 337.0 1.475 bond_coeff @bond:007_020 553.0 0.945 bond_coeff @bond:007_025 340.0 0.1 bond_coeff @bond:009_009 530.0 1.34 bond_coeff @bond:009_011 530.0 1.34 bond_coeff @bond:009_014 530.0 1.34 bond_coeff @bond:010_010 260.0 1.526 bond_coeff @bond:010_011 317.0 1.5 bond_coeff @bond:010_014 317.0 1.5 bond_coeff @bond:010_020 320.0 1.425 bond_coeff @bond:010_024 337.0 1.449 bond_coeff @bond:010_044 382.0 1.448 bond_coeff @bond:010_105 337.0 1.475 bond_coeff @bond:011_011 530.0 1.34 bond_coeff @bond:011_013 317.0 1.5 bond_coeff @bond:011_014 530.0 1.34 bond_coeff @bond:011_079 222.0 1.76 bond_coeff @bond:012_012 469.0 1.4 bond_coeff @bond:012_048 469.0 1.4 bond_coeff @bond:012_060 469.0 1.4 bond_coeff @bond:012_081 469.0 1.4 bond_coeff @bond:013_013 268.0 1.529 bond_coeff @bond:013_014 317.0 1.5 bond_coeff @bond:013_015 222.0 1.81 bond_coeff @bond:013_016 222.0 1.81 bond_coeff @bond:013_018 390.0 1.43 bond_coeff @bond:013_019 390.0 1.47 bond_coeff @bond:013_020 320.0 1.41 bond_coeff @bond:013_021 245.0 1.781 bond_coeff @bond:013_022 340.0 1.79 bond_coeff @bond:013_024 337.0 1.449 bond_coeff @bond:013_025 340.0 0.3 bond_coeff @bond:013_044 382.0 1.448 bond_coeff @bond:013_046 340.0 1.09 bond_coeff @bond:013_047 317.0 1.51 bond_coeff @bond:013_048 317.0 1.51 bond_coeff @bond:013_050 317.0 1.51 bond_coeff @bond:013_051 268.0 1.529 bond_coeff @bond:013_053 367.0 1.471 bond_coeff @bond:013_055 337.0 1.463 bond_coeff @bond:013_056 337.0 1.449 bond_coeff @bond:013_057 337.0 1.475 bond_coeff @bond:013_060 317.0 1.51 bond_coeff @bond:013_064 212.0 1.843 bond_coeff @bond:013_065 245.0 1.945 bond_coeff @bond:013_066 200.0 2.19 bond_coeff @bond:013_079 340.0 1.77 bond_coeff @bond:013_080 317.0 1.495 bond_coeff @bond:013_083 317.0 1.504 bond_coeff @bond:013_084 317.0 1.504 bond_coeff @bond:013_085 317.0 1.504 bond_coeff @bond:013_087 317.0 1.495 bond_coeff @bond:013_090 337.0 1.449 bond_coeff @bond:013_091 280.0 1.51 bond_coeff @bond:013_095 532.8 1.46 bond_coeff @bond:013_101 382.0 1.448 bond_coeff @bond:013_102 375.0 1.49 bond_coeff @bond:013_104 212.0 1.82 bond_coeff @bond:013_105 337.0 1.475 bond_coeff @bond:013_107 337.0 1.449 bond_coeff @bond:013_108 187.0 1.86 bond_coeff @bond:013_109 317.0 1.51 bond_coeff @bond:014_014 530.0 1.34 bond_coeff @bond:015_017 274.0 1.336 bond_coeff @bond:015_048 250.0 1.74 bond_coeff @bond:016_016 166.0 2.038 bond_coeff @bond:016_019 300.0 1.685 bond_coeff @bond:016_024 250.0 1.73 bond_coeff @bond:016_025 340.0 0.5 bond_coeff @bond:016_047 250.0 1.76 bond_coeff @bond:016_048 250.0 1.76 bond_coeff @bond:016_061 250.0 1.73 bond_coeff @bond:016_082 250.0 1.76 bond_coeff @bond:016_084 250.0 1.74 bond_coeff @bond:016_091 222.0 1.81 bond_coeff @bond:016_108 144.0 2.15 bond_coeff @bond:017_025 340.0 0.1 bond_coeff @bond:018_018 550.0 1.12 bond_coeff @bond:018_019 650.0 1.157 bond_coeff @bond:018_048 400.0 1.41 bond_coeff @bond:018_056 550.0 1.24 bond_coeff @bond:019_019 1150.0 1.21 bond_coeff @bond:019_021 330.0 1.637 bond_coeff @bond:019_046 420.0 1.08 bond_coeff @bond:019_047 400.0 1.426 bond_coeff @bond:019_048 400.0 1.451 bond_coeff @bond:019_050 400.0 1.426 bond_coeff @bond:019_065 330.0 1.784 bond_coeff @bond:019_088 400.0 1.451 bond_coeff @bond:019_091 400.0 1.451 bond_coeff @bond:020_020 250.0 1.47 bond_coeff @bond:020_021 200.0 1.69 bond_coeff @bond:020_024 320.0 1.45 bond_coeff @bond:020_025 340.0 0.3 bond_coeff @bond:020_044 320.0 1.45 bond_coeff @bond:020_047 450.0 1.37 bond_coeff @bond:020_048 450.0 1.364 bond_coeff @bond:020_051 320.0 1.38 bond_coeff @bond:020_060 340.0 1.36 bond_coeff @bond:020_061 462.0 1.399 bond_coeff @bond:020_064 230.0 1.61 bond_coeff @bond:020_082 462.0 1.357 bond_coeff @bond:020_084 340.0 1.36 bond_coeff @bond:020_108 374.0 1.64 bond_coeff @bond:021_025 300.0 0.3 bond_coeff @bond:021_047 300.0 1.725 bond_coeff @bond:021_048 300.0 1.725 bond_coeff @bond:021_082 300.0 1.725 bond_coeff @bond:021_083 300.0 1.725 bond_coeff @bond:021_084 300.0 1.725 bond_coeff @bond:021_087 300.0 1.725 bond_coeff @bond:021_088 300.0 1.725 bond_coeff @bond:021_108 223.0 2.02 bond_coeff @bond:022_023 700.0 1.53 bond_coeff @bond:022_025 340.0 0.5 bond_coeff @bond:023_025 340.0 0.3 bond_coeff @bond:023_079 700.0 1.44 bond_coeff @bond:024_025 367.0 0.3 bond_coeff @bond:024_045 434.0 1.01 bond_coeff @bond:024_048 427.0 1.381 bond_coeff @bond:024_059 427.0 1.381 bond_coeff @bond:024_079 434.0 1.67 bond_coeff @bond:024_084 427.0 1.381 bond_coeff @bond:024_088 427.0 1.381 bond_coeff @bond:024_091 337.0 1.449 bond_coeff @bond:024_103 500.0 1.27 bond_coeff @bond:024_106 40.0 2.05 bond_coeff @bond:025_025 340.0 0.3 bond_coeff @bond:025_044 340.0 0.3 bond_coeff @bond:025_045 340.0 0.1 bond_coeff @bond:025_046 340.0 0.3 bond_coeff @bond:025_047 340.0 0.3 bond_coeff @bond:025_048 367.0 0.3 bond_coeff @bond:025_049 340.0 0.3 bond_coeff @bond:025_053 340.0 0.3 bond_coeff @bond:025_056 367.0 0.3 bond_coeff @bond:025_061 367.0 0.3 bond_coeff @bond:025_065 300.0 0.3 bond_coeff @bond:025_103 340.0 0.1 bond_coeff @bond:031_032 600.0 0.9572 bond_coeff @bond:031_033 900.0 0.15 bond_coeff @bond:031_106 40.0 2.05 bond_coeff @bond:034_035 529.6 0.9572 bond_coeff @bond:036_037 600.0 0.9572 bond_coeff @bond:036_038 900.0 0.175 bond_coeff @bond:039_040 600.0 0.9572 bond_coeff @bond:039_041 900.0 0.7 bond_coeff @bond:042_043 600.0 1.0 bond_coeff @bond:044_044 350.0 1.445 bond_coeff @bond:044_045 434.0 1.01 bond_coeff @bond:044_048 481.0 1.34 bond_coeff @bond:044_079 340.0 1.77 bond_coeff @bond:044_091 382.0 1.448 bond_coeff @bond:044_108 266.0 1.74 bond_coeff @bond:045_053 434.0 1.01 bond_coeff @bond:045_055 434.0 1.01 bond_coeff @bond:045_056 434.0 1.01 bond_coeff @bond:045_057 434.0 1.01 bond_coeff @bond:045_101 434.0 1.01 bond_coeff @bond:045_105 434.0 1.01 bond_coeff @bond:045_108 166.0 1.48 bond_coeff @bond:046_047 340.0 1.08 bond_coeff @bond:046_050 340.0 1.08 bond_coeff @bond:046_051 340.0 1.09 bond_coeff @bond:046_080 340.0 1.08 bond_coeff @bond:046_091 340.0 1.088 bond_coeff @bond:046_095 532.8 1.084 bond_coeff @bond:046_108 166.0 1.48 bond_coeff @bond:046_109 340.0 1.08 bond_coeff @bond:047_047 549.0 1.34 bond_coeff @bond:047_048 427.0 1.433 bond_coeff @bond:047_050 549.0 1.34 bond_coeff @bond:047_057 448.0 1.365 bond_coeff @bond:047_058 367.0 1.08 bond_coeff @bond:047_065 300.0 1.9 bond_coeff @bond:047_066 250.0 2.08 bond_coeff @bond:047_086 385.0 1.46 bond_coeff @bond:047_091 317.0 1.51 bond_coeff @bond:047_105 448.0 1.365 bond_coeff @bond:047_110 700.0 1.305 bond_coeff @bond:048_048 469.0 1.4 bond_coeff @bond:048_049 367.0 1.08 bond_coeff @bond:048_050 427.0 1.433 bond_coeff @bond:048_053 400.0 1.45 bond_coeff @bond:048_055 481.0 1.34 bond_coeff @bond:048_056 483.0 1.339 bond_coeff @bond:048_057 427.0 1.381 bond_coeff @bond:048_060 469.0 1.404 bond_coeff @bond:048_061 414.0 1.391 bond_coeff @bond:048_064 220.0 1.78 bond_coeff @bond:048_065 300.0 1.87 bond_coeff @bond:048_066 250.0 2.08 bond_coeff @bond:048_079 340.0 1.77 bond_coeff @bond:048_081 469.0 1.4 bond_coeff @bond:048_084 546.0 1.367 bond_coeff @bond:048_086 469.0 1.4 bond_coeff @bond:048_088 469.0 1.421 bond_coeff @bond:048_091 317.0 1.49 bond_coeff @bond:048_101 382.0 1.385 bond_coeff @bond:048_102 400.0 1.46 bond_coeff @bond:048_109 427.0 1.433 bond_coeff @bond:049_059 367.0 1.08 bond_coeff @bond:049_062 340.0 1.08 bond_coeff @bond:049_082 367.0 1.08 bond_coeff @bond:049_083 367.0 1.08 bond_coeff @bond:049_084 367.0 1.08 bond_coeff @bond:049_085 367.0 1.08 bond_coeff @bond:049_087 367.0 1.08 bond_coeff @bond:049_088 367.0 1.08 bond_coeff @bond:050_050 385.0 1.46 bond_coeff @bond:050_056 457.0 1.29 bond_coeff @bond:050_084 549.0 1.365 bond_coeff @bond:050_109 385.0 1.46 bond_coeff @bond:051_105 337.0 1.475 bond_coeff @bond:052_064 525.0 1.48 bond_coeff @bond:053_054 434.0 1.01 bond_coeff @bond:054_055 434.0 1.01 bond_coeff @bond:055_059 481.0 1.34 bond_coeff @bond:055_082 481.0 1.34 bond_coeff @bond:056_056 500.0 1.32 bond_coeff @bond:056_059 502.0 1.324 bond_coeff @bond:056_060 461.0 1.354 bond_coeff @bond:056_082 461.0 1.354 bond_coeff @bond:056_086 483.0 1.339 bond_coeff @bond:056_103 550.0 1.21 bond_coeff @bond:056_109 457.0 1.29 bond_coeff @bond:057_060 436.0 1.374 bond_coeff @bond:057_061 400.0 1.349 bond_coeff @bond:057_062 440.0 1.371 bond_coeff @bond:057_081 428.0 1.38 bond_coeff @bond:057_082 477.0 1.343 bond_coeff @bond:057_084 427.0 1.381 bond_coeff @bond:057_085 427.0 1.381 bond_coeff @bond:057_086 385.0 1.44 bond_coeff @bond:058_083 367.0 1.08 bond_coeff @bond:058_084 367.0 1.08 bond_coeff @bond:059_063 367.0 1.08 bond_coeff @bond:060_060 520.0 1.37 bond_coeff @bond:060_061 414.0 1.391 bond_coeff @bond:060_080 388.0 1.459 bond_coeff @bond:060_081 447.0 1.419 bond_coeff @bond:060_087 469.0 1.424 bond_coeff @bond:060_105 436.0 1.374 bond_coeff @bond:061_061 400.0 1.28 bond_coeff @bond:061_062 529.0 1.304 bond_coeff @bond:061_082 488.0 1.335 bond_coeff @bond:061_083 410.0 1.394 bond_coeff @bond:061_084 410.0 1.394 bond_coeff @bond:061_088 410.0 1.32 bond_coeff @bond:062_063 367.0 1.08 bond_coeff @bond:062_105 440.0 1.371 bond_coeff @bond:063_082 367.0 1.08 bond_coeff @bond:064_108 108.0 2.25 bond_coeff @bond:065_082 300.0 1.87 bond_coeff @bond:065_083 300.0 1.87 bond_coeff @bond:065_084 300.0 1.87 bond_coeff @bond:065_087 300.0 1.87 bond_coeff @bond:065_088 300.0 1.87 bond_coeff @bond:065_108 151.0 2.19 bond_coeff @bond:066_082 250.0 2.08 bond_coeff @bond:066_083 250.0 2.08 bond_coeff @bond:066_084 250.0 2.08 bond_coeff @bond:066_087 250.0 2.08 bond_coeff @bond:066_088 250.0 2.08 bond_coeff @bond:066_108 108.0 2.44 bond_coeff @bond:077_078 500.0 1.8 bond_coeff @bond:080_084 546.0 1.352 bond_coeff @bond:082_086 385.0 1.46 bond_coeff @bond:082_087 520.0 1.37 bond_coeff @bond:083_084 520.0 1.37 bond_coeff @bond:083_086 385.0 1.46 bond_coeff @bond:084_084 512.0 1.375 bond_coeff @bond:084_086 385.0 1.46 bond_coeff @bond:084_087 546.0 1.367 bond_coeff @bond:084_088 520.0 1.37 bond_coeff @bond:085_085 520.0 1.37 bond_coeff @bond:086_086 385.0 1.46 bond_coeff @bond:086_087 385.0 1.46 bond_coeff @bond:086_088 385.0 1.46 bond_coeff @bond:087_087 469.0 1.424 bond_coeff @bond:087_088 469.0 1.424 bond_coeff @bond:089_090 490.0 1.335 bond_coeff @bond:089_091 317.0 1.522 bond_coeff @bond:090_091 337.0 1.449 bond_coeff @bond:091_091 260.0 1.52 bond_coeff @bond:102_103 550.0 1.225 bond_coeff @bond:108_108 94.0 2.32 bond_coeff @bond:109_109 549.0 1.345 } #(end of bond_coeffs) # Rules for assigning bond types by atom type: # BondTypeName AtomType1 AtomType2 # (* = wildcard) write_once("Data Bonds By Type") { @bond:001_002 @atom:*_b001*_a*_d*_i* @atom:*_b002*_a*_d*_i* @bond:001_003 @atom:*_b001*_a*_d*_i* @atom:*_b003*_a*_d*_i* @bond:001_013 @atom:*_b001*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:001_019 @atom:*_b001*_a*_d*_i* @atom:*_b019*_a*_d*_i* @bond:001_025 @atom:*_b001*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:001_047 @atom:*_b001*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:001_048 @atom:*_b001*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:001_082 @atom:*_b001*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:001_083 @atom:*_b001*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:001_084 @atom:*_b001*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:001_087 @atom:*_b001*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:001_088 @atom:*_b001*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:001_108 @atom:*_b001*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:002_002 @atom:*_b002*_a*_d*_i* @atom:*_b002*_a*_d*_i* @bond:002_003 @atom:*_b002*_a*_d*_i* @atom:*_b003*_a*_d*_i* @bond:002_005 @atom:*_b002*_a*_d*_i* @atom:*_b005*_a*_d*_i* @bond:002_006 @atom:*_b002*_a*_d*_i* @atom:*_b006*_a*_d*_i* @bond:002_010 @atom:*_b002*_a*_d*_i* @atom:*_b010*_a*_d*_i* @bond:002_011 @atom:*_b002*_a*_d*_i* @atom:*_b011*_a*_d*_i* @bond:002_012 @atom:*_b002*_a*_d*_i* @atom:*_b012*_a*_d*_i* @bond:002_013 @atom:*_b002*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:002_014 @atom:*_b002*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:002_015 @atom:*_b002*_a*_d*_i* @atom:*_b015*_a*_d*_i* @bond:002_016 @atom:*_b002*_a*_d*_i* @atom:*_b016*_a*_d*_i* @bond:002_020 @atom:*_b002*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:002_024 @atom:*_b002*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:002_044 @atom:*_b002*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:002_048 @atom:*_b002*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:002_051 @atom:*_b002*_a*_d*_i* @atom:*_b051*_a*_d*_i* @bond:002_053 @atom:*_b002*_a*_d*_i* @atom:*_b053*_a*_d*_i* @bond:002_055 @atom:*_b002*_a*_d*_i* @atom:*_b055*_a*_d*_i* @bond:002_080 @atom:*_b002*_a*_d*_i* @atom:*_b080*_a*_d*_i* @bond:003_003 @atom:*_b003*_a*_d*_i* @atom:*_b003*_a*_d*_i* @bond:003_004 @atom:*_b003*_a*_d*_i* @atom:*_b004*_a*_d*_i* @bond:003_005 @atom:*_b003*_a*_d*_i* @atom:*_b005*_a*_d*_i* @bond:003_006 @atom:*_b003*_a*_d*_i* @atom:*_b006*_a*_d*_i* @bond:003_010 @atom:*_b003*_a*_d*_i* @atom:*_b010*_a*_d*_i* @bond:003_012 @atom:*_b003*_a*_d*_i* @atom:*_b012*_a*_d*_i* @bond:003_013 @atom:*_b003*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:003_019 @atom:*_b003*_a*_d*_i* @atom:*_b019*_a*_d*_i* @bond:003_020 @atom:*_b003*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:003_021 @atom:*_b003*_a*_d*_i* @atom:*_b021*_a*_d*_i* @bond:003_024 @atom:*_b003*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:003_044 @atom:*_b003*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:003_046 @atom:*_b003*_a*_d*_i* @atom:*_b046*_a*_d*_i* @bond:003_047 @atom:*_b003*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:003_048 @atom:*_b003*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:003_050 @atom:*_b003*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:003_052 @atom:*_b003*_a*_d*_i* @atom:*_b052*_a*_d*_i* @bond:003_056 @atom:*_b003*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:003_057 @atom:*_b003*_a*_d*_i* @atom:*_b057*_a*_d*_i* @bond:003_060 @atom:*_b003*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:003_065 @atom:*_b003*_a*_d*_i* @atom:*_b065*_a*_d*_i* @bond:003_084 @atom:*_b003*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:003_086 @atom:*_b003*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:003_105 @atom:*_b003*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:003_107 @atom:*_b003*_a*_d*_i* @atom:*_b107*_a*_d*_i* @bond:004_025 @atom:*_b004*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:004_064 @atom:*_b004*_a*_d*_i* @atom:*_b064*_a*_d*_i* @bond:004_089 @atom:*_b004*_a*_d*_i* @atom:*_b089*_a*_d*_i* @bond:004_110 @atom:*_b004*_a*_d*_i* @atom:*_b110*_a*_d*_i* @bond:005_006 @atom:*_b005*_a*_d*_i* @atom:*_b006*_a*_d*_i* @bond:005_007 @atom:*_b005*_a*_d*_i* @atom:*_b007*_a*_d*_i* @bond:005_010 @atom:*_b005*_a*_d*_i* @atom:*_b010*_a*_d*_i* @bond:005_013 @atom:*_b005*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:005_020 @atom:*_b005*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:005_024 @atom:*_b005*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:005_025 @atom:*_b005*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:005_044 @atom:*_b005*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:005_047 @atom:*_b005*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:005_048 @atom:*_b005*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:005_051 @atom:*_b005*_a*_d*_i* @atom:*_b051*_a*_d*_i* @bond:005_064 @atom:*_b005*_a*_d*_i* @atom:*_b064*_a*_d*_i* @bond:005_079 @atom:*_b005*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:005_106 @atom:*_b005*_a*_d*_i* @atom:*_b106*_a*_d*_i* @bond:005_108 @atom:*_b005*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:006_006 @atom:*_b006*_a*_d*_i* @atom:*_b006*_a*_d*_i* @bond:006_010 @atom:*_b006*_a*_d*_i* @atom:*_b010*_a*_d*_i* @bond:006_011 @atom:*_b006*_a*_d*_i* @atom:*_b011*_a*_d*_i* @bond:006_013 @atom:*_b006*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:006_014 @atom:*_b006*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:006_015 @atom:*_b006*_a*_d*_i* @atom:*_b015*_a*_d*_i* @bond:006_016 @atom:*_b006*_a*_d*_i* @atom:*_b016*_a*_d*_i* @bond:006_020 @atom:*_b006*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:006_024 @atom:*_b006*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:006_044 @atom:*_b006*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:006_047 @atom:*_b006*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:006_051 @atom:*_b006*_a*_d*_i* @atom:*_b051*_a*_d*_i* @bond:006_053 @atom:*_b006*_a*_d*_i* @atom:*_b053*_a*_d*_i* @bond:006_055 @atom:*_b006*_a*_d*_i* @atom:*_b055*_a*_d*_i* @bond:006_079 @atom:*_b006*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:006_105 @atom:*_b006*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:007_020 @atom:*_b007*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:007_025 @atom:*_b007*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:009_009 @atom:*_b009*_a*_d*_i* @atom:*_b009*_a*_d*_i* @bond:009_011 @atom:*_b009*_a*_d*_i* @atom:*_b011*_a*_d*_i* @bond:009_014 @atom:*_b009*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:010_010 @atom:*_b010*_a*_d*_i* @atom:*_b010*_a*_d*_i* @bond:010_011 @atom:*_b010*_a*_d*_i* @atom:*_b011*_a*_d*_i* @bond:010_014 @atom:*_b010*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:010_020 @atom:*_b010*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:010_024 @atom:*_b010*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:010_044 @atom:*_b010*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:010_105 @atom:*_b010*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:011_011 @atom:*_b011*_a*_d*_i* @atom:*_b011*_a*_d*_i* @bond:011_013 @atom:*_b011*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:011_014 @atom:*_b011*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:011_079 @atom:*_b011*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:012_012 @atom:*_b012*_a*_d*_i* @atom:*_b012*_a*_d*_i* @bond:012_048 @atom:*_b012*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:012_060 @atom:*_b012*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:012_081 @atom:*_b012*_a*_d*_i* @atom:*_b081*_a*_d*_i* @bond:013_013 @atom:*_b013*_a*_d*_i* @atom:*_b013*_a*_d*_i* @bond:013_014 @atom:*_b013*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:013_015 @atom:*_b013*_a*_d*_i* @atom:*_b015*_a*_d*_i* @bond:013_016 @atom:*_b013*_a*_d*_i* @atom:*_b016*_a*_d*_i* @bond:013_018 @atom:*_b013*_a*_d*_i* @atom:*_b018*_a*_d*_i* @bond:013_019 @atom:*_b013*_a*_d*_i* @atom:*_b019*_a*_d*_i* @bond:013_020 @atom:*_b013*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:013_021 @atom:*_b013*_a*_d*_i* @atom:*_b021*_a*_d*_i* @bond:013_022 @atom:*_b013*_a*_d*_i* @atom:*_b022*_a*_d*_i* @bond:013_024 @atom:*_b013*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:013_025 @atom:*_b013*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:013_044 @atom:*_b013*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:013_046 @atom:*_b013*_a*_d*_i* @atom:*_b046*_a*_d*_i* @bond:013_047 @atom:*_b013*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:013_048 @atom:*_b013*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:013_050 @atom:*_b013*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:013_051 @atom:*_b013*_a*_d*_i* @atom:*_b051*_a*_d*_i* @bond:013_053 @atom:*_b013*_a*_d*_i* @atom:*_b053*_a*_d*_i* @bond:013_055 @atom:*_b013*_a*_d*_i* @atom:*_b055*_a*_d*_i* @bond:013_056 @atom:*_b013*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:013_057 @atom:*_b013*_a*_d*_i* @atom:*_b057*_a*_d*_i* @bond:013_060 @atom:*_b013*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:013_064 @atom:*_b013*_a*_d*_i* @atom:*_b064*_a*_d*_i* @bond:013_065 @atom:*_b013*_a*_d*_i* @atom:*_b065*_a*_d*_i* @bond:013_066 @atom:*_b013*_a*_d*_i* @atom:*_b066*_a*_d*_i* @bond:013_079 @atom:*_b013*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:013_080 @atom:*_b013*_a*_d*_i* @atom:*_b080*_a*_d*_i* @bond:013_083 @atom:*_b013*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:013_084 @atom:*_b013*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:013_085 @atom:*_b013*_a*_d*_i* @atom:*_b085*_a*_d*_i* @bond:013_087 @atom:*_b013*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:013_090 @atom:*_b013*_a*_d*_i* @atom:*_b090*_a*_d*_i* @bond:013_091 @atom:*_b013*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:013_095 @atom:*_b013*_a*_d*_i* @atom:*_b095*_a*_d*_i* @bond:013_101 @atom:*_b013*_a*_d*_i* @atom:*_b101*_a*_d*_i* @bond:013_102 @atom:*_b013*_a*_d*_i* @atom:*_b102*_a*_d*_i* @bond:013_104 @atom:*_b013*_a*_d*_i* @atom:*_b104*_a*_d*_i* @bond:013_105 @atom:*_b013*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:013_107 @atom:*_b013*_a*_d*_i* @atom:*_b107*_a*_d*_i* @bond:013_108 @atom:*_b013*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:013_109 @atom:*_b013*_a*_d*_i* @atom:*_b109*_a*_d*_i* @bond:014_014 @atom:*_b014*_a*_d*_i* @atom:*_b014*_a*_d*_i* @bond:015_017 @atom:*_b015*_a*_d*_i* @atom:*_b017*_a*_d*_i* @bond:015_048 @atom:*_b015*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:016_016 @atom:*_b016*_a*_d*_i* @atom:*_b016*_a*_d*_i* @bond:016_019 @atom:*_b016*_a*_d*_i* @atom:*_b019*_a*_d*_i* @bond:016_024 @atom:*_b016*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:016_025 @atom:*_b016*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:016_047 @atom:*_b016*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:016_048 @atom:*_b016*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:016_061 @atom:*_b016*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:016_082 @atom:*_b016*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:016_084 @atom:*_b016*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:016_091 @atom:*_b016*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:016_108 @atom:*_b016*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:017_025 @atom:*_b017*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:018_018 @atom:*_b018*_a*_d*_i* @atom:*_b018*_a*_d*_i* @bond:018_019 @atom:*_b018*_a*_d*_i* @atom:*_b019*_a*_d*_i* @bond:018_048 @atom:*_b018*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:018_056 @atom:*_b018*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:019_019 @atom:*_b019*_a*_d*_i* @atom:*_b019*_a*_d*_i* @bond:019_021 @atom:*_b019*_a*_d*_i* @atom:*_b021*_a*_d*_i* @bond:019_046 @atom:*_b019*_a*_d*_i* @atom:*_b046*_a*_d*_i* @bond:019_047 @atom:*_b019*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:019_048 @atom:*_b019*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:019_050 @atom:*_b019*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:019_065 @atom:*_b019*_a*_d*_i* @atom:*_b065*_a*_d*_i* @bond:019_088 @atom:*_b019*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:019_091 @atom:*_b019*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:020_020 @atom:*_b020*_a*_d*_i* @atom:*_b020*_a*_d*_i* @bond:020_021 @atom:*_b020*_a*_d*_i* @atom:*_b021*_a*_d*_i* @bond:020_024 @atom:*_b020*_a*_d*_i* @atom:*_b024*_a*_d*_i* @bond:020_025 @atom:*_b020*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:020_044 @atom:*_b020*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:020_047 @atom:*_b020*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:020_048 @atom:*_b020*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:020_051 @atom:*_b020*_a*_d*_i* @atom:*_b051*_a*_d*_i* @bond:020_060 @atom:*_b020*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:020_061 @atom:*_b020*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:020_064 @atom:*_b020*_a*_d*_i* @atom:*_b064*_a*_d*_i* @bond:020_082 @atom:*_b020*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:020_084 @atom:*_b020*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:020_108 @atom:*_b020*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:021_025 @atom:*_b021*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:021_047 @atom:*_b021*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:021_048 @atom:*_b021*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:021_082 @atom:*_b021*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:021_083 @atom:*_b021*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:021_084 @atom:*_b021*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:021_087 @atom:*_b021*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:021_088 @atom:*_b021*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:021_108 @atom:*_b021*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:022_023 @atom:*_b022*_a*_d*_i* @atom:*_b023*_a*_d*_i* @bond:022_025 @atom:*_b022*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:023_025 @atom:*_b023*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:023_079 @atom:*_b023*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:024_025 @atom:*_b024*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:024_045 @atom:*_b024*_a*_d*_i* @atom:*_b045*_a*_d*_i* @bond:024_048 @atom:*_b024*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:024_059 @atom:*_b024*_a*_d*_i* @atom:*_b059*_a*_d*_i* @bond:024_079 @atom:*_b024*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:024_084 @atom:*_b024*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:024_088 @atom:*_b024*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:024_091 @atom:*_b024*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:024_103 @atom:*_b024*_a*_d*_i* @atom:*_b103*_a*_d*_i* @bond:024_106 @atom:*_b024*_a*_d*_i* @atom:*_b106*_a*_d*_i* @bond:025_025 @atom:*_b025*_a*_d*_i* @atom:*_b025*_a*_d*_i* @bond:025_044 @atom:*_b025*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:025_045 @atom:*_b025*_a*_d*_i* @atom:*_b045*_a*_d*_i* @bond:025_046 @atom:*_b025*_a*_d*_i* @atom:*_b046*_a*_d*_i* @bond:025_047 @atom:*_b025*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:025_048 @atom:*_b025*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:025_049 @atom:*_b025*_a*_d*_i* @atom:*_b049*_a*_d*_i* @bond:025_053 @atom:*_b025*_a*_d*_i* @atom:*_b053*_a*_d*_i* @bond:025_056 @atom:*_b025*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:025_061 @atom:*_b025*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:025_065 @atom:*_b025*_a*_d*_i* @atom:*_b065*_a*_d*_i* @bond:025_103 @atom:*_b025*_a*_d*_i* @atom:*_b103*_a*_d*_i* @bond:031_032 @atom:*_b031*_a*_d*_i* @atom:*_b032*_a*_d*_i* @bond:031_033 @atom:*_b031*_a*_d*_i* @atom:*_b033*_a*_d*_i* @bond:031_106 @atom:*_b031*_a*_d*_i* @atom:*_b106*_a*_d*_i* @bond:034_035 @atom:*_b034*_a*_d*_i* @atom:*_b035*_a*_d*_i* @bond:036_037 @atom:*_b036*_a*_d*_i* @atom:*_b037*_a*_d*_i* @bond:036_038 @atom:*_b036*_a*_d*_i* @atom:*_b038*_a*_d*_i* @bond:039_040 @atom:*_b039*_a*_d*_i* @atom:*_b040*_a*_d*_i* @bond:039_041 @atom:*_b039*_a*_d*_i* @atom:*_b041*_a*_d*_i* @bond:042_043 @atom:*_b042*_a*_d*_i* @atom:*_b043*_a*_d*_i* @bond:044_044 @atom:*_b044*_a*_d*_i* @atom:*_b044*_a*_d*_i* @bond:044_045 @atom:*_b044*_a*_d*_i* @atom:*_b045*_a*_d*_i* @bond:044_048 @atom:*_b044*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:044_079 @atom:*_b044*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:044_091 @atom:*_b044*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:044_108 @atom:*_b044*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:045_053 @atom:*_b045*_a*_d*_i* @atom:*_b053*_a*_d*_i* @bond:045_055 @atom:*_b045*_a*_d*_i* @atom:*_b055*_a*_d*_i* @bond:045_056 @atom:*_b045*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:045_057 @atom:*_b045*_a*_d*_i* @atom:*_b057*_a*_d*_i* @bond:045_101 @atom:*_b045*_a*_d*_i* @atom:*_b101*_a*_d*_i* @bond:045_105 @atom:*_b045*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:045_108 @atom:*_b045*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:046_047 @atom:*_b046*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:046_050 @atom:*_b046*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:046_051 @atom:*_b046*_a*_d*_i* @atom:*_b051*_a*_d*_i* @bond:046_080 @atom:*_b046*_a*_d*_i* @atom:*_b080*_a*_d*_i* @bond:046_091 @atom:*_b046*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:046_095 @atom:*_b046*_a*_d*_i* @atom:*_b095*_a*_d*_i* @bond:046_108 @atom:*_b046*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:046_109 @atom:*_b046*_a*_d*_i* @atom:*_b109*_a*_d*_i* @bond:047_047 @atom:*_b047*_a*_d*_i* @atom:*_b047*_a*_d*_i* @bond:047_048 @atom:*_b047*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:047_050 @atom:*_b047*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:047_057 @atom:*_b047*_a*_d*_i* @atom:*_b057*_a*_d*_i* @bond:047_058 @atom:*_b047*_a*_d*_i* @atom:*_b058*_a*_d*_i* @bond:047_065 @atom:*_b047*_a*_d*_i* @atom:*_b065*_a*_d*_i* @bond:047_066 @atom:*_b047*_a*_d*_i* @atom:*_b066*_a*_d*_i* @bond:047_086 @atom:*_b047*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:047_091 @atom:*_b047*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:047_105 @atom:*_b047*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:047_110 @atom:*_b047*_a*_d*_i* @atom:*_b110*_a*_d*_i* @bond:048_048 @atom:*_b048*_a*_d*_i* @atom:*_b048*_a*_d*_i* @bond:048_049 @atom:*_b048*_a*_d*_i* @atom:*_b049*_a*_d*_i* @bond:048_050 @atom:*_b048*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:048_053 @atom:*_b048*_a*_d*_i* @atom:*_b053*_a*_d*_i* @bond:048_055 @atom:*_b048*_a*_d*_i* @atom:*_b055*_a*_d*_i* @bond:048_056 @atom:*_b048*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:048_057 @atom:*_b048*_a*_d*_i* @atom:*_b057*_a*_d*_i* @bond:048_060 @atom:*_b048*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:048_061 @atom:*_b048*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:048_064 @atom:*_b048*_a*_d*_i* @atom:*_b064*_a*_d*_i* @bond:048_065 @atom:*_b048*_a*_d*_i* @atom:*_b065*_a*_d*_i* @bond:048_066 @atom:*_b048*_a*_d*_i* @atom:*_b066*_a*_d*_i* @bond:048_079 @atom:*_b048*_a*_d*_i* @atom:*_b079*_a*_d*_i* @bond:048_081 @atom:*_b048*_a*_d*_i* @atom:*_b081*_a*_d*_i* @bond:048_084 @atom:*_b048*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:048_086 @atom:*_b048*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:048_088 @atom:*_b048*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:048_091 @atom:*_b048*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:048_101 @atom:*_b048*_a*_d*_i* @atom:*_b101*_a*_d*_i* @bond:048_102 @atom:*_b048*_a*_d*_i* @atom:*_b102*_a*_d*_i* @bond:048_109 @atom:*_b048*_a*_d*_i* @atom:*_b109*_a*_d*_i* @bond:049_059 @atom:*_b049*_a*_d*_i* @atom:*_b059*_a*_d*_i* @bond:049_062 @atom:*_b049*_a*_d*_i* @atom:*_b062*_a*_d*_i* @bond:049_082 @atom:*_b049*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:049_083 @atom:*_b049*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:049_084 @atom:*_b049*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:049_085 @atom:*_b049*_a*_d*_i* @atom:*_b085*_a*_d*_i* @bond:049_087 @atom:*_b049*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:049_088 @atom:*_b049*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:050_050 @atom:*_b050*_a*_d*_i* @atom:*_b050*_a*_d*_i* @bond:050_056 @atom:*_b050*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:050_084 @atom:*_b050*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:050_109 @atom:*_b050*_a*_d*_i* @atom:*_b109*_a*_d*_i* @bond:051_105 @atom:*_b051*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:052_064 @atom:*_b052*_a*_d*_i* @atom:*_b064*_a*_d*_i* @bond:053_054 @atom:*_b053*_a*_d*_i* @atom:*_b054*_a*_d*_i* @bond:054_055 @atom:*_b054*_a*_d*_i* @atom:*_b055*_a*_d*_i* @bond:055_059 @atom:*_b055*_a*_d*_i* @atom:*_b059*_a*_d*_i* @bond:055_082 @atom:*_b055*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:056_056 @atom:*_b056*_a*_d*_i* @atom:*_b056*_a*_d*_i* @bond:056_059 @atom:*_b056*_a*_d*_i* @atom:*_b059*_a*_d*_i* @bond:056_060 @atom:*_b056*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:056_082 @atom:*_b056*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:056_086 @atom:*_b056*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:056_103 @atom:*_b056*_a*_d*_i* @atom:*_b103*_a*_d*_i* @bond:056_109 @atom:*_b056*_a*_d*_i* @atom:*_b109*_a*_d*_i* @bond:057_060 @atom:*_b057*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:057_061 @atom:*_b057*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:057_062 @atom:*_b057*_a*_d*_i* @atom:*_b062*_a*_d*_i* @bond:057_081 @atom:*_b057*_a*_d*_i* @atom:*_b081*_a*_d*_i* @bond:057_082 @atom:*_b057*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:057_084 @atom:*_b057*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:057_085 @atom:*_b057*_a*_d*_i* @atom:*_b085*_a*_d*_i* @bond:057_086 @atom:*_b057*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:058_083 @atom:*_b058*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:058_084 @atom:*_b058*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:059_063 @atom:*_b059*_a*_d*_i* @atom:*_b063*_a*_d*_i* @bond:060_060 @atom:*_b060*_a*_d*_i* @atom:*_b060*_a*_d*_i* @bond:060_061 @atom:*_b060*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:060_080 @atom:*_b060*_a*_d*_i* @atom:*_b080*_a*_d*_i* @bond:060_081 @atom:*_b060*_a*_d*_i* @atom:*_b081*_a*_d*_i* @bond:060_087 @atom:*_b060*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:060_105 @atom:*_b060*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:061_061 @atom:*_b061*_a*_d*_i* @atom:*_b061*_a*_d*_i* @bond:061_062 @atom:*_b061*_a*_d*_i* @atom:*_b062*_a*_d*_i* @bond:061_082 @atom:*_b061*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:061_083 @atom:*_b061*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:061_084 @atom:*_b061*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:061_088 @atom:*_b061*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:062_063 @atom:*_b062*_a*_d*_i* @atom:*_b063*_a*_d*_i* @bond:062_105 @atom:*_b062*_a*_d*_i* @atom:*_b105*_a*_d*_i* @bond:063_082 @atom:*_b063*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:064_108 @atom:*_b064*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:065_082 @atom:*_b065*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:065_083 @atom:*_b065*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:065_084 @atom:*_b065*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:065_087 @atom:*_b065*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:065_088 @atom:*_b065*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:065_108 @atom:*_b065*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:066_082 @atom:*_b066*_a*_d*_i* @atom:*_b082*_a*_d*_i* @bond:066_083 @atom:*_b066*_a*_d*_i* @atom:*_b083*_a*_d*_i* @bond:066_084 @atom:*_b066*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:066_087 @atom:*_b066*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:066_088 @atom:*_b066*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:066_108 @atom:*_b066*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:077_078 @atom:*_b077*_a*_d*_i* @atom:*_b078*_a*_d*_i* @bond:080_084 @atom:*_b080*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:082_086 @atom:*_b082*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:082_087 @atom:*_b082*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:083_084 @atom:*_b083*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:083_086 @atom:*_b083*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:084_084 @atom:*_b084*_a*_d*_i* @atom:*_b084*_a*_d*_i* @bond:084_086 @atom:*_b084*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:084_087 @atom:*_b084*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:084_088 @atom:*_b084*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:085_085 @atom:*_b085*_a*_d*_i* @atom:*_b085*_a*_d*_i* @bond:086_086 @atom:*_b086*_a*_d*_i* @atom:*_b086*_a*_d*_i* @bond:086_087 @atom:*_b086*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:086_088 @atom:*_b086*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:087_087 @atom:*_b087*_a*_d*_i* @atom:*_b087*_a*_d*_i* @bond:087_088 @atom:*_b087*_a*_d*_i* @atom:*_b088*_a*_d*_i* @bond:089_090 @atom:*_b089*_a*_d*_i* @atom:*_b090*_a*_d*_i* @bond:089_091 @atom:*_b089*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:090_091 @atom:*_b090*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:091_091 @atom:*_b091*_a*_d*_i* @atom:*_b091*_a*_d*_i* @bond:102_103 @atom:*_b102*_a*_d*_i* @atom:*_b103*_a*_d*_i* @bond:108_108 @atom:*_b108*_a*_d*_i* @atom:*_b108*_a*_d*_i* @bond:109_109 @atom:*_b109*_a*_d*_i* @atom:*_b109*_a*_d*_i* } #(end of bonds by type) # ------- Angle Interactions: ------- # http://lammps.sandia.gov/doc/angle_harmonic.html # Syntax: # angle_coeff AngleTypeName parameters... write_once("In Settings") { angle_coeff @angle:025_001_025 33.0 109.47 angle_coeff @angle:001_002_002 50.0 109.5 angle_coeff @angle:002_002_002 63.0 112.4 angle_coeff @angle:002_002_003 63.0 112.4 angle_coeff @angle:002_002_005 80.0 109.5 angle_coeff @angle:002_002_006 63.0 112.4 angle_coeff @angle:006_002_006 63.0 112.4 angle_coeff @angle:005_002_006 80.0 109.5 angle_coeff @angle:002_002_010 63.0 112.4 angle_coeff @angle:003_002_010 63.0 112.4 angle_coeff @angle:006_002_010 63.0 112.4 angle_coeff @angle:010_002_010 63.0 112.4 angle_coeff @angle:005_002_010 80.0 109.5 angle_coeff @angle:010_002_012 63.0 114.0 angle_coeff @angle:006_002_013 63.0 112.4 angle_coeff @angle:010_002_015 50.0 108.6 angle_coeff @angle:002_002_016 50.0 114.7 angle_coeff @angle:010_002_016 50.0 114.7 angle_coeff @angle:002_002_020 80.0 109.5 angle_coeff @angle:006_002_020 80.0 109.5 angle_coeff @angle:010_002_020 80.0 109.5 angle_coeff @angle:003_002_024 80.0 110.3 angle_coeff @angle:002_002_024 80.0 111.2 angle_coeff @angle:002_002_044 56.2 109.47 angle_coeff @angle:006_002_044 56.2 109.47 angle_coeff @angle:010_002_044 56.2 109.47 angle_coeff @angle:013_002_044 56.2 109.47 angle_coeff @angle:003_002_044 80.0 111.2 angle_coeff @angle:002_002_048 63.0 112.4 angle_coeff @angle:010_002_048 63.0 114.0 angle_coeff @angle:002_002_051 63.0 112.4 angle_coeff @angle:006_002_051 63.0 112.4 angle_coeff @angle:002_002_053 80.0 111.2 angle_coeff @angle:002_002_055 80.0 111.2 angle_coeff @angle:010_002_080 63.0 115.6 angle_coeff @angle:002_003_004 80.0 120.4 angle_coeff @angle:001_003_004 80.0 121.0 angle_coeff @angle:003_003_004 80.0 121.4 angle_coeff @angle:004_003_004 80.0 126.0 angle_coeff @angle:004_003_005 80.0 121.0 angle_coeff @angle:004_003_006 80.0 120.4 angle_coeff @angle:005_003_010 70.0 115.0 angle_coeff @angle:004_003_010 80.0 120.4 angle_coeff @angle:005_003_012 70.0 120.0 angle_coeff @angle:012_003_012 85.0 120.0 angle_coeff @angle:005_003_013 70.0 108.0 angle_coeff @angle:013_003_013 70.0 116.0 angle_coeff @angle:001_003_013 80.0 111.0 angle_coeff @angle:003_003_013 80.0 117.2 angle_coeff @angle:004_003_013 80.0 120.4 angle_coeff @angle:010_003_020 81.0 111.4 angle_coeff @angle:013_003_020 81.0 111.4 angle_coeff @angle:004_003_020 83.0 123.4 angle_coeff @angle:013_003_021 75.0 109.0 angle_coeff @angle:004_003_021 75.0 119.0 angle_coeff @angle:024_003_024 70.0 114.2 angle_coeff @angle:002_003_024 70.0 116.6 angle_coeff @angle:003_003_024 70.0 116.6 angle_coeff @angle:006_003_024 70.0 116.6 angle_coeff @angle:010_003_024 70.0 116.6 angle_coeff @angle:013_003_024 70.0 116.6 angle_coeff @angle:004_003_024 80.0 122.9 angle_coeff @angle:020_003_024 81.0 111.4 angle_coeff @angle:013_003_044 70.0 116.0 angle_coeff @angle:004_003_044 80.0 120.4 angle_coeff @angle:013_003_046 35.0 115.0 angle_coeff @angle:046_003_046 35.0 115.0 angle_coeff @angle:004_003_046 35.0 123.0 angle_coeff @angle:024_003_046 40.0 114.0 angle_coeff @angle:005_003_046 40.0 115.0 angle_coeff @angle:020_003_046 40.0 115.0 angle_coeff @angle:024_003_047 70.0 115.5 angle_coeff @angle:004_003_047 80.0 125.3 angle_coeff @angle:046_003_048 35.0 115.0 angle_coeff @angle:024_003_048 70.0 115.5 angle_coeff @angle:013_003_048 70.0 116.0 angle_coeff @angle:005_003_048 70.0 120.0 angle_coeff @angle:004_003_048 80.0 120.4 angle_coeff @angle:020_003_048 81.0 111.4 angle_coeff @angle:048_003_048 85.0 120.0 angle_coeff @angle:013_003_050 70.0 116.0 angle_coeff @angle:046_003_050 80.0 116.0 angle_coeff @angle:004_003_050 80.0 124.0 angle_coeff @angle:010_003_052 65.0 117.0 angle_coeff @angle:002_003_052 70.0 117.0 angle_coeff @angle:006_003_052 70.0 117.0 angle_coeff @angle:013_003_052 70.0 117.0 angle_coeff @angle:048_003_052 70.0 117.0 angle_coeff @angle:004_003_052 80.0 126.0 angle_coeff @angle:052_003_052 80.0 126.0 angle_coeff @angle:046_003_056 35.0 122.0 angle_coeff @angle:004_003_056 80.0 122.5 angle_coeff @angle:047_003_057 70.0 114.1 angle_coeff @angle:056_003_057 70.0 118.6 angle_coeff @angle:057_003_057 70.0 118.6 angle_coeff @angle:004_003_057 80.0 120.6 angle_coeff @angle:024_003_060 70.0 111.3 angle_coeff @angle:057_003_060 70.0 111.3 angle_coeff @angle:004_003_060 80.0 128.8 angle_coeff @angle:013_003_065 75.0 109.0 angle_coeff @angle:004_003_065 75.0 119.0 angle_coeff @angle:044_003_084 70.0 116.0 angle_coeff @angle:004_003_084 80.0 120.4 angle_coeff @angle:004_003_087 80.0 128.2 angle_coeff @angle:057_003_105 70.0 115.4 angle_coeff @angle:056_003_105 70.0 118.6 angle_coeff @angle:004_003_105 80.0 120.9 angle_coeff @angle:013_003_107 70.0 116.6 angle_coeff @angle:004_003_107 80.0 122.9 angle_coeff @angle:025_004_025 10.0 117.0 angle_coeff @angle:003_004_025 35.0 113.0 angle_coeff @angle:003_005_007 35.0 113.0 angle_coeff @angle:002_005_007 55.0 108.5 angle_coeff @angle:006_005_007 55.0 108.5 angle_coeff @angle:007_005_010 55.0 108.5 angle_coeff @angle:007_005_013 55.0 108.5 angle_coeff @angle:007_005_024 49.0 105.4 angle_coeff @angle:025_005_025 5.0 109.47 angle_coeff @angle:007_005_025 10.0 109.47 angle_coeff @angle:013_005_025 10.0 109.47 angle_coeff @angle:007_005_047 35.0 109.0 angle_coeff @angle:025_005_048 10.0 109.47 angle_coeff @angle:007_005_048 35.0 113.0 angle_coeff @angle:007_005_051 55.0 108.5 angle_coeff @angle:007_005_064 55.0 108.5 angle_coeff @angle:013_005_064 100.0 120.5 angle_coeff @angle:007_005_079 74.0 110.0 angle_coeff @angle:007_005_106 100.0 126.0 angle_coeff @angle:005_007_025 10.0 109.47 angle_coeff @angle:025_007_025 33.0 109.47 angle_coeff @angle:002_010_002 63.0 112.4 angle_coeff @angle:002_010_003 63.0 111.1 angle_coeff @angle:002_010_005 80.0 109.5 angle_coeff @angle:003_010_006 63.0 111.1 angle_coeff @angle:006_010_006 63.0 111.5 angle_coeff @angle:002_010_006 63.0 112.4 angle_coeff @angle:005_010_006 80.0 109.5 angle_coeff @angle:003_010_010 63.0 111.1 angle_coeff @angle:002_010_010 63.0 111.5 angle_coeff @angle:006_010_010 63.0 111.5 angle_coeff @angle:010_010_010 63.0 111.5 angle_coeff @angle:005_010_010 80.0 109.5 angle_coeff 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@angle:086_084_087 70.0 132.1 angle_coeff @angle:003_084_087 85.0 120.0 angle_coeff @angle:049_085_057 35.0 120.0 angle_coeff @angle:013_085_057 70.0 121.6 angle_coeff @angle:049_085_085 35.0 130.7 angle_coeff @angle:057_085_085 70.0 106.3 angle_coeff @angle:013_085_085 70.0 130.7 angle_coeff @angle:048_086_048 63.0 120.0 angle_coeff @angle:048_086_056 70.0 124.0 angle_coeff @angle:048_086_082 63.0 120.0 angle_coeff @angle:048_086_083 63.0 120.0 angle_coeff @angle:048_086_084 63.0 120.0 angle_coeff @angle:048_086_086 63.0 120.0 angle_coeff @angle:056_086_086 70.0 124.0 angle_coeff @angle:048_086_087 63.0 120.0 angle_coeff @angle:048_086_088 63.0 120.0 angle_coeff @angle:049_087_060 35.0 120.0 angle_coeff @angle:046_087_060 35.0 126.8 angle_coeff @angle:013_087_060 70.0 128.6 angle_coeff @angle:049_087_084 35.0 125.7 angle_coeff @angle:046_087_084 35.0 126.8 angle_coeff @angle:084_087_084 70.0 103.8 angle_coeff @angle:082_087_084 70.0 110.4 angle_coeff @angle:002_087_084 70.0 125.0 angle_coeff @angle:013_087_084 70.0 125.0 angle_coeff @angle:003_087_084 70.0 130.0 angle_coeff @angle:060_087_084 85.0 106.4 angle_coeff @angle:084_087_086 70.0 125.7 angle_coeff @angle:049_087_087 35.0 127.5 angle_coeff @angle:060_087_087 70.0 107.3 angle_coeff @angle:084_087_087 70.0 107.3 angle_coeff @angle:086_087_087 70.0 127.5 angle_coeff @angle:084_087_088 70.0 103.8 angle_coeff @angle:048_088_049 35.0 128.6 angle_coeff @angle:049_088_061 35.0 118.9 angle_coeff @angle:013_088_061 70.0 118.9 angle_coeff @angle:019_088_061 70.0 118.9 angle_coeff @angle:061_088_087 70.0 111.9 angle_coeff @angle:004_089_090 80.0 134.0 angle_coeff @angle:090_089_091 70.0 91.0 angle_coeff @angle:004_089_091 80.0 134.0 angle_coeff @angle:013_090_089 55.0 127.0 angle_coeff @angle:089_090_091 50.0 94.0 angle_coeff @angle:013_090_091 50.0 126.0 angle_coeff @angle:024_091_046 35.0 108.0 angle_coeff @angle:013_091_046 35.0 114.3 angle_coeff @angle:044_091_046 35.0 114.3 angle_coeff @angle:046_091_046 35.0 114.3 angle_coeff @angle:016_091_046 37.5 108.0 angle_coeff @angle:046_091_047 35.0 109.5 angle_coeff @angle:046_091_089 37.5 110.0 angle_coeff @angle:024_091_089 70.0 117.0 angle_coeff @angle:046_091_090 35.0 111.0 angle_coeff @angle:016_091_090 55.0 109.0 angle_coeff @angle:091_091_091 30.0 79.2 angle_coeff @angle:013_091_091 37.5 117.2 angle_coeff @angle:044_091_091 37.5 117.2 angle_coeff @angle:046_091_091 37.5 117.2 angle_coeff @angle:024_091_091 37.5 126.0 angle_coeff @angle:016_091_091 55.0 128.0 angle_coeff @angle:089_091_091 63.0 85.0 angle_coeff @angle:047_091_091 63.0 114.0 angle_coeff @angle:090_091_091 80.0 89.0 angle_coeff @angle:013_095_013 172.8 120.0 angle_coeff @angle:013_095_046 144.0 120.0 angle_coeff @angle:013_101_045 35.0 109.5 angle_coeff @angle:045_101_045 43.6 106.4 angle_coeff @angle:045_101_048 50.0 112.5 angle_coeff @angle:013_101_048 50.0 120.5 angle_coeff @angle:013_102_103 80.0 117.5 angle_coeff @angle:048_102_103 80.0 117.5 angle_coeff @angle:103_102_103 80.0 125.0 angle_coeff @angle:025_103_025 10.0 109.5 angle_coeff @angle:025_103_102 10.0 109.5 angle_coeff @angle:013_104_013 45.0 109.5 angle_coeff @angle:003_105_010 70.0 117.6 angle_coeff @angle:003_105_013 70.0 117.6 angle_coeff @angle:003_105_045 35.0 119.2 angle_coeff @angle:045_105_047 35.0 119.2 angle_coeff @angle:013_105_047 70.0 121.2 angle_coeff @angle:003_105_047 70.0 121.6 angle_coeff @angle:003_105_051 70.0 117.6 angle_coeff @angle:047_105_051 70.0 121.2 angle_coeff @angle:045_105_060 30.0 125.8 angle_coeff @angle:006_105_060 70.0 125.8 angle_coeff @angle:010_105_060 70.0 125.8 angle_coeff @angle:013_105_060 70.0 125.8 angle_coeff @angle:051_105_060 70.0 125.8 angle_coeff @angle:045_105_062 30.0 128.8 angle_coeff @angle:060_105_062 70.0 105.4 angle_coeff @angle:006_105_062 70.0 128.8 angle_coeff @angle:010_105_062 70.0 128.8 angle_coeff @angle:013_105_062 70.0 128.8 angle_coeff @angle:051_105_062 70.0 128.8 angle_coeff @angle:004_106_024 20.0 109.5 angle_coeff @angle:024_106_024 20.0 109.5 angle_coeff @angle:013_107_013 50.0 118.0 angle_coeff @angle:003_107_013 50.0 121.9 angle_coeff @angle:001_108_013 35.0 110.5 angle_coeff @angle:013_108_013 60.0 110.0 angle_coeff @angle:013_108_020 60.0 100.0 angle_coeff @angle:020_108_020 60.0 110.0 angle_coeff @angle:013_108_021 35.0 110.5 angle_coeff @angle:045_108_045 35.0 109.5 angle_coeff @angle:013_108_045 35.0 110.5 angle_coeff @angle:046_108_046 35.0 109.5 angle_coeff @angle:013_108_046 35.0 110.5 angle_coeff @angle:013_108_065 35.0 110.5 angle_coeff @angle:013_108_066 35.0 110.5 angle_coeff @angle:013_108_108 50.0 112.0 angle_coeff @angle:046_109_048 35.0 123.3 angle_coeff @angle:046_109_050 35.0 120.0 angle_coeff @angle:013_109_050 70.0 124.0 angle_coeff @angle:046_109_109 35.0 120.0 angle_coeff @angle:013_109_109 70.0 124.0 angle_coeff @angle:050_109_109 70.0 124.0 angle_coeff @angle:048_109_109 85.0 117.0 angle_coeff @angle:004_110_047 160.0 180.0 angle_coeff @angle:047_110_047 160.0 180.0 } #(end of angle_coeffs) # Rules for creating angle interactions according to atom type: # AngleTypeName AtomType1 AtomType2 AtomType3 # (* = wildcard) write_once("Data Angles By Type") { @angle:025_001_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a001*_d*_i* @atom:*_b*_a025*_d*_i* @angle:001_002_002 @atom:*_b*_a001*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @angle:002_002_002 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @angle:002_002_003 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a003*_d*_i* @angle:002_002_005 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a005*_d*_i* @angle:002_002_006 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a006*_d*_i* @angle:006_002_006 @atom:*_b*_a006*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a006*_d*_i* @angle:005_002_006 @atom:*_b*_a005*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a006*_d*_i* @angle:002_002_010 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @angle:003_002_010 @atom:*_b*_a003*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @angle:006_002_010 @atom:*_b*_a006*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @angle:010_002_010 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @angle:005_002_010 @atom:*_b*_a005*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @angle:010_002_012 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a012*_d*_i* @angle:006_002_013 @atom:*_b*_a006*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a013*_d*_i* @angle:010_002_015 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a015*_d*_i* @angle:002_002_016 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a016*_d*_i* @angle:010_002_016 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a016*_d*_i* @angle:002_002_020 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @angle:006_002_020 @atom:*_b*_a006*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @angle:010_002_020 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @angle:003_002_024 @atom:*_b*_a003*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a024*_d*_i* @angle:002_002_024 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a024*_d*_i* @angle:002_002_044 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @angle:006_002_044 @atom:*_b*_a006*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @angle:010_002_044 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @angle:013_002_044 @atom:*_b*_a013*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @angle:003_002_044 @atom:*_b*_a003*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @angle:002_002_048 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a048*_d*_i* @angle:010_002_048 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_002_051 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a051*_d*_i* @angle:006_002_051 @atom:*_b*_a006*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a051*_d*_i* @angle:002_002_053 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a053*_d*_i* @angle:002_002_055 @atom:*_b*_a002*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a055*_d*_i* @angle:010_002_080 @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @atom:*_b*_a080*_d*_i* @angle:002_003_004 @atom:*_b*_a002*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a004*_d*_i* @angle:001_003_004 @atom:*_b*_a001*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a004*_d*_i* @angle:003_003_004 @atom:*_b*_a003*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a004*_d*_i* @angle:004_003_004 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a004*_d*_i* @angle:004_003_005 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a005*_d*_i* @angle:004_003_006 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a006*_d*_i* @angle:005_003_010 @atom:*_b*_a005*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a010*_d*_i* @angle:004_003_010 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a010*_d*_i* @angle:005_003_012 @atom:*_b*_a005*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a012*_d*_i* @angle:012_003_012 @atom:*_b*_a012*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a012*_d*_i* @angle:005_003_013 @atom:*_b*_a005*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_003_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @angle:001_003_013 @atom:*_b*_a001*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @angle:003_003_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @angle:004_003_013 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @angle:010_003_020 @atom:*_b*_a010*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a020*_d*_i* @angle:013_003_020 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a020*_d*_i* @angle:004_003_020 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a020*_d*_i* @angle:013_003_021 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a021*_d*_i* @angle:004_003_021 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a021*_d*_i* @angle:024_003_024 @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:002_003_024 @atom:*_b*_a002*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:003_003_024 @atom:*_b*_a003*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:006_003_024 @atom:*_b*_a006*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:010_003_024 @atom:*_b*_a010*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:013_003_024 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:004_003_024 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:020_003_024 @atom:*_b*_a020*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @angle:013_003_044 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a044*_d*_i* @angle:004_003_044 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a044*_d*_i* @angle:013_003_046 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a046*_d*_i* @angle:046_003_046 @atom:*_b*_a046*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a046*_d*_i* @angle:004_003_046 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a046*_d*_i* @angle:024_003_046 @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a046*_d*_i* @angle:005_003_046 @atom:*_b*_a005*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a046*_d*_i* @angle:020_003_046 @atom:*_b*_a020*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a046*_d*_i* @angle:024_003_047 @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @angle:004_003_047 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @angle:046_003_048 @atom:*_b*_a046*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:024_003_048 @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_003_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:005_003_048 @atom:*_b*_a005*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:004_003_048 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:020_003_048 @atom:*_b*_a020*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_003_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_003_050 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a050*_d*_i* @angle:046_003_050 @atom:*_b*_a046*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a050*_d*_i* @angle:004_003_050 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a050*_d*_i* @angle:010_003_052 @atom:*_b*_a010*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:002_003_052 @atom:*_b*_a002*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:006_003_052 @atom:*_b*_a006*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:013_003_052 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:048_003_052 @atom:*_b*_a048*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:004_003_052 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:052_003_052 @atom:*_b*_a052*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a052*_d*_i* @angle:046_003_056 @atom:*_b*_a046*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a056*_d*_i* @angle:004_003_056 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a056*_d*_i* @angle:047_003_057 @atom:*_b*_a047*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @angle:056_003_057 @atom:*_b*_a056*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @angle:057_003_057 @atom:*_b*_a057*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @angle:004_003_057 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @angle:024_003_060 @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a060*_d*_i* @angle:057_003_060 @atom:*_b*_a057*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a060*_d*_i* @angle:004_003_060 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a060*_d*_i* @angle:013_003_065 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a065*_d*_i* @angle:004_003_065 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a065*_d*_i* @angle:044_003_084 @atom:*_b*_a044*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a084*_d*_i* @angle:004_003_084 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a084*_d*_i* @angle:004_003_087 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a087*_d*_i* @angle:057_003_105 @atom:*_b*_a057*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a105*_d*_i* @angle:056_003_105 @atom:*_b*_a056*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a105*_d*_i* @angle:004_003_105 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a105*_d*_i* @angle:013_003_107 @atom:*_b*_a013*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a107*_d*_i* @angle:004_003_107 @atom:*_b*_a004*_d*_i* @atom:*_b*_a003*_d*_i* @atom:*_b*_a107*_d*_i* @angle:025_004_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a004*_d*_i* @atom:*_b*_a025*_d*_i* @angle:003_004_025 @atom:*_b*_a003*_d*_i* @atom:*_b*_a004*_d*_i* @atom:*_b*_a025*_d*_i* @angle:003_005_007 @atom:*_b*_a003*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a007*_d*_i* @angle:002_005_007 @atom:*_b*_a002*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a007*_d*_i* @angle:006_005_007 @atom:*_b*_a006*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a007*_d*_i* @angle:007_005_010 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a010*_d*_i* @angle:007_005_013 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a013*_d*_i* @angle:007_005_024 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a024*_d*_i* @angle:025_005_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a025*_d*_i* @angle:007_005_025 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a025*_d*_i* @angle:013_005_025 @atom:*_b*_a013*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a025*_d*_i* @angle:007_005_047 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a047*_d*_i* @angle:025_005_048 @atom:*_b*_a025*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a048*_d*_i* @angle:007_005_048 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a048*_d*_i* @angle:007_005_051 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a051*_d*_i* @angle:007_005_064 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a064*_d*_i* @angle:013_005_064 @atom:*_b*_a013*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a064*_d*_i* @angle:007_005_079 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a079*_d*_i* @angle:007_005_106 @atom:*_b*_a007*_d*_i* @atom:*_b*_a005*_d*_i* @atom:*_b*_a106*_d*_i* @angle:005_007_025 @atom:*_b*_a005*_d*_i* @atom:*_b*_a007*_d*_i* @atom:*_b*_a025*_d*_i* @angle:025_007_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a007*_d*_i* @atom:*_b*_a025*_d*_i* @angle:002_010_002 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a002*_d*_i* @angle:002_010_003 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a003*_d*_i* @angle:002_010_005 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a005*_d*_i* @angle:003_010_006 @atom:*_b*_a003*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a006*_d*_i* @angle:006_010_006 @atom:*_b*_a006*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a006*_d*_i* @angle:002_010_006 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a006*_d*_i* @angle:005_010_006 @atom:*_b*_a005*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a006*_d*_i* @angle:003_010_010 @atom:*_b*_a003*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @angle:002_010_010 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @angle:006_010_010 @atom:*_b*_a006*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @angle:010_010_010 @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @angle:005_010_010 @atom:*_b*_a005*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @angle:002_010_020 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a020*_d*_i* @angle:006_010_020 @atom:*_b*_a006*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a020*_d*_i* @angle:010_010_020 @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a020*_d*_i* @angle:003_010_024 @atom:*_b*_a003*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a024*_d*_i* @angle:006_010_024 @atom:*_b*_a006*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a024*_d*_i* @angle:002_010_024 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a024*_d*_i* @angle:010_010_024 @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a024*_d*_i* @angle:002_010_044 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @angle:006_010_044 @atom:*_b*_a006*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @angle:010_010_044 @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @angle:013_010_044 @atom:*_b*_a013*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @angle:003_010_044 @atom:*_b*_a003*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @angle:002_010_048 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a048*_d*_i* @angle:020_010_048 @atom:*_b*_a020*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_010_105 @atom:*_b*_a002*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a105*_d*_i* @angle:010_010_105 @atom:*_b*_a010*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a105*_d*_i* @angle:020_010_105 @atom:*_b*_a020*_d*_i* @atom:*_b*_a010*_d*_i* @atom:*_b*_a105*_d*_i* @angle:002_011_002 @atom:*_b*_a002*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a002*_d*_i* @angle:002_011_006 @atom:*_b*_a002*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a006*_d*_i* @angle:006_011_006 @atom:*_b*_a006*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a006*_d*_i* @angle:002_011_009 @atom:*_b*_a002*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a009*_d*_i* @angle:006_011_009 @atom:*_b*_a006*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a009*_d*_i* @angle:009_011_010 @atom:*_b*_a009*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a010*_d*_i* @angle:002_011_010 @atom:*_b*_a002*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a010*_d*_i* @angle:006_011_010 @atom:*_b*_a006*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a010*_d*_i* @angle:010_011_010 @atom:*_b*_a010*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a010*_d*_i* @angle:002_011_011 @atom:*_b*_a002*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @angle:006_011_011 @atom:*_b*_a006*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @angle:009_011_011 @atom:*_b*_a009*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @angle:010_011_011 @atom:*_b*_a010*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @angle:011_011_011 @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @angle:009_011_013 @atom:*_b*_a009*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a013*_d*_i* @angle:011_011_013 @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a013*_d*_i* @angle:002_011_013 @atom:*_b*_a002*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a013*_d*_i* @angle:006_011_013 @atom:*_b*_a006*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a013*_d*_i* @angle:010_011_013 @atom:*_b*_a010*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_011_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a013*_d*_i* @angle:009_011_014 @atom:*_b*_a009*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a014*_d*_i* @angle:011_011_014 @atom:*_b*_a011*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a014*_d*_i* @angle:009_011_079 @atom:*_b*_a009*_d*_i* @atom:*_b*_a011*_d*_i* @atom:*_b*_a079*_d*_i* @angle:002_012_012 @atom:*_b*_a002*_d*_i* @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @angle:003_012_012 @atom:*_b*_a003*_d*_i* @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @angle:012_012_012 @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @angle:012_012_048 @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @atom:*_b*_a048*_d*_i* @angle:012_012_060 @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @atom:*_b*_a060*_d*_i* @angle:012_012_081 @atom:*_b*_a012*_d*_i* @atom:*_b*_a012*_d*_i* @atom:*_b*_a081*_d*_i* @angle:001_013_001 @atom:*_b*_a001*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a001*_d*_i* 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@atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a015*_d*_i* @angle:013_013_016 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @angle:013_013_019 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a019*_d*_i* @angle:003_013_020 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a020*_d*_i* @angle:013_013_020 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a020*_d*_i* @angle:003_013_021 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a021*_d*_i* @angle:013_013_021 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a021*_d*_i* @angle:021_013_021 @atom:*_b*_a021*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a021*_d*_i* @angle:013_013_022 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a022*_d*_i* @angle:020_013_024 @atom:*_b*_a020*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @angle:003_013_024 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @angle:002_013_024 @atom:*_b*_a002*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @angle:013_013_024 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @angle:016_013_044 @atom:*_b*_a016*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @angle:002_013_044 @atom:*_b*_a002*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @angle:006_013_044 @atom:*_b*_a006*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @angle:010_013_044 @atom:*_b*_a010*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @angle:013_013_044 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @angle:003_013_044 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @angle:046_013_046 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a046*_d*_i* @angle:018_013_046 @atom:*_b*_a018*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a046*_d*_i* @angle:019_013_046 @atom:*_b*_a019*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a046*_d*_i* @angle:002_013_046 @atom:*_b*_a002*_d*_i* @atom:*_b*_a013*_d*_i* 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@angle:046_013_047 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @angle:001_013_047 @atom:*_b*_a001*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @angle:013_013_047 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @angle:047_013_047 @atom:*_b*_a047*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @angle:046_013_048 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:047_013_048 @atom:*_b*_a047*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_013_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:001_013_048 @atom:*_b*_a001*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:005_013_048 @atom:*_b*_a005*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:020_013_048 @atom:*_b*_a020*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:016_013_048 @atom:*_b*_a016*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_013_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_013_048 @atom:*_b*_a002*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_013_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:044_013_048 @atom:*_b*_a044*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @angle:046_013_050 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a050*_d*_i* @angle:046_013_051 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a051*_d*_i* @angle:005_013_051 @atom:*_b*_a005*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a051*_d*_i* @angle:013_013_051 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a051*_d*_i* @angle:046_013_053 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @angle:003_013_053 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @angle:013_013_053 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @angle:046_013_055 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a055*_d*_i* @angle:013_013_055 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a055*_d*_i* @angle:046_013_056 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @angle:003_013_056 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @angle:013_013_056 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @angle:046_013_057 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a057*_d*_i* @angle:048_013_057 @atom:*_b*_a048*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a057*_d*_i* @angle:046_013_060 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a060*_d*_i* @angle:013_013_060 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a060*_d*_i* @angle:046_013_064 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a064*_d*_i* @angle:013_013_064 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a064*_d*_i* @angle:048_013_064 @atom:*_b*_a048*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a064*_d*_i* @angle:046_013_065 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a065*_d*_i* @angle:003_013_065 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a065*_d*_i* @angle:013_013_065 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a065*_d*_i* @angle:048_013_065 @atom:*_b*_a048*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a065*_d*_i* @angle:065_013_065 @atom:*_b*_a065*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a065*_d*_i* @angle:046_013_066 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a066*_d*_i* @angle:013_013_066 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a066*_d*_i* @angle:046_013_079 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a079*_d*_i* @angle:013_013_079 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a079*_d*_i* @angle:001_013_079 @atom:*_b*_a001*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a079*_d*_i* @angle:046_013_080 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a080*_d*_i* @angle:013_013_080 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a080*_d*_i* @angle:046_013_083 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a083*_d*_i* @angle:013_013_083 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a083*_d*_i* @angle:046_013_084 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a084*_d*_i* @angle:016_013_084 @atom:*_b*_a016*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a084*_d*_i* @angle:013_013_084 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a084*_d*_i* @angle:046_013_085 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a085*_d*_i* @angle:013_013_085 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a085*_d*_i* @angle:046_013_087 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a087*_d*_i* @angle:013_013_087 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a087*_d*_i* @angle:046_013_090 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a090*_d*_i* @angle:013_013_090 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a090*_d*_i* @angle:003_013_090 @atom:*_b*_a003*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a090*_d*_i* @angle:046_013_091 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a091*_d*_i* @angle:046_013_095 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a095*_d*_i* @angle:013_013_095 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a095*_d*_i* @angle:046_013_101 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a101*_d*_i* @angle:013_013_101 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a101*_d*_i* @angle:046_013_102 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a102*_d*_i* @angle:013_013_102 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a102*_d*_i* @angle:046_013_104 @atom:*_b*_a046*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a104*_d*_i* @angle:013_013_104 @atom:*_b*_a013*_d*_i* @atom:*_b*_a013*_d*_i* @atom:*_b*_a104*_d*_i* @angle:046_013_105 @atom:*_b*_a046*_d*_i* 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@atom:*_b*_a015*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_016_006 @atom:*_b*_a002*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a006*_d*_i* @angle:013_016_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a013*_d*_i* @angle:002_016_016 @atom:*_b*_a002*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a016*_d*_i* @angle:006_016_016 @atom:*_b*_a006*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a016*_d*_i* @angle:013_016_016 @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a016*_d*_i* @angle:013_016_019 @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a019*_d*_i* @angle:025_016_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a025*_d*_i* @angle:013_016_025 @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a025*_d*_i* @angle:033_016_033 @atom:*_b*_a033*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a033*_d*_i* @angle:002_016_033 @atom:*_b*_a002*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a033*_d*_i* @angle:006_016_033 @atom:*_b*_a006*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a033*_d*_i* @angle:013_016_033 @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a033*_d*_i* @angle:016_016_033 @atom:*_b*_a016*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a033*_d*_i* @angle:013_016_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a048*_d*_i* @angle:047_016_048 @atom:*_b*_a047*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a048*_d*_i* @angle:024_016_060 @atom:*_b*_a024*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a060*_d*_i* @angle:025_016_061 @atom:*_b*_a025*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a061*_d*_i* @angle:025_016_082 @atom:*_b*_a025*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a082*_d*_i* @angle:060_016_082 @atom:*_b*_a060*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a082*_d*_i* @angle:025_016_084 @atom:*_b*_a025*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a084*_d*_i* @angle:082_016_084 @atom:*_b*_a082*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a084*_d*_i* @angle:060_016_084 @atom:*_b*_a060*_d*_i* @atom:*_b*_a016*_d*_i* @atom:*_b*_a084*_d*_i* 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@atom:*_b*_a019*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a046*_d*_i* @angle:018_019_047 @atom:*_b*_a018*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a047*_d*_i* @angle:019_019_047 @atom:*_b*_a019*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a047*_d*_i* @angle:018_019_048 @atom:*_b*_a018*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a048*_d*_i* @angle:019_019_048 @atom:*_b*_a019*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a048*_d*_i* @angle:019_019_050 @atom:*_b*_a019*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a050*_d*_i* @angle:018_019_055 @atom:*_b*_a018*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a055*_d*_i* @angle:018_019_088 @atom:*_b*_a018*_d*_i* @atom:*_b*_a019*_d*_i* @atom:*_b*_a088*_d*_i* @angle:002_020_002 @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a002*_d*_i* @angle:002_020_003 @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a003*_d*_i* @angle:003_020_006 @atom:*_b*_a003*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a006*_d*_i* @angle:002_020_006 @atom:*_b*_a002*_d*_i* 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@atom:*_b*_a048*_d*_i* @angle:047_020_048 @atom:*_b*_a047*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_020_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_020_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_020_048 @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_020_051 @atom:*_b*_a013*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @angle:002_020_051 @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @angle:006_020_051 @atom:*_b*_a006*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @angle:010_020_051 @atom:*_b*_a010*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @angle:024_020_060 @atom:*_b*_a024*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a060*_d*_i* @angle:025_020_061 @atom:*_b*_a025*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a061*_d*_i* @angle:002_020_064 @atom:*_b*_a002*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a064*_d*_i* 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@atom:*_b*_a084*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a084*_d*_i* @angle:061_020_084 @atom:*_b*_a061*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a084*_d*_i* @angle:108_020_108 @atom:*_b*_a108*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a108*_d*_i* @angle:013_020_108 @atom:*_b*_a013*_d*_i* @atom:*_b*_a020*_d*_i* @atom:*_b*_a108*_d*_i* @angle:025_021_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a021*_d*_i* @atom:*_b*_a025*_d*_i* @angle:013_022_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a022*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_022_023 @atom:*_b*_a013*_d*_i* @atom:*_b*_a022*_d*_i* @atom:*_b*_a023*_d*_i* @angle:023_022_025 @atom:*_b*_a023*_d*_i* @atom:*_b*_a022*_d*_i* @atom:*_b*_a025*_d*_i* @angle:002_024_003 @atom:*_b*_a002*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @angle:003_024_003 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a003*_d*_i* @angle:003_024_005 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a005*_d*_i* @angle:002_024_006 @atom:*_b*_a002*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a006*_d*_i* @angle:003_024_006 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a006*_d*_i* @angle:002_024_010 @atom:*_b*_a002*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a010*_d*_i* @angle:003_024_010 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a010*_d*_i* @angle:013_024_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a013*_d*_i* @angle:003_024_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a013*_d*_i* @angle:003_024_016 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a016*_d*_i* @angle:003_024_020 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a020*_d*_i* @angle:003_024_025 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a025*_d*_i* @angle:025_024_045 @atom:*_b*_a025*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:005_024_045 @atom:*_b*_a005*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:003_024_045 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:045_024_045 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:002_024_045 @atom:*_b*_a002*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:006_024_045 @atom:*_b*_a006*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:010_024_045 @atom:*_b*_a010*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:013_024_045 @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a045*_d*_i* @angle:045_024_048 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_024_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_024_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_024_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a048*_d*_i* @angle:054_024_054 @atom:*_b*_a054*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a054*_d*_i* @angle:045_024_059 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a059*_d*_i* @angle:003_024_059 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a059*_d*_i* @angle:013_024_079 @atom:*_b*_a013*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a079*_d*_i* @angle:045_024_079 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a079*_d*_i* @angle:045_024_084 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a084*_d*_i* @angle:048_024_084 @atom:*_b*_a048*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a084*_d*_i* @angle:016_024_086 @atom:*_b*_a016*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a086*_d*_i* @angle:045_024_087 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a087*_d*_i* @angle:048_024_087 @atom:*_b*_a048*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a087*_d*_i* @angle:045_024_088 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a088*_d*_i* @angle:048_024_088 @atom:*_b*_a048*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a088*_d*_i* @angle:045_024_091 @atom:*_b*_a045*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a091*_d*_i* @angle:003_024_091 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a091*_d*_i* @angle:048_024_103 @atom:*_b*_a048*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a103*_d*_i* @angle:003_024_106 @atom:*_b*_a003*_d*_i* @atom:*_b*_a024*_d*_i* @atom:*_b*_a106*_d*_i* @angle:025_025_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a025*_d*_i* @atom:*_b*_a025*_d*_i* @angle:032_031_032 @atom:*_b*_a032*_d*_i* @atom:*_b*_a031*_d*_i* @atom:*_b*_a032*_d*_i* @angle:032_031_033 @atom:*_b*_a032*_d*_i* @atom:*_b*_a031*_d*_i* @atom:*_b*_a033*_d*_i* @angle:035_034_035 @atom:*_b*_a035*_d*_i* @atom:*_b*_a034*_d*_i* @atom:*_b*_a035*_d*_i* @angle:037_036_037 @atom:*_b*_a037*_d*_i* @atom:*_b*_a036*_d*_i* @atom:*_b*_a037*_d*_i* @angle:037_036_038 @atom:*_b*_a037*_d*_i* @atom:*_b*_a036*_d*_i* @atom:*_b*_a038*_d*_i* @angle:040_039_040 @atom:*_b*_a040*_d*_i* @atom:*_b*_a039*_d*_i* @atom:*_b*_a040*_d*_i* @angle:041_039_041 @atom:*_b*_a041*_d*_i* @atom:*_b*_a039*_d*_i* @atom:*_b*_a041*_d*_i* @angle:040_039_041 @atom:*_b*_a040*_d*_i* @atom:*_b*_a039*_d*_i* @atom:*_b*_a041*_d*_i* @angle:043_042_043 @atom:*_b*_a043*_d*_i* @atom:*_b*_a042*_d*_i* @atom:*_b*_a043*_d*_i* @angle:002_044_002 @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a002*_d*_i* @angle:002_044_006 @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a006*_d*_i* @angle:006_044_006 @atom:*_b*_a006*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a006*_d*_i* @angle:002_044_010 @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a010*_d*_i* @angle:006_044_010 @atom:*_b*_a006*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a010*_d*_i* @angle:010_044_010 @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a010*_d*_i* @angle:002_044_013 @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a013*_d*_i* @angle:006_044_013 @atom:*_b*_a006*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a013*_d*_i* @angle:010_044_013 @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_044_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a013*_d*_i* @angle:003_044_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a013*_d*_i* @angle:025_044_045 @atom:*_b*_a025*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a045*_d*_i* @angle:013_044_045 @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a045*_d*_i* @angle:002_044_045 @atom:*_b*_a002*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a045*_d*_i* @angle:006_044_045 @atom:*_b*_a006*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a045*_d*_i* @angle:010_044_045 @atom:*_b*_a010*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a045*_d*_i* @angle:045_044_045 @atom:*_b*_a045*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a045*_d*_i* @angle:025_044_048 @atom:*_b*_a025*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @angle:045_044_048 @atom:*_b*_a045*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_044_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_044_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_044_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @angle:045_044_079 @atom:*_b*_a045*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a079*_d*_i* @angle:013_044_079 @atom:*_b*_a013*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a079*_d*_i* @angle:048_044_079 @atom:*_b*_a048*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a079*_d*_i* @angle:048_044_091 @atom:*_b*_a048*_d*_i* @atom:*_b*_a044*_d*_i* @atom:*_b*_a091*_d*_i* @angle:025_045_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a045*_d*_i* @atom:*_b*_a025*_d*_i* @angle:025_045_044 @atom:*_b*_a025*_d*_i* @atom:*_b*_a045*_d*_i* @atom:*_b*_a044*_d*_i* @angle:025_046_025 @atom:*_b*_a025*_d*_i* @atom:*_b*_a046*_d*_i* @atom:*_b*_a025*_d*_i* @angle:013_046_025 @atom:*_b*_a013*_d*_i* @atom:*_b*_a046*_d*_i* @atom:*_b*_a025*_d*_i* @angle:001_047_001 @atom:*_b*_a001*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a001*_d*_i* @angle:001_047_003 @atom:*_b*_a001*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a003*_d*_i* @angle:003_047_006 @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a006*_d*_i* @angle:003_047_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_047_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a013*_d*_i* @angle:025_047_046 @atom:*_b*_a025*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:020_047_046 @atom:*_b*_a020*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:013_047_046 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:046_047_046 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:003_047_046 @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:019_047_046 @atom:*_b*_a019*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:001_047_046 @atom:*_b*_a001*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:021_047_046 @atom:*_b*_a021*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a046*_d*_i* @angle:025_047_047 @atom:*_b*_a025*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:046_047_047 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:005_047_047 @atom:*_b*_a005*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:020_047_047 @atom:*_b*_a020*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:013_047_047 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:019_047_047 @atom:*_b*_a019*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:021_047_047 @atom:*_b*_a021*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:001_047_047 @atom:*_b*_a001*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:016_047_047 @atom:*_b*_a016*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:003_047_047 @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @angle:046_047_048 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @angle:047_047_048 @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_047_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @angle:025_047_050 @atom:*_b*_a025*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @angle:046_047_050 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @angle:005_047_050 @atom:*_b*_a005*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @angle:020_047_050 @atom:*_b*_a020*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @angle:013_047_050 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @angle:046_047_057 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a057*_d*_i* @angle:013_047_057 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a057*_d*_i* @angle:020_047_057 @atom:*_b*_a020*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a057*_d*_i* @angle:047_047_057 @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a057*_d*_i* @angle:016_047_057 @atom:*_b*_a016*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a057*_d*_i* @angle:057_047_058 @atom:*_b*_a057*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a058*_d*_i* @angle:047_047_058 @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a058*_d*_i* @angle:046_047_065 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a065*_d*_i* @angle:047_047_065 @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a065*_d*_i* @angle:046_047_091 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a091*_d*_i* @angle:003_047_091 @atom:*_b*_a003*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a091*_d*_i* @angle:047_047_091 @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a091*_d*_i* @angle:046_047_105 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @angle:058_047_105 @atom:*_b*_a058*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @angle:013_047_105 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @angle:020_047_105 @atom:*_b*_a020*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @angle:047_047_105 @atom:*_b*_a047*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @angle:016_047_105 @atom:*_b*_a016*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @angle:046_047_110 @atom:*_b*_a046*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a110*_d*_i* @angle:013_047_110 @atom:*_b*_a013*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a110*_d*_i* @angle:048_047_110 @atom:*_b*_a048*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a110*_d*_i* @angle:001_047_110 @atom:*_b*_a001*_d*_i* @atom:*_b*_a047*_d*_i* @atom:*_b*_a110*_d*_i* @angle:002_048_012 @atom:*_b*_a002*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a012*_d*_i* @angle:012_048_012 @atom:*_b*_a012*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a012*_d*_i* @angle:003_048_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a013*_d*_i* @angle:025_048_048 @atom:*_b*_a025*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_048_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_048_048 @atom:*_b*_a002*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:005_048_048 @atom:*_b*_a005*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:010_048_048 @atom:*_b*_a010*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_048_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:015_048_048 @atom:*_b*_a015*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:019_048_048 @atom:*_b*_a019*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:020_048_048 @atom:*_b*_a020*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:024_048_048 @atom:*_b*_a024*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:044_048_048 @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:047_048_048 @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:021_048_048 @atom:*_b*_a021*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:001_048_048 @atom:*_b*_a001*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:018_048_048 @atom:*_b*_a018*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:016_048_048 @atom:*_b*_a016*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_048_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @angle:025_048_049 @atom:*_b*_a025*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a049*_d*_i* @angle:024_048_049 @atom:*_b*_a024*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a049*_d*_i* @angle:003_048_049 @atom:*_b*_a003*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a049*_d*_i* @angle:048_048_049 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a049*_d*_i* @angle:048_048_050 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a050*_d*_i* @angle:048_048_053 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a053*_d*_i* @angle:055_048_055 @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a055*_d*_i* @angle:047_048_055 @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a055*_d*_i* @angle:048_048_055 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a055*_d*_i* @angle:049_048_056 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:013_048_056 @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:044_048_056 @atom:*_b*_a044*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:055_048_056 @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:005_048_056 @atom:*_b*_a005*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:047_048_056 @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:050_048_056 @atom:*_b*_a050*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:048_048_056 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:021_048_056 @atom:*_b*_a021*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @angle:049_048_057 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @angle:048_048_057 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @angle:055_048_057 @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @angle:013_048_057 @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @angle:047_048_057 @atom:*_b*_a047*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @angle:056_048_057 @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @angle:049_048_060 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:048_048_060 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:057_048_060 @atom:*_b*_a057*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:056_048_060 @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:055_048_060 @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:002_048_060 @atom:*_b*_a002*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:013_048_060 @atom:*_b*_a013*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @angle:049_048_061 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a061*_d*_i* @angle:048_048_061 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a061*_d*_i* @angle:057_048_061 @atom:*_b*_a057*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a061*_d*_i* @angle:048_048_064 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a064*_d*_i* @angle:048_048_065 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a065*_d*_i* @angle:048_048_066 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a066*_d*_i* @angle:048_048_079 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a079*_d*_i* @angle:049_048_081 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a081*_d*_i* @angle:048_048_081 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a081*_d*_i* @angle:049_048_084 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a084*_d*_i* @angle:060_048_084 @atom:*_b*_a060*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a084*_d*_i* @angle:048_048_084 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a084*_d*_i* @angle:049_048_086 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a086*_d*_i* @angle:048_048_086 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a086*_d*_i* @angle:056_048_086 @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a086*_d*_i* @angle:049_048_088 @atom:*_b*_a049*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a088*_d*_i* @angle:101_048_101 @atom:*_b*_a101*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a101*_d*_i* @angle:056_048_101 @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a101*_d*_i* @angle:048_048_102 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a102*_d*_i* @angle:048_048_109 @atom:*_b*_a048*_d*_i* @atom:*_b*_a048*_d*_i* @atom:*_b*_a109*_d*_i* @angle:025_050_046 @atom:*_b*_a025*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a046*_d*_i* @angle:019_050_046 @atom:*_b*_a019*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a046*_d*_i* @angle:025_050_047 @atom:*_b*_a025*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a047*_d*_i* @angle:046_050_047 @atom:*_b*_a046*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a047*_d*_i* @angle:003_050_047 @atom:*_b*_a003*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a047*_d*_i* @angle:013_050_047 @atom:*_b*_a013*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a047*_d*_i* @angle:046_050_048 @atom:*_b*_a046*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a048*_d*_i* @angle:047_050_048 @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a048*_d*_i* @angle:025_050_050 @atom:*_b*_a025*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a050*_d*_i* @angle:046_050_050 @atom:*_b*_a046*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a050*_d*_i* @angle:013_050_050 @atom:*_b*_a013*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a050*_d*_i* @angle:047_050_050 @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a050*_d*_i* @angle:050_050_084 @atom:*_b*_a050*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a084*_d*_i* @angle:046_050_084 @atom:*_b*_a046*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a084*_d*_i* @angle:046_050_109 @atom:*_b*_a046*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a109*_d*_i* @angle:013_050_109 @atom:*_b*_a013*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a109*_d*_i* @angle:047_050_109 @atom:*_b*_a047*_d*_i* @atom:*_b*_a050*_d*_i* @atom:*_b*_a109*_d*_i* @angle:006_051_006 @atom:*_b*_a006*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a006*_d*_i* @angle:005_051_013 @atom:*_b*_a005*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_051_020 @atom:*_b*_a013*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a020*_d*_i* @angle:002_051_020 @atom:*_b*_a002*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a020*_d*_i* @angle:006_051_020 @atom:*_b*_a006*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a020*_d*_i* @angle:005_051_020 @atom:*_b*_a005*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a020*_d*_i* @angle:020_051_020 @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a020*_d*_i* @angle:046_051_046 @atom:*_b*_a046*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a046*_d*_i* @angle:005_051_046 @atom:*_b*_a005*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a046*_d*_i* @angle:020_051_046 @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a046*_d*_i* @angle:013_051_046 @atom:*_b*_a013*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a046*_d*_i* @angle:046_051_105 @atom:*_b*_a046*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a105*_d*_i* @angle:013_051_105 @atom:*_b*_a013*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a105*_d*_i* @angle:020_051_105 @atom:*_b*_a020*_d*_i* @atom:*_b*_a051*_d*_i* @atom:*_b*_a105*_d*_i* @angle:013_053_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_053_025 @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a025*_d*_i* @angle:045_053_045 @atom:*_b*_a045*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a045*_d*_i* @angle:025_053_048 @atom:*_b*_a025*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_053_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_053_054 @atom:*_b*_a002*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a054*_d*_i* @angle:006_053_054 @atom:*_b*_a006*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a054*_d*_i* @angle:013_053_054 @atom:*_b*_a013*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a054*_d*_i* @angle:048_053_054 @atom:*_b*_a048*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a054*_d*_i* @angle:054_053_054 @atom:*_b*_a054*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a054*_d*_i* @angle:025_053_082 @atom:*_b*_a025*_d*_i* @atom:*_b*_a053*_d*_i* @atom:*_b*_a082*_d*_i* @angle:013_055_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a013*_d*_i* @angle:045_055_045 @atom:*_b*_a045*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a045*_d*_i* @angle:013_055_045 @atom:*_b*_a013*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a045*_d*_i* @angle:045_055_048 @atom:*_b*_a045*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_055_048 @atom:*_b*_a002*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @angle:006_055_048 @atom:*_b*_a006*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_055_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a048*_d*_i* @angle:002_055_054 @atom:*_b*_a002*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a054*_d*_i* @angle:013_055_054 @atom:*_b*_a013*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a054*_d*_i* @angle:048_055_054 @atom:*_b*_a048*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a054*_d*_i* @angle:054_055_054 @atom:*_b*_a054*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a054*_d*_i* @angle:045_055_059 @atom:*_b*_a045*_d*_i* @atom:*_b*_a055*_d*_i* @atom:*_b*_a059*_d*_i* @angle:003_056_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_056_018 @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a018*_d*_i* @angle:025_056_048 @atom:*_b*_a025*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @angle:045_056_048 @atom:*_b*_a045*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_056_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_056_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_056_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a048*_d*_i* @angle:013_056_056 @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a056*_d*_i* @angle:048_056_056 @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a056*_d*_i* @angle:025_056_059 @atom:*_b*_a025*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a059*_d*_i* @angle:048_056_059 @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a059*_d*_i* @angle:059_056_059 @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a059*_d*_i* @angle:059_056_060 @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a060*_d*_i* @angle:048_056_060 @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a060*_d*_i* @angle:059_056_082 @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a082*_d*_i* @angle:048_056_086 @atom:*_b*_a048*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a086*_d*_i* @angle:013_056_103 @atom:*_b*_a013*_d*_i* @atom:*_b*_a056*_d*_i* @atom:*_b*_a103*_d*_i* @angle:003_057_003 @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a003*_d*_i* @angle:003_057_045 @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a045*_d*_i* @angle:045_057_047 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a047*_d*_i* @angle:003_057_047 @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a047*_d*_i* @angle:045_057_048 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a048*_d*_i* @angle:003_057_048 @atom:*_b*_a003*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_057_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a048*_d*_i* @angle:045_057_060 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a060*_d*_i* @angle:013_057_060 @atom:*_b*_a013*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a060*_d*_i* @angle:060_057_061 @atom:*_b*_a060*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a061*_d*_i* @angle:045_057_061 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a061*_d*_i* @angle:013_057_061 @atom:*_b*_a013*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a061*_d*_i* @angle:048_057_061 @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a061*_d*_i* @angle:045_057_062 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a062*_d*_i* @angle:060_057_062 @atom:*_b*_a060*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a062*_d*_i* @angle:048_057_062 @atom:*_b*_a048*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a062*_d*_i* @angle:013_057_062 @atom:*_b*_a013*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a062*_d*_i* @angle:045_057_081 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a081*_d*_i* @angle:045_057_082 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a082*_d*_i* @angle:061_057_082 @atom:*_b*_a061*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a082*_d*_i* @angle:060_057_082 @atom:*_b*_a060*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a082*_d*_i* @angle:045_057_084 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a084*_d*_i* @angle:061_057_084 @atom:*_b*_a061*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a084*_d*_i* @angle:060_057_084 @atom:*_b*_a060*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a084*_d*_i* @angle:082_057_084 @atom:*_b*_a082*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a084*_d*_i* @angle:084_057_084 @atom:*_b*_a084*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a084*_d*_i* @angle:081_057_084 @atom:*_b*_a081*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a084*_d*_i* @angle:045_057_085 @atom:*_b*_a045*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a085*_d*_i* @angle:082_057_085 @atom:*_b*_a082*_d*_i* @atom:*_b*_a057*_d*_i* @atom:*_b*_a085*_d*_i* @angle:024_059_055 @atom:*_b*_a024*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a055*_d*_i* @angle:049_059_056 @atom:*_b*_a049*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @angle:013_059_056 @atom:*_b*_a013*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @angle:055_059_056 @atom:*_b*_a055*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @angle:024_059_056 @atom:*_b*_a024*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @angle:056_059_056 @atom:*_b*_a056*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a056*_d*_i* @angle:056_059_063 @atom:*_b*_a056*_d*_i* @atom:*_b*_a059*_d*_i* @atom:*_b*_a063*_d*_i* @angle:013_060_048 @atom:*_b*_a013*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a048*_d*_i* @angle:048_060_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a048*_d*_i* @angle:056_060_057 @atom:*_b*_a056*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a057*_d*_i* @angle:057_060_060 @atom:*_b*_a057*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a060*_d*_i* @angle:020_060_060 @atom:*_b*_a020*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a060*_d*_i* @angle:016_060_060 @atom:*_b*_a016*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a060*_d*_i* @angle:013_060_060 @atom:*_b*_a013*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a060*_d*_i* @angle:024_060_060 @atom:*_b*_a024*_d*_i* 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@atom:*_b*_a081*_d*_i* @angle:048_060_081 @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a081*_d*_i* @angle:003_060_084 @atom:*_b*_a003*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a084*_d*_i* @angle:060_060_087 @atom:*_b*_a060*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a087*_d*_i* @angle:057_060_087 @atom:*_b*_a057*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a087*_d*_i* @angle:081_060_087 @atom:*_b*_a081*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a087*_d*_i* @angle:012_060_087 @atom:*_b*_a012*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a087*_d*_i* @angle:048_060_087 @atom:*_b*_a048*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a087*_d*_i* @angle:060_060_105 @atom:*_b*_a060*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a105*_d*_i* @angle:056_060_105 @atom:*_b*_a056*_d*_i* @atom:*_b*_a060*_d*_i* @atom:*_b*_a105*_d*_i* @angle:048_061_048 @atom:*_b*_a048*_d*_i* @atom:*_b*_a061*_d*_i* @atom:*_b*_a048*_d*_i* @angle:025_061_057 @atom:*_b*_a025*_d*_i* @atom:*_b*_a061*_d*_i* @atom:*_b*_a057*_d*_i* 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@atom:*_b*_a105*_d*_i* @atom:*_b*_a047*_d*_i* @angle:013_105_047 @atom:*_b*_a013*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a047*_d*_i* @angle:003_105_047 @atom:*_b*_a003*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a047*_d*_i* @angle:003_105_051 @atom:*_b*_a003*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a051*_d*_i* @angle:047_105_051 @atom:*_b*_a047*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a051*_d*_i* @angle:045_105_060 @atom:*_b*_a045*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a060*_d*_i* @angle:006_105_060 @atom:*_b*_a006*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a060*_d*_i* @angle:010_105_060 @atom:*_b*_a010*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a060*_d*_i* @angle:013_105_060 @atom:*_b*_a013*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a060*_d*_i* @angle:051_105_060 @atom:*_b*_a051*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a060*_d*_i* @angle:045_105_062 @atom:*_b*_a045*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a062*_d*_i* @angle:060_105_062 @atom:*_b*_a060*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a062*_d*_i* @angle:006_105_062 @atom:*_b*_a006*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a062*_d*_i* @angle:010_105_062 @atom:*_b*_a010*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a062*_d*_i* @angle:013_105_062 @atom:*_b*_a013*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a062*_d*_i* @angle:051_105_062 @atom:*_b*_a051*_d*_i* @atom:*_b*_a105*_d*_i* @atom:*_b*_a062*_d*_i* @angle:004_106_024 @atom:*_b*_a004*_d*_i* @atom:*_b*_a106*_d*_i* @atom:*_b*_a024*_d*_i* @angle:024_106_024 @atom:*_b*_a024*_d*_i* @atom:*_b*_a106*_d*_i* @atom:*_b*_a024*_d*_i* @angle:013_107_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a107*_d*_i* @atom:*_b*_a013*_d*_i* @angle:003_107_013 @atom:*_b*_a003*_d*_i* @atom:*_b*_a107*_d*_i* @atom:*_b*_a013*_d*_i* @angle:001_108_013 @atom:*_b*_a001*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_108_013 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a013*_d*_i* @angle:013_108_020 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a020*_d*_i* @angle:020_108_020 @atom:*_b*_a020*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a020*_d*_i* @angle:013_108_021 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a021*_d*_i* @angle:045_108_045 @atom:*_b*_a045*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a045*_d*_i* @angle:013_108_045 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a045*_d*_i* @angle:046_108_046 @atom:*_b*_a046*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a046*_d*_i* @angle:013_108_046 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a046*_d*_i* @angle:013_108_065 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a065*_d*_i* @angle:013_108_066 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a066*_d*_i* @angle:013_108_108 @atom:*_b*_a013*_d*_i* @atom:*_b*_a108*_d*_i* @atom:*_b*_a108*_d*_i* @angle:046_109_048 @atom:*_b*_a046*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a048*_d*_i* @angle:046_109_050 @atom:*_b*_a046*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a050*_d*_i* @angle:013_109_050 @atom:*_b*_a013*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a050*_d*_i* @angle:046_109_109 @atom:*_b*_a046*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a109*_d*_i* @angle:013_109_109 @atom:*_b*_a013*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a109*_d*_i* @angle:050_109_109 @atom:*_b*_a050*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a109*_d*_i* @angle:048_109_109 @atom:*_b*_a048*_d*_i* @atom:*_b*_a109*_d*_i* @atom:*_b*_a109*_d*_i* @angle:004_110_047 @atom:*_b*_a004*_d*_i* @atom:*_b*_a110*_d*_i* @atom:*_b*_a047*_d*_i* @angle:047_110_047 @atom:*_b*_a047*_d*_i* @atom:*_b*_a110*_d*_i* @atom:*_b*_a047*_d*_i* } #(end of angles by type) # ----------- Dihedral Interactions: ------------ # http://lammps.sandia.gov/doc/dihedral_opls.html # Syntax: # dihedral_coeff DihedralTypeName parameters... write_once("In Settings") { dihedral_coeff @dihedral:X_002_002_002 -2.5 1.25 3.1 0.0 dihedral_coeff @dihedral:X_002_002_006 -2.5 1.25 3.1 0.0 dihedral_coeff @dihedral:001_002_002_002 -2.0 0.7 3.0 0.0 dihedral_coeff @dihedral:001_002_002_006 -2.0 0.7 3.0 0.0 dihedral_coeff @dihedral:002_002_002_002 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_002_006 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_002_010 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_002_013 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_002_065 -2.0 0.5 3.25 0.0 dihedral_coeff @dihedral:006_002_002_006 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:006_002_002_065 -2.0 0.5 3.25 0.0 dihedral_coeff @dihedral:010_002_002_010 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_005_007 0.3 0.0 1.3 0.0 dihedral_coeff @dihedral:006_002_005_007 0.3 0.0 1.3 0.0 dihedral_coeff @dihedral:010_002_005_007 0.3 0.0 1.3 0.0 dihedral_coeff @dihedral:X_002_010_002 -2.5 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_010_002 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:002_002_013_002 -3.4 1.25 3.1 0.0 dihedral_coeff @dihedral:006_002_020_002 -7.4 3.0 1.8 0.0 dihedral_coeff @dihedral:006_002_020_006 -8.4 3.0 1.8 0.0 dihedral_coeff @dihedral:004_003_003_004 1.6 3.2 0.0 0.0 dihedral_coeff @dihedral:004_003_003_013 0.0 0.5 0.0 0.0 dihedral_coeff @dihedral:004_003_003_024 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_003_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:013_003_003_013 0.7 -1.5 0.0 0.0 dihedral_coeff @dihedral:013_003_003_024 -0.5 0.2 0.0 0.0 dihedral_coeff @dihedral:013_003_003_046 0.8 -0.76 0.0 0.0 dihedral_coeff @dihedral:024_003_003_046 -0.9 0.3 0.0 0.0 dihedral_coeff @dihedral:046_003_003_046 0.0 0.0 0.3 0.0 dihedral_coeff @dihedral:003_003_005_007 3.0 5.5 0.0 0.0 dihedral_coeff @dihedral:004_003_005_007 0.0 5.0 0.0 0.0 dihedral_coeff @dihedral:013_003_005_007 1.5 5.5 0.0 0.0 dihedral_coeff @dihedral:024_003_005_007 -2.0 5.0 0.0 0.0 dihedral_coeff @dihedral:046_003_005_007 1.5 5.5 0.0 0.0 dihedral_coeff @dihedral:048_003_005_007 4.0 5.0 0.0 0.0 dihedral_coeff @dihedral:001_003_013_013 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:001_003_013_046 0.0 0.0 0.36 0.0 dihedral_coeff @dihedral:003_003_013_046 0.0 0.0 0.085 0.0 dihedral_coeff @dihedral:004_003_013_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_013_013 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_013_021 -0.65 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_013_044 0.0 0.82 0.0 0.0 dihedral_coeff @dihedral:004_003_013_024 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_013_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_013_048 0.0 0.546 0.0 0.0 dihedral_coeff @dihedral:005_003_013_013 0.0 1.412 0.0 0.0 dihedral_coeff @dihedral:005_003_013_044 5.26 0.82 0.0 0.0 dihedral_coeff @dihedral:005_003_013_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:013_003_013_013 1.454 -0.144 -0.775 0.0 dihedral_coeff @dihedral:013_003_013_046 0.0 0.0 0.275 0.0 dihedral_coeff @dihedral:020_003_013_013 0.0 0.0 -0.553 0.0 dihedral_coeff @dihedral:020_003_013_046 0.0 0.0 0.132 0.0 dihedral_coeff @dihedral:021_003_013_013 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:021_003_013_046 0.0 0.0 0.36 0.0 dihedral_coeff @dihedral:024_003_013_013 1.173 0.189 -1.2 0.0 dihedral_coeff @dihedral:024_003_013_021 0.65 0.0 0.0 0.0 dihedral_coeff @dihedral:024_003_013_024 1.816 1.222 1.581 0.0 dihedral_coeff @dihedral:024_003_013_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:046_003_013_013 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:046_003_013_046 0.0 0.0 0.36 0.0 dihedral_coeff @dihedral:048_003_013_046 0.0 0.0 0.275 0.0 dihedral_coeff @dihedral:052_003_013_013 0.0 0.82 0.0 0.0 dihedral_coeff @dihedral:052_003_013_044 0.0 0.82 0.0 0.0 dihedral_coeff @dihedral:052_003_013_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:065_003_013_013 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:065_003_013_046 0.0 0.0 0.36 0.0 dihedral_coeff @dihedral:107_003_013_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_020_013 0.0 5.124 0.0 0.0 dihedral_coeff @dihedral:004_003_020_048 0.0 5.0 0.0 0.0 dihedral_coeff @dihedral:013_003_020_013 4.669 5.124 0.0 0.0 dihedral_coeff @dihedral:013_003_020_048 1.5 5.0 0.0 0.0 dihedral_coeff @dihedral:024_003_020_013 -2.0 5.0 0.0 0.0 dihedral_coeff @dihedral:046_003_020_013 4.669 5.124 0.0 0.0 dihedral_coeff @dihedral:048_003_020_013 4.0 5.0 0.0 0.0 dihedral_coeff @dihedral:003_003_024_013 0.4 4.9 0.0 0.0 dihedral_coeff @dihedral:003_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:004_003_024_005 0.0 6.603 0.0 0.0 dihedral_coeff @dihedral:004_003_024_013 0.0 6.089 0.0 0.0 dihedral_coeff @dihedral:004_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:004_003_024_047 0.0 6.089 0.0 0.0 dihedral_coeff @dihedral:004_003_024_048 0.0 6.089 0.0 0.0 dihedral_coeff @dihedral:004_003_024_091 0.0 6.089 0.0 0.0 dihedral_coeff @dihedral:005_003_024_013 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:005_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:013_003_024_005 4.542 6.603 1.045 0.0 dihedral_coeff @dihedral:013_003_024_013 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:013_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:013_003_024_048 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:020_003_024_013 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:020_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:024_003_024_003 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:024_003_024_013 4.6 0.0 0.0 0.0 dihedral_coeff @dihedral:024_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:046_003_024_013 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:046_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:047_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:048_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:048_003_024_048 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:048_003_024_084 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:048_003_024_087 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:084_003_024_048 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:084_003_024_084 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:084_003_024_087 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:087_003_024_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:087_003_024_048 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:087_003_024_084 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:087_003_024_087 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:X_003_047_013 0.9 0.23 -0.505 0.0 dihedral_coeff @dihedral:004_003_047_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_047_047 2.5 6.0 0.0 0.0 dihedral_coeff @dihedral:005_003_047_047 3.2 -3.0 0.0 0.0 dihedral_coeff @dihedral:024_003_047_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:024_003_047_047 2.0 0.0 0.0 0.0 dihedral_coeff @dihedral:107_003_047_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:107_003_047_047 2.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_048_048 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:005_003_048_048 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:013_003_048_048 0.0 0.2 0.0 0.0 dihedral_coeff @dihedral:020_003_048_048 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:024_003_048_048 0.0 1.1 0.0 0.0 dihedral_coeff @dihedral:046_003_048_048 0.0 0.2 0.0 0.0 dihedral_coeff @dihedral:X_003_050_013 0.9 0.23 -0.505 0.0 dihedral_coeff @dihedral:004_003_050_047 2.5 6.0 0.0 0.0 dihedral_coeff @dihedral:005_003_050_047 3.2 -3.0 0.0 0.0 dihedral_coeff @dihedral:013_003_050_047 0.8 -3.0 0.0 0.0 dihedral_coeff @dihedral:013_003_056_X 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:013_003_056_013 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:046_003_056_X 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:046_003_056_045 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:X_003_060_X 0.0 7.0 0.0 0.0 dihedral_coeff @dihedral:004_003_060_X 0.0 7.0 0.0 0.0 dihedral_coeff @dihedral:004_003_082_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_003_082_057 2.0 1.0 0.0 0.0 dihedral_coeff @dihedral:004_003_082_061 0.0 1.0 0.0 0.0 dihedral_coeff @dihedral:082_003_082_057 -2.0 1.0 0.0 0.0 dihedral_coeff @dihedral:082_003_082_061 0.0 1.0 0.0 0.0 dihedral_coeff @dihedral:004_003_084_020 -0.75 1.5 0.0 0.0 dihedral_coeff @dihedral:004_003_084_087 0.75 1.5 0.0 0.0 dihedral_coeff @dihedral:084_003_084_020 0.0 1.5 0.0 0.0 dihedral_coeff @dihedral:084_003_084_087 0.0 1.5 0.0 0.0 dihedral_coeff @dihedral:048_003_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_003_087_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:004_003_087_084 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:004_003_087_087 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:024_003_087_084 0.0 1.1 0.0 0.0 dihedral_coeff @dihedral:024_003_087_087 0.0 1.1 0.0 0.0 dihedral_coeff @dihedral:004_003_107_013 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:013_003_107_013 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:004_003_109_109 2.5 6.0 0.0 0.0 dihedral_coeff @dihedral:005_003_109_109 3.2 -3.0 0.0 0.0 dihedral_coeff @dihedral:X_004_106_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:007_005_010_002 0.3 0.0 0.5 0.0 dihedral_coeff @dihedral:007_005_010_006 0.3 0.0 0.5 0.0 dihedral_coeff @dihedral:007_005_013_002 0.0 0.0 0.2 0.0 dihedral_coeff @dihedral:007_005_013_006 0.0 0.0 0.2 0.0 dihedral_coeff @dihedral:007_005_013_013 -0.356 -0.174 0.492 0.0 dihedral_coeff @dihedral:007_005_013_046 0.0 0.0 0.352 0.0 dihedral_coeff 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@dihedral:X_013_013_013 1.711 -0.5 0.663 0.0 dihedral_coeff @dihedral:X_013_013_024 1.428 0.086 0.029 0.0 dihedral_coeff @dihedral:001_013_013_001 -2.5 0.0 0.25 0.0 dihedral_coeff @dihedral:001_013_013_005 0.0 0.0 0.54 0.0 dihedral_coeff @dihedral:001_013_013_013 0.3 -0.4 0.4 0.0 dihedral_coeff @dihedral:001_013_013_046 0.0 0.0 0.4 0.0 dihedral_coeff @dihedral:003_013_013_003 -0.55 0.0 1.0 0.0 dihedral_coeff @dihedral:003_013_013_005 -6.18 0.0 0.0 0.0 dihedral_coeff @dihedral:003_013_013_013 -2.06 -0.313 0.315 0.0 dihedral_coeff @dihedral:003_013_013_015 -4.344 -1.714 0.0 0.0 dihedral_coeff @dihedral:003_013_013_016 -4.344 -1.714 0.0 0.0 dihedral_coeff @dihedral:003_013_013_024 -9.0 2.0 0.8 0.0 dihedral_coeff @dihedral:003_013_013_046 0.0 0.0 -0.1 0.0 dihedral_coeff @dihedral:003_013_013_048 -1.697 -0.456 0.585 0.0 dihedral_coeff @dihedral:003_013_013_080 -1.697 -0.456 0.585 0.0 dihedral_coeff @dihedral:005_013_013_005 9.508 0.0 0.0 0.0 dihedral_coeff @dihedral:005_013_013_013 -1.552 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dihedral_coeff @dihedral:046_050_109_046 0.0 0.0 0.3 0.0 dihedral_coeff @dihedral:046_050_109_109 0.0 0.0 -0.372 0.0 dihedral_coeff @dihedral:047_050_109_013 0.0 0.0 -0.372 0.0 dihedral_coeff @dihedral:047_050_109_046 0.0 0.0 -0.372 0.0 dihedral_coeff @dihedral:047_050_109_109 1.423 4.055 0.858 0.0 dihedral_coeff @dihedral:013_053_082_061 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:048_053_082_061 0.0 2.1 0.0 0.0 dihedral_coeff @dihedral:045_055_059_X 0.0 2.03 0.0 0.0 dihedral_coeff @dihedral:013_056_056_013 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:013_056_056_048 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:048_056_056_048 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_056_059_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_056_059_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_056_060_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_056_062_X 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:X_056_082_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:048_056_086_048 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:048_056_086_086 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_057_060_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:045_057_060_X 0.0 5.0 0.0 0.0 dihedral_coeff @dihedral:X_057_061_X 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:X_057_062_X 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:X_057_081_X 0.0 3.05 0.0 0.0 dihedral_coeff @dihedral:X_057_082_X 0.0 4.65 0.0 0.0 dihedral_coeff @dihedral:X_057_082_049 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:045_057_082_X 0.0 5.0 0.0 0.0 dihedral_coeff @dihedral:X_057_084_X 0.0 2.8 0.0 0.0 dihedral_coeff @dihedral:045_057_084_X 0.0 5.0 0.0 0.0 dihedral_coeff @dihedral:061_057_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:084_057_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_060_060_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_060_061_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_060_080_X 0.0 3.35 0.0 0.0 dihedral_coeff @dihedral:X_060_081_X 0.0 6.0 0.0 0.0 dihedral_coeff @dihedral:X_060_087_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:048_060_087_084 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:060_060_087_084 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_061_061_X 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:X_061_062_X 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:X_061_082_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_061_082_049 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:083_061_082_016 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:088_061_082_016 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:088_061_082_020 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_061_083_X 0.0 4.8 0.0 0.0 dihedral_coeff @dihedral:082_061_083_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:082_061_083_084 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_061_084_X 0.0 10.0 0.0 0.0 dihedral_coeff @dihedral:X_061_088_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:082_061_088_084 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_080_084_X 0.0 13.05 0.0 0.0 dihedral_coeff @dihedral:X_082_084_X 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:016_082_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:020_082_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:057_082_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:061_082_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_082_087_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_083_084_X 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:X_083_084_049 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:049_083_084_X 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:049_083_084_016 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:049_083_084_049 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:061_083_084_016 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:061_083_084_020 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:061_083_084_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_083_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:061_083_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:061_083_087_X 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:084_083_087_X 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_084_084_X 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:X_084_084_049 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:016_084_084_049 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:049_084_084_049 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:X_084_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:016_084_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:020_084_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:057_084_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_084_087_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_084_087_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:049_084_087_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_084_088_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:016_084_088_049 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:016_084_088_061 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:020_084_088_061 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:049_084_088_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:049_084_088_061 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:048_086_086_048 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:048_086_086_056 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:048_086_087_X 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:048_086_088_X 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:048_086_088_061 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:056_086_088_X 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_087_087_020 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_087_087_057 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:X_087_087_087 0.0 2.17 0.0 0.0 dihedral_coeff @dihedral:049_087_087_049 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:004_089_090_013 0.0 6.089 0.0 0.0 dihedral_coeff @dihedral:004_089_090_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:004_089_090_048 0.0 6.089 0.0 0.0 dihedral_coeff @dihedral:004_089_090_091 0.0 20.0 0.0 0.0 dihedral_coeff @dihedral:091_089_090_013 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:091_089_090_045 0.0 4.9 0.0 0.0 dihedral_coeff @dihedral:091_089_090_048 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:091_089_090_091 2.3 6.089 0.0 0.0 dihedral_coeff @dihedral:X_089_091_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_089_091_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:004_089_091_091 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:090_089_091_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:090_089_091_091 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:X_090_091_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:X_090_091_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:X_090_091_091 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:X_091_091_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:X_091_091_024 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:013_091_091_013 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:013_091_091_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:046_091_091_046 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:046_091_091_091 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:091_091_091_091 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:X_109_109_X 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:013_109_109_013 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:013_109_109_046 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:013_109_109_048 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:013_109_109_050 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:013_109_109_109 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:046_109_109_046 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:046_109_109_048 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:046_109_109_050 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:046_109_109_109 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:048_109_109_048 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:048_109_109_050 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:048_109_109_109 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:050_109_109_050 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:050_109_109_109 0.0 14.0 0.0 0.0 dihedral_coeff @dihedral:109_109_109_109 1.423 4.055 0.858 0.0 dihedral_coeff @dihedral:024_003_013_053 1.816 1.222 1.581 0.0 dihedral_coeff @dihedral:052_003_013_024 0.0 0.82 0.0 0.0 dihedral_coeff @dihedral:003_013_013_053 1.0 0.0 0.0 0.0 dihedral_coeff @dihedral:003_013_013_083 -1.697 -0.456 0.585 0.0 dihedral_coeff @dihedral:003_013_013_084 -1.697 -0.456 0.585 0.0 dihedral_coeff @dihedral:003_013_013_085 -1.697 -0.456 0.585 0.0 dihedral_coeff @dihedral:005_013_013_053 6.28 -1.467 2.03 0.0 dihedral_coeff @dihedral:015_013_013_053 1.428 0.086 0.029 0.0 dihedral_coeff @dihedral:016_013_013_053 1.428 0.086 0.029 0.0 dihedral_coeff @dihedral:013_013_013_055 2.732 -0.229 0.485 0.0 dihedral_coeff @dihedral:024_013_013_083 0.845 -0.962 0.713 0.0 dihedral_coeff @dihedral:053_013_013_083 1.0 0.0 0.0 0.0 dihedral_coeff @dihedral:024_013_013_084 0.845 -0.962 0.713 0.0 dihedral_coeff @dihedral:053_013_013_084 1.0 0.0 0.0 0.0 dihedral_coeff @dihedral:024_013_013_085 0.845 -0.962 0.713 0.0 dihedral_coeff @dihedral:046_013_013_085 0.0 0.0 0.462 0.0 dihedral_coeff @dihedral:053_013_013_085 1.0 0.0 0.0 0.0 dihedral_coeff @dihedral:003_013_053_013 1.438 -0.124 0.264 0.0 dihedral_coeff @dihedral:003_013_053_054 0.0 0.0 0.347 0.0 dihedral_coeff @dihedral:013_013_053_054 0.0 0.0 0.347 0.0 dihedral_coeff @dihedral:046_013_055_054 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:013_013_085_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:013_013_085_057 1.7 -0.6 0.0 0.0 dihedral_coeff @dihedral:046_013_085_X 0.0 0.0 0.0 0.0 dihedral_coeff @dihedral:055_048_055_054 0.0 3.9 0.0 0.0 dihedral_coeff @dihedral:X_048_081_X 0.0 7.25 0.0 0.0 dihedral_coeff @dihedral:X_057_085_X 0.0 5.0 0.0 0.0 dihedral_coeff @dihedral:X_085_085_X 0.0 10.75 0.0 0.0 dihedral_coeff @dihedral:013_013_013_020 1.3 -0.05 0.2 0.0 dihedral_coeff @dihedral:013_013_013_047 1.3 -0.05 0.2 0.0 } #(end of dihedral_coeffs) # Rules for creating dihedral interactions according to atom type: # DihedralTypeName AtomType1 AtomType2 AtomType3 AtomType4 # (* = wildcard) write_once("Data Dihedrals By Type") { @dihedral:X_002_002_002 @atom:* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @dihedral:X_002_002_006 @atom:* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d006*_i* @dihedral:001_002_002_002 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @dihedral:001_002_002_006 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d006*_i* @dihedral:002_002_002_002 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @dihedral:002_002_002_006 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d006*_i* @dihedral:002_002_002_010 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d010*_i* @dihedral:002_002_002_013 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d013*_i* @dihedral:002_002_002_065 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d065*_i* @dihedral:006_002_002_006 @atom:*_b*_a*_d006*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d006*_i* @dihedral:006_002_002_065 @atom:*_b*_a*_d006*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d065*_i* @dihedral:010_002_002_010 @atom:*_b*_a*_d010*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d010*_i* @dihedral:002_002_005_007 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:006_002_005_007 @atom:*_b*_a*_d006*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:010_002_005_007 @atom:*_b*_a*_d010*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:X_002_010_002 @atom:* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d010*_i* @atom:*_b*_a*_d002*_i* @dihedral:002_002_010_002 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d010*_i* @atom:*_b*_a*_d002*_i* @dihedral:002_002_013_002 @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d002*_i* @dihedral:006_002_020_002 @atom:*_b*_a*_d006*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d002*_i* @dihedral:006_002_020_006 @atom:*_b*_a*_d006*_i* @atom:*_b*_a*_d002*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d006*_i* @dihedral:004_003_003_004 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d004*_i* @dihedral:004_003_003_013 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_003_024 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @dihedral:004_003_003_046 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_003_003_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_003_003_024 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @dihedral:013_003_003_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d046*_i* @dihedral:024_003_003_046 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_003_003_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d046*_i* @dihedral:003_003_005_007 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:004_003_005_007 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:013_003_005_007 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:024_003_005_007 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:046_003_005_007 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:048_003_005_007 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d007*_i* @dihedral:001_003_013_013 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:001_003_013_046 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:003_003_013_046 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:004_003_013_X @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:* @dihedral:004_003_013_013 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_013_021 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d021*_i* @dihedral:004_003_013_044 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:004_003_013_024 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:004_003_013_046 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:004_003_013_048 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @dihedral:005_003_013_013 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:005_003_013_044 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:005_003_013_046 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_003_013_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_003_013_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:020_003_013_013 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:020_003_013_046 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:021_003_013_013 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:021_003_013_046 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:024_003_013_013 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:024_003_013_021 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d021*_i* @dihedral:024_003_013_024 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:024_003_013_046 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_003_013_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_003_013_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:048_003_013_046 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:052_003_013_013 @atom:*_b*_a*_d052*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:052_003_013_044 @atom:*_b*_a*_d052*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:052_003_013_046 @atom:*_b*_a*_d052*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:065_003_013_013 @atom:*_b*_a*_d065*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:065_003_013_046 @atom:*_b*_a*_d065*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:107_003_013_046 @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:004_003_020_013 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_020_048 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_003_020_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_003_020_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @dihedral:024_003_020_013 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_003_020_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:048_003_020_013 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:003_003_024_013 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:003_003_024_045 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:004_003_024_005 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d005*_i* @dihedral:004_003_024_013 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_024_045 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:004_003_024_047 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d047*_i* @dihedral:004_003_024_048 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @dihedral:004_003_024_091 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @dihedral:005_003_024_013 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:005_003_024_045 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_003_024_005 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d005*_i* @dihedral:013_003_024_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_003_024_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_003_024_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @dihedral:020_003_024_013 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:020_003_024_045 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:024_003_024_003 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @dihedral:024_003_024_013 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:024_003_024_045 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_003_024_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_003_024_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:047_003_024_045 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:048_003_024_045 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:048_003_024_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_003_024_084 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @dihedral:048_003_024_087 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d087*_i* @dihedral:084_003_024_048 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @dihedral:084_003_024_084 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @dihedral:084_003_024_087 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d087*_i* @dihedral:087_003_024_045 @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:087_003_024_048 @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @dihedral:087_003_024_084 @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @dihedral:087_003_024_087 @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d087*_i* @dihedral:X_003_047_013 @atom:* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_047_046 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:004_003_047_047 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:005_003_047_047 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:024_003_047_046 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:024_003_047_047 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:107_003_047_046 @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:107_003_047_047 @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:004_003_048_048 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:005_003_048_048 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_003_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:020_003_048_048 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:024_003_048_048 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_003_048_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_003_050_013 @atom:* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_050_047 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:005_003_050_047 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_003_050_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_003_056_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d056*_i* @atom:* @dihedral:013_003_056_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_003_056_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d056*_i* @atom:* @dihedral:046_003_056_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d045*_i* @dihedral:X_003_060_X @atom:* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:004_003_060_X @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:004_003_082_X @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:004_003_082_057 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d057*_i* @dihedral:004_003_082_061 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:082_003_082_057 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d057*_i* @dihedral:082_003_082_061 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:004_003_084_020 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @dihedral:004_003_084_087 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d087*_i* @dihedral:084_003_084_020 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @dihedral:084_003_084_087 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d087*_i* @dihedral:048_003_086_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_003_087_X @atom:* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:004_003_087_084 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d084*_i* @dihedral:004_003_087_087 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @dihedral:024_003_087_084 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d084*_i* @dihedral:024_003_087_087 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @dihedral:004_003_107_013 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_003_107_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_003_109_109 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:005_003_109_109 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:X_004_106_X @atom:* @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d106*_i* @atom:* @dihedral:007_005_010_002 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d010*_i* @atom:*_b*_a*_d002*_i* @dihedral:007_005_010_006 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d010*_i* @atom:*_b*_a*_d006*_i* @dihedral:007_005_013_002 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d002*_i* @dihedral:007_005_013_006 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d006*_i* @dihedral:007_005_013_013 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:007_005_013_046 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:007_005_013_047 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @dihedral:007_005_013_048 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @dihedral:007_005_013_050 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @dihedral:007_005_044_013 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @dihedral:007_005_044_045 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d045*_i* @dihedral:007_005_024_003 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @dihedral:007_005_024_045 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:007_005_047_047 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:007_005_048_048 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:007_005_051_020 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d020*_i* @dihedral:007_005_056_003 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d003*_i* @dihedral:007_005_064_004 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d004*_i* @dihedral:007_005_064_005 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d005*_i* @dihedral:007_005_079_013 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d013*_i* @dihedral:007_005_079_023 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d023*_i* @dihedral:007_005_079_048 @atom:*_b*_a*_d007*_i* @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_013_013_003 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @dihedral:X_013_013_013 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:X_013_013_024 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:001_013_013_001 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d001*_i* @dihedral:001_013_013_005 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d005*_i* @dihedral:001_013_013_013 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:001_013_013_046 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:003_013_013_003 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d003*_i* @dihedral:003_013_013_005 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d005*_i* @dihedral:003_013_013_013 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:003_013_013_015 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d015*_i* @dihedral:003_013_013_016 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @dihedral:003_013_013_024 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:003_013_013_046 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:003_013_013_048 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @dihedral:003_013_013_080 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @dihedral:005_013_013_005 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d005*_i* @dihedral:005_013_013_013 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:005_013_013_020 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @dihedral:005_013_013_044 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:005_013_013_024 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:005_013_013_046 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_013_013_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_013_015 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d015*_i* @dihedral:013_013_013_016 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @dihedral:013_013_013_019 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @dihedral:013_013_013_021 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d021*_i* @dihedral:013_013_013_044 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:013_013_013_024 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:013_013_013_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_013_013_051 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d051*_i* @dihedral:013_013_013_053 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:013_013_013_065 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d065*_i* @dihedral:013_013_013_066 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d066*_i* @dihedral:013_013_013_079 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @dihedral:013_013_013_107 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @dihedral:013_013_013_108 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @dihedral:015_013_013_046 @atom:*_b*_a*_d015*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:016_013_013_046 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:019_013_013_046 @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:020_013_013_020 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @dihedral:020_013_013_046 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:021_013_013_021 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d021*_i* @dihedral:021_013_013_044 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:021_013_013_046 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:044_013_013_044 @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @dihedral:044_013_013_046 @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:044_013_013_048 @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @dihedral:024_013_013_046 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:024_013_013_048 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @dihedral:024_013_013_080 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @dihedral:046_013_013_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_013_013_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_013_013_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_013_013_051 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d051*_i* @dihedral:046_013_013_053 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:046_013_013_055 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @dihedral:046_013_013_059 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d059*_i* @dihedral:046_013_013_062 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d062*_i* @dihedral:046_013_013_065 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d065*_i* @dihedral:046_013_013_066 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d066*_i* @dihedral:046_013_013_079 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @dihedral:046_013_013_080 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @dihedral:046_013_013_082 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d082*_i* @dihedral:046_013_013_083 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d083*_i* @dihedral:046_013_013_084 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @dihedral:046_013_013_087 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d087*_i* @dihedral:046_013_013_088 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d088*_i* @dihedral:046_013_013_102 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d102*_i* @dihedral:046_013_013_104 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d104*_i* @dihedral:046_013_013_107 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @dihedral:046_013_013_108 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @dihedral:046_013_013_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @dihedral:048_013_013_053 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:108_013_013_108 @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @dihedral:013_013_015_017 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d015*_i* @atom:*_b*_a*_d017*_i* @dihedral:046_013_015_017 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d015*_i* @atom:*_b*_a*_d017*_i* @dihedral:013_013_016_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_016_016 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d016*_i* @dihedral:046_013_016_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_016_016 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d016*_i* @dihedral:046_013_016_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_013_018_019 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d019*_i* @dihedral:046_013_018_019 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d019*_i* @dihedral:X_013_019_018 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d018*_i* @dihedral:X_013_019_019 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @dihedral:013_013_019_019 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @dihedral:046_013_019_019 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @dihedral:X_013_020_013 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:056_013_020_013 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:057_013_020_013 @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_020_003 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @dihedral:013_013_020_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_020_064 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d064*_i* @dihedral:046_013_020_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:* @dihedral:046_013_020_003 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d003*_i* @dihedral:046_013_020_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_013_020_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_013_020_051 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d051*_i* @dihedral:046_013_020_064 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d064*_i* @dihedral:X_013_024_045 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:003_013_024_003 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @dihedral:003_013_024_013 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:003_013_024_045 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_013_024_003 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @dihedral:013_013_024_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_024_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_013_024_059 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d059*_i* @dihedral:013_013_024_079 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d079*_i* @dihedral:013_013_024_091 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @dihedral:046_013_024_003 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @dihedral:046_013_024_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_024_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_024_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_013_024_079 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d079*_i* @dihedral:048_013_024_059 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d059*_i* @dihedral:013_013_044_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_044_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_044_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_044_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_044_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_013_047_013 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:X_013_047_046 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:X_013_047_047 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:X_013_047_050 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @dihedral:001_013_047_047 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_013_047_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_047_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_013_047_050 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @dihedral:046_013_047_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_047_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_013_047_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_013_047_050 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @dihedral:046_013_047_110 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d110*_i* @dihedral:047_013_047_013 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:047_013_047_046 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:X_013_048_048 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:001_013_048_048 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_013_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_013_048_056 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @dihedral:021_013_048_048 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_013_048_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:064_013_048_048 @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:065_013_048_048 @atom:*_b*_a*_d065*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_013_050_047 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_013_050_050 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @dihedral:046_013_050_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_013_050_050 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @dihedral:046_013_050_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @dihedral:013_013_051_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d051*_i* @atom:* @dihedral:013_013_051_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_013_051_020 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d020*_i* @dihedral:013_013_053_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_053_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_053_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_053_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_053_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_013_053_054 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d054*_i* @dihedral:013_013_055_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_013_055_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_013_055_054 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d054*_i* @dihedral:046_013_055_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_055_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_055_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_013_056_018 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d018*_i* @dihedral:X_013_057_X @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:* @dihedral:013_013_057_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:* @dihedral:013_013_057_062 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d062*_i* @dihedral:013_013_057_082 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d082*_i* @dihedral:020_013_057_X @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:* @dihedral:020_013_057_062 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d062*_i* @dihedral:020_013_057_082 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d082*_i* @dihedral:013_013_059_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d059*_i* @atom:* @dihedral:013_013_059_056 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d056*_i* @dihedral:046_013_059_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d059*_i* @atom:* @dihedral:013_013_062_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d062*_i* @atom:* @dihedral:046_013_062_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d062*_i* @atom:* @dihedral:046_013_064_020 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d020*_i* @dihedral:046_013_064_052 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d052*_i* @dihedral:048_013_064_020 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d020*_i* @dihedral:048_013_064_052 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d052*_i* @dihedral:X_013_079_023 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d023*_i* @dihedral:X_013_079_024 @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d024*_i* @dihedral:013_013_079_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_079_023 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d023*_i* @dihedral:046_013_079_005 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d005*_i* @dihedral:046_013_079_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_079_023 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d023*_i* @dihedral:046_013_079_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_013_080_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @atom:* @dihedral:013_013_080_060 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @atom:*_b*_a*_d060*_i* @dihedral:013_013_080_084 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @atom:*_b*_a*_d084*_i* @dihedral:046_013_080_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @atom:* @dihedral:046_013_080_060 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @atom:*_b*_a*_d060*_i* @dihedral:046_013_080_084 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d080*_i* @atom:*_b*_a*_d084*_i* @dihedral:013_013_082_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:046_013_082_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:013_013_083_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d083*_i* @atom:* @dihedral:046_013_083_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d083*_i* @atom:* @dihedral:001_013_084_X @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:013_013_084_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:013_013_084_057 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d057*_i* @dihedral:021_013_084_X @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:046_013_084_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:001_013_087_X @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:013_013_087_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:021_013_087_X @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:046_013_087_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:013_013_088_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:046_013_088_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:X_013_090_X @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d090*_i* @atom:* @dihedral:046_013_090_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d090*_i* @atom:* @dihedral:046_013_091_091 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:013_013_095_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d095*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_095_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d095*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_013_102_103 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d102*_i* @atom:*_b*_a*_d103*_i* @dihedral:046_013_102_103 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d102*_i* @atom:*_b*_a*_d103*_i* @dihedral:013_013_104_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d104*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_104_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d104*_i* @atom:*_b*_a*_d013*_i* @dihedral:X_013_105_X @atom:* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:* @dihedral:013_013_105_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:* @dihedral:013_013_105_062 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:*_b*_a*_d062*_i* @dihedral:013_013_105_082 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:*_b*_a*_d082*_i* @dihedral:020_013_105_X @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:* @dihedral:020_013_105_062 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:*_b*_a*_d062*_i* @dihedral:020_013_105_082 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d105*_i* @atom:*_b*_a*_d082*_i* @dihedral:003_013_107_013 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_107_003 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d003*_i* @dihedral:013_013_107_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_107_003 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d003*_i* @dihedral:046_013_107_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_107_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d107*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_013_108_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_013_108_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d045*_i* @dihedral:046_013_108_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_108_020 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d020*_i* @dihedral:046_013_108_045 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_013_109_109 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:046_013_109_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_013_109_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_013_109_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:017_015_048_X @atom:*_b*_a*_d017*_i* @atom:*_b*_a*_d015*_i* @atom:*_b*_a*_d048*_i* @atom:* @dihedral:017_015_048_048 @atom:*_b*_a*_d017*_i* @atom:*_b*_a*_d015*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_016_016_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_016_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_016_048_056 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @dihedral:013_016_059_056 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d056*_i* @dihedral:084_016_082_X @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:084_016_082_061 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:082_016_084_049 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:082_016_084_083 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d083*_i* @dihedral:082_016_084_088 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @dihedral:X_016_091_X @atom:* @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d091*_i* @atom:* @dihedral:019_018_048_X @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d048*_i* @atom:* @dihedral:019_018_048_048 @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:018_018_056_013 @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d013*_i* @dihedral:018_018_056_046 @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d018*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d046*_i* @dihedral:X_019_019_X @atom:* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:* @dihedral:013_019_019_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_019_019_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_019_019_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_019_019_109 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d109*_i* @dihedral:046_019_019_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_019_019_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d109*_i* @dihedral:019_019_047_013 @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:019_019_047_046 @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:019_019_047_047 @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_020_044_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_020_044_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_020_047_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_020_047_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_020_047_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_020_047_050 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @dihedral:003_020_048_048 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_020_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_020_048_056 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @dihedral:064_020_048_048 @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_020_051_005 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d005*_i* @dihedral:013_020_051_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_020_051_020 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d020*_i* @dihedral:013_020_051_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d051*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_020_056_003 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d003*_i* @dihedral:013_020_059_056 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d056*_i* @dihedral:X_020_064_052 @atom:* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d052*_i* @dihedral:013_020_064_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_020_064_052 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d052*_i* @dihedral:048_020_064_004 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d064*_i* @atom:*_b*_a*_d004*_i* @dihedral:084_020_082_061 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:082_020_084_088 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @dihedral:084_020_084_049 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:084_020_084_087 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d087*_i* @dihedral:108_020_108_013 @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d013*_i* @dihedral:108_020_108_020 @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d108*_i* @atom:*_b*_a*_d020*_i* @dihedral:X_024_048_048 @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:003_024_048_048 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_024_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:045_024_048_048 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:059_024_048_048 @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:082_024_048_048 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:084_024_048_048 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_024_059_X @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d059*_i* @atom:* @dihedral:X_024_059_049 @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d049*_i* @dihedral:045_024_059_X @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d059*_i* @atom:* @dihedral:X_024_060_X @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:X_024_079_023 @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d023*_i* @dihedral:013_024_079_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d048*_i* @dihedral:045_024_079_048 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_024_082_061 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:045_024_082_016 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @dihedral:045_024_082_020 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d020*_i* @dihedral:045_024_082_061 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:048_024_082_016 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @dihedral:048_024_082_020 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d020*_i* @dihedral:048_024_082_061 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:X_024_084_X @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:003_024_084_084 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d084*_i* @dihedral:045_024_084_016 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d016*_i* @dihedral:045_024_084_020 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @dihedral:048_024_084_016 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d016*_i* @dihedral:048_024_084_020 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @dihedral:003_024_086_048 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:003_024_086_056 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d056*_i* @dihedral:003_024_086_086 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @dihedral:047_024_086_048 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:047_024_086_056 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d056*_i* @dihedral:X_024_087_X @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:X_024_088_X @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:003_024_091_046 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:003_024_091_089 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d089*_i* @dihedral:003_024_091_091 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:045_024_091_046 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:045_024_091_089 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d089*_i* @dihedral:045_024_091_091 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:X_024_106_X @atom:* @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d106*_i* @atom:* @dihedral:013_044_044_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_044_044_045 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d045*_i* @dihedral:045_044_044_045 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d045*_i* @dihedral:013_044_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:045_044_048_048 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:059_044_048_048 @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:082_044_048_048 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:084_044_048_048 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:045_044_082_016 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @dihedral:045_044_082_061 @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:048_044_082_016 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @dihedral:048_044_082_061 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:047_046_047_013 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:047_046_047_046 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:X_047_047_X @atom:* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:* @dihedral:X_047_047_019 @atom:* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d019*_i* @dihedral:003_047_047_024 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d024*_i* @dihedral:003_047_047_046 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:005_047_047_013 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:005_047_047_046 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_047_047_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_047_047_019 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d019*_i* @dihedral:013_047_047_020 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d020*_i* @dihedral:013_047_047_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:019_047_047_046 @atom:*_b*_a*_d019*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:020_047_047_046 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:021_047_047_021 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d021*_i* @dihedral:021_047_047_046 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_047_047_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_047_047_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_047_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_047_048_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_047_048_056 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @dihedral:047_047_048_048 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_047_050_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_047_050_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_047_050_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_047_050_050 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @dihedral:013_047_050_109 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @dihedral:024_047_050_003 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d003*_i* @dihedral:046_047_050_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_047_050_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_047_050_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_047_050_050 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @dihedral:046_047_050_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @dihedral:X_047_084_X @atom:* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:X_047_086_048 @atom:* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:003_047_086_086 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @dihedral:049_047_086_X @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d086*_i* @atom:* @dihedral:049_047_086_024 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d024*_i* @dihedral:X_047_087_X @atom:* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:X_047_088_X @atom:* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:013_047_110_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d110*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_047_110_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d110*_i* @atom:*_b*_a*_d047*_i* @dihedral:X_048_048_X @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:* @dihedral:X_048_048_013 @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d013*_i* @dihedral:X_048_048_048 @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_048_048_049 @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:001_048_048_048 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:001_048_048_049 @atom:*_b*_a*_d001*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:013_048_048_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_048_048_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_048_048_049 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:013_048_048_050 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @dihedral:021_048_048_048 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:021_048_048_049 @atom:*_b*_a*_d021*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:044_048_048_049 @atom:*_b*_a*_d044*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:047_048_048_049 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:048_048_048_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_048_048_049 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:048_048_048_050 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @dihedral:048_048_048_055 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @dihedral:048_048_048_060 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d060*_i* @dihedral:048_048_048_065 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d065*_i* @dihedral:048_048_048_066 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d066*_i* @dihedral:048_048_048_086 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @dihedral:048_048_048_109 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @dihedral:049_048_048_049 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d049*_i* @dihedral:049_048_048_050 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @dihedral:049_048_048_060 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d060*_i* @dihedral:049_048_048_065 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d065*_i* @dihedral:049_048_048_066 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d066*_i* @dihedral:049_048_048_086 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @dihedral:049_048_048_109 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @dihedral:056_048_048_086 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @dihedral:048_048_050_046 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d046*_i* @dihedral:048_048_050_047 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:056_048_050_046 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d046*_i* @dihedral:056_048_050_047 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:048_048_053_013 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @dihedral:048_048_053_054 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d054*_i* @dihedral:X_048_055_045 @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d045*_i* @dihedral:048_048_055_045 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d045*_i* @dihedral:055_048_055_013 @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d013*_i* @dihedral:055_048_055_045 @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d045*_i* @dihedral:060_048_055_045 @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d045*_i* @dihedral:X_048_056_X @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @atom:* @dihedral:048_048_056_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @dihedral:049_048_056_048 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_048_060_X @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:X_048_079_023 @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d023*_i* @dihedral:048_048_079_013 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d013*_i* @dihedral:048_048_079_024 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d079*_i* @atom:*_b*_a*_d024*_i* @dihedral:048_048_086_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_048_086_056 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d056*_i* @dihedral:048_048_086_086 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @dihedral:049_048_086_048 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:049_048_086_056 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d056*_i* @dihedral:049_048_086_086 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @dihedral:056_048_086_048 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:056_048_086_086 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @dihedral:049_048_088_049 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d049*_i* @dihedral:056_048_101_013 @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d101*_i* @atom:*_b*_a*_d013*_i* @dihedral:048_048_102_103 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d102*_i* @atom:*_b*_a*_d103*_i* @dihedral:048_048_109_013 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d013*_i* @dihedral:048_048_109_046 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d046*_i* @dihedral:048_048_109_109 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:X_050_050_049 @atom:* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d049*_i* @dihedral:003_050_050_003 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d003*_i* @dihedral:013_050_050_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_050_050_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_050_050_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:046_050_050_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_050_050_047 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:047_050_050_047 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d047*_i* @dihedral:013_050_109_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_050_109_109 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:046_050_109_013 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d013*_i* @dihedral:046_050_109_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_050_109_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:047_050_109_013 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d013*_i* @dihedral:047_050_109_046 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d046*_i* @dihedral:047_050_109_109 @atom:*_b*_a*_d047*_i* @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:013_053_082_061 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:048_053_082_061 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @dihedral:045_055_059_X @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d059*_i* @atom:* @dihedral:013_056_056_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_056_056_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_056_056_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_056_059_X @atom:* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d059*_i* @atom:* @dihedral:X_056_059_049 @atom:* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d059*_i* @atom:*_b*_a*_d049*_i* @dihedral:X_056_060_X @atom:* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:X_056_062_X @atom:* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d062*_i* @atom:* @dihedral:X_056_082_X @atom:* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:048_056_086_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_056_086_086 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @dihedral:X_057_060_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:045_057_060_X @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:X_057_061_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d061*_i* @atom:* @dihedral:X_057_062_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d062*_i* @atom:* @dihedral:X_057_081_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d081*_i* @atom:* @dihedral:X_057_082_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:X_057_082_049 @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d049*_i* @dihedral:045_057_082_X @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:X_057_084_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:045_057_084_X @atom:*_b*_a*_d045*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:061_057_086_048 @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:084_057_086_048 @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_060_060_X @atom:* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d060*_i* @atom:* @dihedral:X_060_061_X @atom:* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d061*_i* @atom:* @dihedral:X_060_080_X @atom:* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d080*_i* @atom:* @dihedral:X_060_081_X @atom:* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d081*_i* @atom:* @dihedral:X_060_087_X @atom:* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:048_060_087_084 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d084*_i* @dihedral:060_060_087_084 @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d060*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d084*_i* @dihedral:X_061_061_X @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d061*_i* @atom:* @dihedral:X_061_062_X @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d062*_i* @atom:* @dihedral:X_061_082_X @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d082*_i* @atom:* @dihedral:X_061_082_049 @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d049*_i* @dihedral:083_061_082_016 @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @dihedral:088_061_082_016 @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d016*_i* @dihedral:088_061_082_020 @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d020*_i* @dihedral:X_061_083_X @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:* @dihedral:082_061_083_049 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d049*_i* @dihedral:082_061_083_084 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @dihedral:X_061_084_X @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:X_061_088_X @atom:* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:082_061_088_084 @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d084*_i* @dihedral:X_080_084_X @atom:* @atom:*_b*_a*_d080*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:X_082_084_X @atom:* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:016_082_086_048 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:020_082_086_048 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:057_082_086_048 @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:061_082_086_048 @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_082_087_X @atom:* @atom:*_b*_a*_d082*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:X_083_084_X @atom:* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:X_083_084_049 @atom:* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:049_083_084_X @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:049_083_084_016 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d016*_i* @dihedral:049_083_084_049 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:061_083_084_016 @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d016*_i* @dihedral:061_083_084_020 @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d020*_i* @dihedral:061_083_084_049 @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:X_083_086_048 @atom:* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:061_083_086_048 @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:061_083_087_X @atom:*_b*_a*_d061*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:084_083_087_X @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d083*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:X_084_084_X @atom:* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d084*_i* @atom:* @dihedral:X_084_084_049 @atom:* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:016_084_084_049 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:049_084_084_049 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d049*_i* @dihedral:X_084_086_048 @atom:* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:016_084_086_048 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:020_084_086_048 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:057_084_086_048 @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:X_084_087_X @atom:* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:X_084_087_049 @atom:* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d049*_i* @dihedral:049_084_087_049 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d049*_i* @dihedral:X_084_088_049 @atom:* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d049*_i* @dihedral:016_084_088_049 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d049*_i* @dihedral:016_084_088_061 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d061*_i* @dihedral:020_084_088_061 @atom:*_b*_a*_d020*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d061*_i* @dihedral:049_084_088_X @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:049_084_088_061 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d084*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d061*_i* @dihedral:048_086_086_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_086_086_056 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d056*_i* @dihedral:048_086_087_X @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d087*_i* @atom:* @dihedral:048_086_088_X @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:048_086_088_061 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d088*_i* @atom:*_b*_a*_d061*_i* @dihedral:056_086_088_X @atom:*_b*_a*_d056*_i* @atom:*_b*_a*_d086*_i* @atom:*_b*_a*_d088*_i* @atom:* @dihedral:X_087_087_020 @atom:* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d020*_i* @dihedral:X_087_087_057 @atom:* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d057*_i* @dihedral:X_087_087_087 @atom:* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @dihedral:049_087_087_049 @atom:*_b*_a*_d049*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d087*_i* @atom:*_b*_a*_d049*_i* @dihedral:004_089_090_013 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d013*_i* @dihedral:004_089_090_045 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d045*_i* @dihedral:004_089_090_048 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d048*_i* @dihedral:004_089_090_091 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d091*_i* @dihedral:091_089_090_013 @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d013*_i* @dihedral:091_089_090_045 @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d045*_i* @dihedral:091_089_090_048 @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d048*_i* @dihedral:091_089_090_091 @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d091*_i* @dihedral:X_089_091_X @atom:* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d091*_i* @atom:* @dihedral:004_089_091_046 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:004_089_091_091 @atom:*_b*_a*_d004*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:090_089_091_046 @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:090_089_091_091 @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d089*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:X_090_091_X @atom:* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d091*_i* @atom:* @dihedral:X_090_091_046 @atom:* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:X_090_091_091 @atom:* @atom:*_b*_a*_d090*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:X_091_091_X @atom:* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:* @dihedral:X_091_091_024 @atom:* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d024*_i* @dihedral:013_091_091_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_091_091_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_091_091_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_091_091_091 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:091_091_091_091 @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @atom:*_b*_a*_d091*_i* @dihedral:X_109_109_X @atom:* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:* @dihedral:013_109_109_013 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d013*_i* @dihedral:013_109_109_046 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d046*_i* @dihedral:013_109_109_048 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d048*_i* @dihedral:013_109_109_050 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d050*_i* @dihedral:013_109_109_109 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:046_109_109_046 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d046*_i* @dihedral:046_109_109_048 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d048*_i* @dihedral:046_109_109_050 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d050*_i* @dihedral:046_109_109_109 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:048_109_109_048 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d048*_i* @dihedral:048_109_109_050 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d050*_i* @dihedral:048_109_109_109 @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:050_109_109_050 @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d050*_i* @dihedral:050_109_109_109 @atom:*_b*_a*_d050*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:109_109_109_109 @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @atom:*_b*_a*_d109*_i* @dihedral:024_003_013_053 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:052_003_013_024 @atom:*_b*_a*_d052*_i* @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d024*_i* @dihedral:003_013_013_053 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:003_013_013_083 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d083*_i* @dihedral:003_013_013_084 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @dihedral:003_013_013_085 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @dihedral:005_013_013_053 @atom:*_b*_a*_d005*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:015_013_013_053 @atom:*_b*_a*_d015*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:016_013_013_053 @atom:*_b*_a*_d016*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @dihedral:013_013_013_055 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @dihedral:024_013_013_083 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d083*_i* @dihedral:053_013_013_083 @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d083*_i* @dihedral:024_013_013_084 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @dihedral:053_013_013_084 @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d084*_i* @dihedral:024_013_013_085 @atom:*_b*_a*_d024*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @dihedral:046_013_013_085 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @dihedral:053_013_013_085 @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @dihedral:003_013_053_013 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d013*_i* @dihedral:003_013_053_054 @atom:*_b*_a*_d003*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d054*_i* @dihedral:013_013_053_054 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d053*_i* @atom:*_b*_a*_d054*_i* @dihedral:046_013_055_054 @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d054*_i* @dihedral:013_013_085_X @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @atom:* @dihedral:013_013_085_057 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @atom:*_b*_a*_d057*_i* @dihedral:046_013_085_X @atom:*_b*_a*_d046*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d085*_i* @atom:* @dihedral:055_048_055_054 @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d055*_i* @atom:*_b*_a*_d054*_i* @dihedral:X_048_081_X @atom:* @atom:*_b*_a*_d048*_i* @atom:*_b*_a*_d081*_i* @atom:* @dihedral:X_057_085_X @atom:* @atom:*_b*_a*_d057*_i* @atom:*_b*_a*_d085*_i* @atom:* @dihedral:X_085_085_X @atom:* @atom:*_b*_a*_d085*_i* @atom:*_b*_a*_d085*_i* @atom:* @dihedral:013_013_013_020 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d020*_i* @dihedral:013_013_013_047 @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d013*_i* @atom:*_b*_a*_d047*_i* } #(end of dihedrals by type) # ---------- Improper Interactions: ---------- # http://lammps.sandia.gov/doc/improper_harmonic.html # Syntax: # improper_coeff ImproperTypeName parameters write_once("In Settings") { # The following force field parameters were converted from # the tinker parameter file (oplsaa.prm) and then edited by hand: # Thanks to David Huang (adelaide.edu.au) for the corrections: improper_coeff @improper:X_X_003_004 10.5 180.0 # (moltemplate) # <==> "imptors 0 0 3 4 21.000 180.0 2" in oplsaa.prm (tinker) # <==> "define improper_O_C_X_Y 180.0 43.93200 2" in oplsaa.ff (gromacs) improper_coeff @improper:X_X_003_052 10.5 180.0 # (moltemplate) # <==> "imptors 0 0 3 52 21.000 180.0 2" in oplsaa.prm (tinker) # <==> "define improper_O_C_X_Y 180.0 43.93200 2" in oplsaa.ff (gromacs) improper_coeff @improper:X_X_024_X 1.0 180.0 # (moltemplate) # <==> "imptors 0 0 24 0 5.000 180.0 2" in oplsaa.prm (tinker) - INCORRECT? # <==> "define improper_Z_N_X_Y 180.0 4.18400 2" in oplsaa.ff (gromacs) improper_coeff @improper:X_X_047_X 15.0 180.0 # (moltemplate) # <==> "imptors 0 0 47 0 30.000 180.0 2" in oplsaa.prm (tinker) # <==> "define improper_Z_CM_X_Y 180.0 62.76000 2" in oplsaa.ff (gromacs) improper_coeff @improper:X_X_048_X 1.1 180.0 # (moltemplate) # <==> "imptors 0 0 48 0 5.000 180.0 2" in oplsaa.prm (tinker) - INCORRECT? # <==> "define improper_Z_CA_X_Y 180.0 4.60240 2" in oplsaa.ff (gromacs) improper_coeff @improper:055_055_X_055 10.5 180.0 # <==> "define improper_N2_X_N2_N2 180.0 43.93200" in oplsaa.ff (gromacs) # <==> no corresponding line found in oplsaa.prm (tinker) # --- As of 2017-9-13, I am unsure if I should add this rule: ---- # The gromacs file for oplsaa include the following line: # "define improper_X_NO_ON_NO 180.0 43.93200" in oplsaa.ff (gromacs) # but there is no corresponding line found in oplsaa.prm (tinker) # and there is no corresponding line from opls-a.prm (emc (BASF)) # I'm not sure what the "NO" and "ON" correspond to. If I had to guess, # the corresponding moltemplate line might be one of these two choices: # improper_coeff @improper:X_103_102_102 10.5 180.0 ? # improper_coeff @improper:X_102_103_103 10.5 180.0 ? # but I'd prefer to leave this out. } #(end of improper_coeffs) # Rules for creating improper interactions according to atom type: # ImproperTypeName AtomType1 AtomType2 AtomType3 AtomType4 # (* = wildcard) write_once("Data Impropers By Type (opls_imp.py)") { @improper:X_X_003_004 @atom:* @atom:* @atom:*_b*_a*_d*_i003* @atom:*_b*_a*_d*_i004* @improper:X_X_003_052 @atom:* @atom:* @atom:*_b*_a*_d*_i003* @atom:*_b*_a*_d*_i052* @improper:X_X_024_X @atom:* @atom:* @atom:*_b*_a*_d*_i024* @atom:* @improper:X_X_047_X @atom:* @atom:* @atom:*_b*_a*_d*_i047* @atom:* @improper:X_X_048_X @atom:* @atom:* @atom:*_b*_a*_d*_i048* @atom:* @improper:055_055_X_055 @atom:*_b*_a*_d*_i055 @atom:*_b*_a*_d*_i055 @atom:* @atom:*_b*_a*_d*_i055 } #(end of impropers by type) # -------- (descriptive comment) -------- # ---- biologically relevant atom types: ---- # biotype 1 N "Glycine" 180 # biotype 2 CA "Glycine" 165 # biotype 3 C "Glycine" 177 # biotype 4 HN "Glycine" 183 # biotype 5 O "Glycine" 178 # biotype 6 HA "Glycine" 85 # biotype 7 N "Alanine" 180 # biotype 8 CA "Alanine" 166 # biotype 9 C "Alanine" 177 # biotype 10 HN "Alanine" 183 # biotype 11 O "Alanine" 178 # biotype 12 HA "Alanine" 85 # biotype 13 CB "Alanine" 80 # biotype 14 HB "Alanine" 85 # biotype 15 N "Valine" 180 # biotype 16 CA "Valine" 166 # biotype 17 C "Valine" 177 # biotype 18 HN "Valine" 183 # biotype 19 O "Valine" 178 # biotype 20 HA "Valine" 85 # biotype 21 CB "Valine" 82 # biotype 22 HB "Valine" 85 # biotype 23 CG1 "Valine" 80 # biotype 24 HG1 "Valine" 85 # biotype 25 CG2 "Valine" 80 # biotype 26 HG2 "Valine" 85 # biotype 27 N "Leucine" 180 # biotype 28 CA "Leucine" 166 # biotype 29 C "Leucine" 177 # biotype 30 HN "Leucine" 183 # biotype 31 O "Leucine" 178 # biotype 32 HA "Leucine" 85 # biotype 33 CB "Leucine" 81 # biotype 34 HB "Leucine" 85 # biotype 35 CG "Leucine" 82 # biotype 36 HG "Leucine" 85 # biotype 37 CD1 "Leucine" 80 # biotype 38 HD1 "Leucine" 85 # biotype 39 CD2 "Leucine" 80 # biotype 40 HD2 "Leucine" 85 # biotype 41 N "Isoleucine" 180 # biotype 42 CA "Isoleucine" 166 # biotype 43 C "Isoleucine" 177 # biotype 44 HN "Isoleucine" 183 # biotype 45 O "Isoleucine" 178 # biotype 46 HA "Isoleucine" 85 # biotype 47 CB "Isoleucine" 82 # biotype 48 HB "Isoleucine" 85 # biotype 49 CG1 "Isoleucine" 81 # biotype 50 HG1 "Isoleucine" 85 # biotype 51 CG2 "Isoleucine" 80 # biotype 52 HG2 "Isoleucine" 85 # biotype 53 CD "Isoleucine" 80 # biotype 54 HD "Isoleucine" 85 # biotype 55 N "Serine" 180 # biotype 56 CA "Serine" 166 # biotype 57 C "Serine" 177 # biotype 58 HN "Serine" 183 # biotype 59 O "Serine" 178 # biotype 60 HA "Serine" 85 # biotype 61 CB "Serine" 99 # biotype 62 HB "Serine" 85 # biotype 63 OG "Serine" 96 # biotype 64 HG "Serine" 97 # biotype 65 N "Threonine" 180 # biotype 66 CA "Threonine" 166 # biotype 67 C "Threonine" 177 # biotype 68 HN "Threonine" 183 # biotype 69 O "Threonine" 178 # biotype 70 HA "Threonine" 85 # biotype 71 CB "Threonine" 100 # biotype 72 HB "Threonine" 85 # biotype 73 OG1 "Threonine" 96 # biotype 74 HG1 "Threonine" 97 # biotype 75 CG2 "Threonine" 80 # biotype 76 HG2 "Threonine" 85 # biotype 77 N "Cysteine (SH)" 180 # biotype 78 CA "Cysteine (SH)" 166 # biotype 79 C "Cysteine (SH)" 177 # biotype 80 HN "Cysteine (SH)" 183 # biotype 81 O "Cysteine (SH)" 178 # biotype 82 HA "Cysteine (SH)" 85 # biotype 83 CB "Cysteine (SH)" 148 # biotype 84 HB "Cysteine (SH)" 85 # biotype 85 SG "Cysteine (SH)" 142 # biotype 86 HG "Cysteine (SH)" 146 # biotype 87 N "Cystine (SS)" 180 # biotype 88 CA "Cystine (SS)" 166 # biotype 89 C "Cystine (SS)" 177 # biotype 90 HN "Cystine (SS)" 183 # biotype 91 O "Cystine (SS)" 178 # biotype 92 HA "Cystine (SS)" 85 # biotype 93 CB "Cystine (SS)" 156 # biotype 94 HB "Cystine (SS)" 85 # biotype 95 SG "Cystine (SS)" 145 # biotype 96 N "Cysteine (S-)" -1 # biotype 97 CA "Cysteine (S-)" -1 # biotype 98 C "Cysteine (S-)" -1 # biotype 99 HN "Cysteine (S-)" -1 # biotype 100 O "Cysteine (S-)" -1 # biotype 101 HA "Cysteine (S-)" -1 # biotype 102 CB "Cysteine (S-)" -1 # biotype 103 HB "Cysteine (S-)" -1 # biotype 104 SG "Cysteine (S-)" -1 # biotype 105 N "Proline" 181 # biotype 106 CA "Proline" 188 # biotype 107 C "Proline" 177 # biotype 108 O "Proline" 178 # biotype 109 HA "Proline" 85 # biotype 110 CB "Proline" 81 # biotype 111 HB "Proline" 85 # biotype 112 CG "Proline" 81 # biotype 113 HG "Proline" 85 # biotype 114 CD "Proline" 187 # biotype 115 HD "Proline" 85 # biotype 116 N "Phenylalanine" 180 # biotype 117 CA "Phenylalanine" 166 # biotype 118 C "Phenylalanine" 177 # biotype 119 HN "Phenylalanine" 183 # biotype 120 O "Phenylalanine" 178 # biotype 121 HA "Phenylalanine" 85 # biotype 122 CB "Phenylalanine" 94 # biotype 123 HB "Phenylalanine" 85 # biotype 124 CG "Phenylalanine" 90 # biotype 125 CD "Phenylalanine" 90 # biotype 126 HD "Phenylalanine" 91 # biotype 127 CE "Phenylalanine" 90 # biotype 128 HE "Phenylalanine" 91 # biotype 129 CZ "Phenylalanine" 90 # biotype 130 HZ "Phenylalanine" 91 # biotype 131 N "Tyrosine" 180 # biotype 132 CA "Tyrosine" 166 # biotype 133 C "Tyrosine" 177 # biotype 134 HN "Tyrosine" 183 # biotype 135 O "Tyrosine" 178 # biotype 136 HA "Tyrosine" 85 # biotype 137 CB "Tyrosine" 94 # biotype 138 HB "Tyrosine" 85 # biotype 139 CG "Tyrosine" 90 # biotype 140 CD "Tyrosine" 90 # biotype 141 HD "Tyrosine" 91 # biotype 142 CE "Tyrosine" 90 # biotype 143 HE "Tyrosine" 91 # biotype 144 CZ "Tyrosine" 108 # biotype 145 OH "Tyrosine" 109 # biotype 146 HH "Tyrosine" 110 # biotype 147 N "Tyrosine (O-)" -1 # biotype 148 CA "Tyrosine (O-)" -1 # biotype 149 C "Tyrosine (O-)" -1 # biotype 150 HN "Tyrosine (O-)" -1 # biotype 151 O "Tyrosine (O-)" -1 # biotype 152 HA "Tyrosine (O-)" -1 # biotype 153 CB "Tyrosine (O-)" -1 # biotype 154 HB "Tyrosine (O-)" -1 # biotype 155 CG "Tyrosine (O-)" -1 # biotype 156 CD "Tyrosine (O-)" -1 # biotype 157 HD "Tyrosine (O-)" -1 # biotype 158 CE "Tyrosine (O-)" -1 # biotype 159 HE "Tyrosine (O-)" -1 # biotype 160 CZ "Tyrosine (O-)" -1 # biotype 161 OH "Tyrosine (O-)" -1 # biotype 162 N "Tryptophan" 180 # biotype 163 CA "Tryptophan" 166 # biotype 164 C "Tryptophan" 177 # biotype 165 HN "Tryptophan" 183 # biotype 166 O "Tryptophan" 178 # biotype 167 HA "Tryptophan" 85 # biotype 168 CB "Tryptophan" 81 # biotype 169 HB "Tryptophan" 85 # biotype 170 CG "Tryptophan" 441 # biotype 171 CD1 "Tryptophan" 455 # biotype 172 HD1 "Tryptophan" 91 # biotype 173 CD2 "Tryptophan" 442 # biotype 174 NE1 "Tryptophan" 444 # biotype 175 HE1 "Tryptophan" 445 # biotype 176 CE2 "Tryptophan" 443 # biotype 177 CE3 "Tryptophan" 90 # biotype 178 HE3 "Tryptophan" 91 # biotype 179 CZ2 "Tryptophan" 90 # biotype 180 HZ2 "Tryptophan" 91 # biotype 181 CZ3 "Tryptophan" 90 # biotype 182 HZ3 "Tryptophan" 91 # biotype 183 CH2 "Tryptophan" 90 # biotype 184 HH2 "Tryptophan" 91 # biotype 185 N "Histidine (+)" 180 # biotype 186 CA "Histidine (+)" 166 # biotype 187 C "Histidine (+)" 177 # biotype 188 HN "Histidine (+)" 183 # biotype 189 O "Histidine (+)" 178 # biotype 190 HA "Histidine (+)" 85 # biotype 191 CB "Histidine (+)" 446 # biotype 192 HB "Histidine (+)" 85 # biotype 193 CG "Histidine (+)" 451 # biotype 194 ND1 "Histidine (+)" 453 # biotype 195 HD1 "Histidine (+)" 454 # biotype 196 CD2 "Histidine (+)" 451 # biotype 197 HD2 "Histidine (+)" 91 # biotype 198 CE1 "Histidine (+)" 450 # biotype 199 HE1 "Histidine (+)" 91 # biotype 200 NE2 "Histidine (+)" 453 # biotype 201 HE2 "Histidine (+)" 454 # biotype 202 N "Histidine (HD)" 180 # biotype 203 CA "Histidine (HD)" 166 # biotype 204 C "Histidine (HD)" 177 # biotype 205 HN "Histidine (HD)" 183 # biotype 206 O "Histidine (HD)" 178 # biotype 207 HA "Histidine (HD)" 85 # biotype 208 CB "Histidine (HD)" 446 # biotype 209 HB "Histidine (HD)" 85 # biotype 210 CG "Histidine (HD)" 449 # biotype 211 ND1 "Histidine (HD)" 444 # biotype 212 HD1 "Histidine (HD)" 445 # biotype 213 CD2 "Histidine (HD)" 448 # biotype 214 HD2 "Histidine (HD)" 91 # biotype 215 CE1 "Histidine (HD)" 447 # biotype 216 HE1 "Histidine (HD)" 91 # biotype 217 NE2 "Histidine (HD)" 452 # biotype 218 N "Histidine (HE)" 180 # biotype 219 CA "Histidine (HE)" 166 # biotype 220 C "Histidine (HE)" 177 # biotype 221 HN "Histidine (HE)" 183 # biotype 222 O "Histidine (HE)" 178 # biotype 223 HA "Histidine (HE)" 85 # biotype 224 CB "Histidine (HE)" 446 # biotype 225 HB "Histidine (HE)" 85 # biotype 226 CG "Histidine (HE)" 448 # biotype 227 ND1 "Histidine (HE)" 452 # biotype 228 CD2 "Histidine (HE)" 449 # biotype 229 HD2 "Histidine (HE)" 91 # biotype 230 CE1 "Histidine (HE)" 447 # biotype 231 HE1 "Histidine (HE)" 91 # biotype 232 NE2 "Histidine (HE)" 444 # biotype 233 HE2 "Histidine (HE)" 445 # biotype 234 N "Aspartic Acid" 180 # biotype 235 CA "Aspartic Acid" 166 # biotype 236 C "Aspartic Acid" 177 # biotype 237 HN "Aspartic Acid" 183 # biotype 238 O "Aspartic Acid" 178 # biotype 239 HA "Aspartic Acid" 85 # biotype 240 CB "Aspartic Acid" 216 # biotype 241 HB "Aspartic Acid" 85 # biotype 242 CG "Aspartic Acid" 213 # biotype 243 OD "Aspartic Acid" 214 # biotype 244 N "Aspartic Acid (COOH)" -1 # biotype 245 CA "Aspartic Acid (COOH)" -1 # biotype 246 C "Aspartic Acid (COOH)" -1 # biotype 247 HN "Aspartic Acid (COOH)" -1 # biotype 248 O "Aspartic Acid (COOH)" -1 # biotype 249 HA "Aspartic Acid (COOH)" -1 # biotype 250 CB "Aspartic Acid (COOH)" -1 # biotype 251 HB "Aspartic Acid (COOH)" -1 # biotype 252 CG "Aspartic Acid (COOH)" -1 # biotype 253 OD1 "Aspartic Acid (COOH)" -1 # biotype 254 OD2 "Aspartic Acid (COOH)" -1 # biotype 255 HD2 "Aspartic Acid (COOH)" -1 # biotype 256 N "Asparagine" 180 # biotype 257 CA "Asparagine" 166 # biotype 258 C "Asparagine" 177 # biotype 259 HN "Asparagine" 183 # biotype 260 O "Asparagine" 178 # biotype 261 HA "Asparagine" 85 # biotype 262 CB "Asparagine" 81 # biotype 263 HB "Asparagine" 85 # biotype 264 CG "Asparagine" 177 # biotype 265 OD1 "Asparagine" 178 # biotype 266 ND2 "Asparagine" 179 # biotype 267 HD2 "Asparagine" 182 # biotype 268 N "Glutamic Acid" 180 # biotype 269 CA "Glutamic Acid" 166 # biotype 270 C "Glutamic Acid" 177 # biotype 271 HN "Glutamic Acid" 183 # biotype 272 O "Glutamic Acid" 178 # biotype 273 HA "Glutamic Acid" 85 # biotype 274 CB "Glutamic Acid" 81 # biotype 275 HB "Glutamic Acid" 85 # biotype 276 CG "Glutamic Acid" 216 # biotype 277 HG "Glutamic Acid" 85 # biotype 278 CD "Glutamic Acid" 213 # biotype 279 OE "Glutamic Acid" 214 # biotype 280 N "Glutamic Acid (COOH)" -1 # biotype 281 CA "Glutamic Acid (COOH)" -1 # biotype 282 C "Glutamic Acid (COOH)" -1 # biotype 283 HN "Glutamic Acid (COOH)" -1 # biotype 284 O "Glutamic Acid (COOH)" -1 # biotype 285 HA "Glutamic Acid (COOH)" -1 # biotype 286 CB "Glutamic Acid (COOH)" -1 # biotype 287 HB "Glutamic Acid (COOH)" -1 # biotype 288 CG "Glutamic Acid (COOH)" -1 # biotype 289 HG "Glutamic Acid (COOH)" -1 # biotype 290 CD "Glutamic Acid (COOH)" -1 # biotype 291 OE1 "Glutamic Acid (COOH)" -1 # biotype 292 OE2 "Glutamic Acid (COOH)" -1 # biotype 293 HE2 "Glutamic Acid (COOH)" -1 # biotype 294 N "Glutamine" 180 # biotype 295 CA "Glutamine" 166 # biotype 296 C "Glutamine" 177 # biotype 297 HN "Glutamine" 183 # biotype 298 O "Glutamine" 178 # biotype 299 HA "Glutamine" 85 # biotype 300 CB "Glutamine" 81 # biotype 301 HB "Glutamine" 85 # biotype 302 CG "Glutamine" 81 # biotype 303 HG "Glutamine" 85 # biotype 304 CD "Glutamine" 177 # biotype 305 OE1 "Glutamine" 178 # biotype 306 NE2 "Glutamine" 179 # biotype 307 HE2 "Glutamine" 182 # biotype 308 N "Methionine" 180 # biotype 309 CA "Methionine" 166 # biotype 310 C "Methionine" 177 # biotype 311 HN "Methionine" 183 # biotype 312 O "Methionine" 178 # biotype 313 HA "Methionine" 85 # biotype 314 CB "Methionine" 81 # biotype 315 HB "Methionine" 85 # biotype 316 CG "Methionine" 152 # biotype 317 HG "Methionine" 85 # biotype 318 SD "Methionine" 144 # biotype 319 CE "Methionine" 151 # biotype 320 HE "Methionine" 85 # biotype 321 N "Lysine" 180 # biotype 322 CA "Lysine" 166 # biotype 323 C "Lysine" 177 # biotype 324 HN "Lysine" 183 # biotype 325 O "Lysine" 178 # biotype 326 HA "Lysine" 85 # biotype 327 CB "Lysine" 81 # biotype 328 HB "Lysine" 85 # biotype 329 CG "Lysine" 81 # biotype 330 HG "Lysine" 85 # biotype 331 CD "Lysine" 81 # biotype 332 HD "Lysine" 85 # biotype 333 CE "Lysine" 235 # biotype 334 HE "Lysine" 85 # biotype 335 NZ "Lysine" 230 # biotype 336 HZ "Lysine" 233 # biotype 337 N "Lysine (NH2)" -1 # biotype 338 CA "Lysine (NH2)" -1 # biotype 339 C "Lysine (NH2)" -1 # biotype 340 HN "Lysine (NH2)" -1 # biotype 341 O "Lysine (NH2)" -1 # biotype 342 HA "Lysine (NH2)" -1 # biotype 343 CB "Lysine (NH2)" -1 # biotype 344 HB "Lysine (NH2)" -1 # biotype 345 CG "Lysine (NH2)" -1 # biotype 346 HG "Lysine (NH2)" -1 # biotype 347 CD "Lysine (NH2)" -1 # biotype 348 HD "Lysine (NH2)" -1 # biotype 349 CE "Lysine (NH2)" -1 # biotype 350 HE "Lysine (NH2)" -1 # biotype 351 NZ "Lysine (NH2)" -1 # biotype 352 HZ "Lysine (NH2)" -1 # biotype 353 N "Arginine" 180 # biotype 354 CA "Arginine" 166 # biotype 355 C "Arginine" 177 # biotype 356 HN "Arginine" 183 # biotype 357 O "Arginine" 178 # biotype 358 HA "Arginine" 85 # biotype 359 CB "Arginine" 81 # biotype 360 HB "Arginine" 85 # biotype 361 CG "Arginine" 251 # biotype 362 HG "Arginine" 85 # biotype 363 CD "Arginine" 250 # biotype 364 HD "Arginine" 85 # biotype 365 NE "Arginine" 246 # biotype 366 HE "Arginine" 247 # biotype 367 CZ "Arginine" 245 # biotype 368 NH "Arginine" 243 # biotype 369 HH "Arginine" 244 # biotype 370 N "Ornithine" 180 # biotype 371 CA "Ornithine" 166 # biotype 372 C "Ornithine" 177 # biotype 373 HN "Ornithine" 183 # biotype 374 O "Ornithine" 178 # biotype 375 HA "Ornithine" 85 # biotype 376 CB "Ornithine" 81 # biotype 377 HB "Ornithine" 85 # biotype 378 CG "Ornithine" 81 # biotype 379 HG "Ornithine" 85 # biotype 380 CD "Ornithine" 235 # biotype 381 HD "Ornithine" 85 # biotype 382 NE "Ornithine" 230 # biotype 383 HE "Ornithine" 233 # biotype 384 N "MethylAlanine (AIB)" 180 # biotype 385 CA "MethylAlanine (AIB)" 167 # biotype 386 C "MethylAlanine (AIB)" 177 # biotype 387 HN "MethylAlanine (AIB)" 183 # biotype 388 O "MethylAlanine (AIB)" 178 # biotype 389 CB "MethylAlanine (AIB)" 80 # biotype 390 HB "MethylAlanine (AIB)" 85 # biotype 391 N "Pyroglutamic Acid" 180 # biotype 392 CA "Pyroglutamic Acid" 166 # biotype 393 C "Pyroglutamic Acid" 177 # biotype 394 HN "Pyroglutamic Acid" 183 # biotype 395 O "Pyroglutamic Acid" 178 # biotype 396 HA "Pyroglutamic Acid" 85 # biotype 397 CB "Pyroglutamic Acid" 81 # biotype 398 HB "Pyroglutamic Acid" 85 # biotype 399 CG "Pyroglutamic Acid" 216 # biotype 400 HG "Pyroglutamic Acid" 85 # biotype 401 CD "Pyroglutamic Acid" 177 # biotype 402 OE "Pyroglutamic Acid" 178 # biotype 403 N "N-Terminal GLY" 230 # biotype 404 CA "N-Terminal GLY" 235 # biotype 405 C "N-Terminal GLY" 177 # biotype 406 HN "N-Terminal GLY" 233 # biotype 407 O "N-Terminal GLY" 178 # biotype 408 HA "N-Terminal GLY" 85 # biotype 409 N "N-Terminal ALA" 230 # biotype 410 CA "N-Terminal ALA" 236 # biotype 411 C "N-Terminal ALA" 177 # biotype 412 HN "N-Terminal ALA" 233 # biotype 413 O "N-Terminal ALA" 178 # biotype 414 HA "N-Terminal ALA" 85 # biotype 415 N "N-Terminal VAL" 230 # biotype 416 CA "N-Terminal VAL" 236 # biotype 417 C "N-Terminal VAL" 177 # biotype 418 HN "N-Terminal VAL" 233 # biotype 419 O "N-Terminal VAL" 178 # biotype 420 HA "N-Terminal VAL" 85 # biotype 421 N "N-Terminal LEU" 230 # biotype 422 CA "N-Terminal LEU" 236 # biotype 423 C "N-Terminal LEU" 177 # biotype 424 HN "N-Terminal LEU" 233 # biotype 425 O "N-Terminal LEU" 178 # biotype 426 HA "N-Terminal LEU" 85 # biotype 427 N "N-Terminal ILE" 230 # biotype 428 CA "N-Terminal ILE" 236 # biotype 429 C "N-Terminal ILE" 177 # biotype 430 HN "N-Terminal ILE" 233 # biotype 431 O "N-Terminal ILE" 178 # biotype 432 HA "N-Terminal ILE" 85 # biotype 433 N "N-Terminal SER" 230 # biotype 434 CA "N-Terminal SER" 236 # biotype 435 C "N-Terminal SER" 177 # biotype 436 HN "N-Terminal SER" 233 # biotype 437 O "N-Terminal SER" 178 # biotype 438 HA "N-Terminal SER" 85 # biotype 439 N "N-Terminal THR" 230 # biotype 440 CA "N-Terminal THR" 236 # biotype 441 C "N-Terminal THR" 177 # biotype 442 HN "N-Terminal THR" 233 # biotype 443 O "N-Terminal THR" 178 # biotype 444 HA "N-Terminal THR" 85 # biotype 445 N "N-Terminal CYS (SH)" 230 # biotype 446 CA "N-Terminal CYS (SH)" 236 # biotype 447 C "N-Terminal CYS (SH)" 177 # biotype 448 HN "N-Terminal CYS (SH)" 233 # biotype 449 O "N-Terminal CYS (SH)" 178 # biotype 450 HA "N-Terminal CYS (SH)" 85 # biotype 451 N "N-Terminal CYX (SS)" 230 # biotype 452 CA "N-Terminal CYX (SS)" 236 # biotype 453 C "N-Terminal CYX (SS)" 177 # biotype 454 HN "N-Terminal CYX (SS)" 233 # biotype 455 O "N-Terminal CYX (SS)" 178 # biotype 456 HA "N-Terminal CYX (SS)" 85 # biotype 457 N "N-Terminal CYD (S-)" -1 # biotype 458 CA "N-Terminal CYD (S-)" -1 # biotype 459 C "N-Terminal CYD (S-)" -1 # biotype 460 HN "N-Terminal CYD (S-)" -1 # biotype 461 O "N-Terminal CYD (S-)" -1 # biotype 462 HA "N-Terminal CYD (S-)" -1 # biotype 463 N "N-Terminal PRO" 252 # biotype 464 CA "N-Terminal PRO" 238 # biotype 465 C "N-Terminal PRO" 177 # biotype 466 HN "N-Terminal PRO" 253 # biotype 467 O "N-Terminal PRO" 178 # biotype 468 HA "N-Terminal PRO" 85 # biotype 469 CD "N-Terminal PRO" 239 # biotype 470 HD "N-Terminal PRO" 85 # biotype 471 N "N-Terminal PHE" 230 # biotype 472 CA "N-Terminal PHE" 236 # biotype 473 C "N-Terminal PHE" 177 # biotype 474 HN "N-Terminal PHE" 233 # biotype 475 O "N-Terminal PHE" 178 # biotype 476 HA "N-Terminal PHE" 85 # biotype 477 N "N-Terminal TYR" 230 # biotype 478 CA "N-Terminal TYR" 236 # biotype 479 C "N-Terminal TYR" 177 # biotype 480 HN "N-Terminal TYR" 233 # biotype 481 O "N-Terminal TYR" 178 # biotype 482 HA "N-Terminal TYR" 85 # biotype 483 N "N-Terminal TYD (O-)" -1 # biotype 484 CA "N-Terminal TYD (O-)" -1 # biotype 485 C "N-Terminal TYD (O-)" -1 # biotype 486 HN "N-Terminal TYD (O-)" -1 # biotype 487 O "N-Terminal TYD (O-)" -1 # biotype 488 HA "N-Terminal TYD (O-)" -1 # biotype 489 N "N-Terminal TRP" 230 # biotype 490 CA "N-Terminal TRP" 236 # biotype 491 C "N-Terminal TRP" 177 # biotype 492 HN "N-Terminal TRP" 233 # biotype 493 O "N-Terminal TRP" 178 # biotype 494 HA "N-Terminal TRP" 85 # biotype 495 N "N-Terminal HIS (+)" 230 # biotype 496 CA "N-Terminal HIS (+)" 236 # biotype 497 C "N-Terminal HIS (+)" 177 # biotype 498 HN "N-Terminal HIS (+)" 233 # biotype 499 O "N-Terminal HIS (+)" 178 # biotype 500 HA "N-Terminal HIS (+)" 85 # biotype 501 N "N-Terminal HIS (HD)" 230 # biotype 502 CA "N-Terminal HIS (HD)" 236 # biotype 503 C "N-Terminal HIS (HD)" 177 # biotype 504 HN "N-Terminal HIS (HD)" 233 # biotype 505 O "N-Terminal HIS (HD)" 178 # biotype 506 HA "N-Terminal HIS (HD)" 85 # biotype 507 N "N-Terminal HIS (HE)" 230 # biotype 508 CA "N-Terminal HIS (HE)" 236 # biotype 509 C "N-Terminal HIS (HE)" 177 # biotype 510 HN "N-Terminal HIS (HE)" 233 # biotype 511 O "N-Terminal HIS (HE)" 178 # biotype 512 HA "N-Terminal HIS (HE)" 85 # biotype 513 N "N-Terminal ASP" 230 # biotype 514 CA "N-Terminal ASP" 236 # biotype 515 C "N-Terminal ASP" 177 # biotype 516 HN "N-Terminal ASP" 233 # biotype 517 O "N-Terminal ASP" 178 # biotype 518 HA "N-Terminal ASP" 85 # biotype 519 N "N-Terminal ASH (COOH)" -1 # biotype 520 CA "N-Terminal ASH (COOH)" -1 # biotype 521 C "N-Terminal ASH (COOH)" -1 # biotype 522 HN "N-Terminal ASH (COOH)" -1 # biotype 523 O "N-Terminal ASH (COOH)" -1 # biotype 524 HA "N-Terminal ASH (COOH)" -1 # biotype 525 N "N-Terminal ASN" 230 # biotype 526 CA "N-Terminal ASN" 236 # biotype 527 C "N-Terminal ASN" 177 # biotype 528 HN "N-Terminal ASN" 233 # biotype 529 O "N-Terminal ASN" 178 # biotype 530 HA "N-Terminal ASN" 85 # biotype 531 N "N-Terminal GLU" 230 # biotype 532 CA "N-Terminal GLU" 236 # biotype 533 C "N-Terminal GLU" 177 # biotype 534 HN "N-Terminal GLU" 233 # biotype 535 O "N-Terminal GLU" 178 # biotype 536 HA "N-Terminal GLU" 85 # biotype 537 N "N-Terminal GLH (COOH)" -1 # biotype 538 CA "N-Terminal GLH (COOH)" -1 # biotype 539 C "N-Terminal GLH (COOH)" -1 # biotype 540 HN "N-Terminal GLH (COOH)" -1 # biotype 541 O "N-Terminal GLH (COOH)" -1 # biotype 542 HA "N-Terminal GLH (COOH)" -1 # biotype 543 N "N-Terminal GLN" 230 # biotype 544 CA "N-Terminal GLN" 236 # biotype 545 C "N-Terminal GLN" 177 # biotype 546 HN "N-Terminal GLN" 233 # biotype 547 O "N-Terminal GLN" 178 # biotype 548 HA "N-Terminal GLN" 85 # biotype 549 N "N-Terminal MET" 230 # biotype 550 CA "N-Terminal MET" 236 # biotype 551 C "N-Terminal MET" 177 # biotype 552 HN "N-Terminal MET" 233 # biotype 553 O "N-Terminal MET" 178 # biotype 554 HA "N-Terminal MET" 85 # biotype 555 N "N-Terminal LYS" 230 # biotype 556 CA "N-Terminal LYS" 236 # biotype 557 C "N-Terminal LYS" 177 # biotype 558 HN "N-Terminal LYS" 233 # biotype 559 O "N-Terminal LYS" 178 # biotype 560 HA "N-Terminal LYS" 85 # biotype 561 N "N-Terminal LYD (NH2)" -1 # biotype 562 CA "N-Terminal LYD (NH2)" -1 # biotype 563 C "N-Terminal LYD (NH2)" -1 # biotype 564 HN "N-Terminal LYD (NH2)" -1 # biotype 565 O "N-Terminal LYD (NH2)" -1 # biotype 566 HA "N-Terminal LYD (NH2)" -1 # biotype 567 N "N-Terminal ARG" 230 # biotype 568 CA "N-Terminal ARG" 236 # biotype 569 C "N-Terminal ARG" 177 # biotype 570 HN "N-Terminal ARG" 233 # biotype 571 O "N-Terminal ARG" 178 # biotype 572 HA "N-Terminal ARG" 85 # biotype 573 N "N-Terminal ORN" 230 # biotype 574 CA "N-Terminal ORN" 236 # biotype 575 C "N-Terminal ORN" 177 # biotype 576 HN "N-Terminal ORN" 233 # biotype 577 O "N-Terminal ORN" 178 # biotype 578 HA "N-Terminal ORN" 85 # biotype 579 N "N-Terminal AIB" 230 # biotype 580 CA "N-Terminal AIB" 237 # biotype 581 C "N-Terminal AIB" 177 # biotype 582 HN "N-Terminal AIB" 233 # biotype 583 O "N-Terminal AIB" 178 # biotype 584 N "C-Terminal GLY" 180 # biotype 585 CA "C-Terminal GLY" 226 # biotype 586 C "C-Terminal GLY" 213 # biotype 587 HN "C-Terminal GLY" 183 # biotype 588 OXT "C-Terminal GLY" 214 # biotype 589 HA "C-Terminal GLY" 85 # biotype 590 N "C-Terminal ALA" 180 # biotype 591 CA "C-Terminal ALA" 225 # biotype 592 C "C-Terminal ALA" 213 # biotype 593 HN "C-Terminal ALA" 183 # biotype 594 OXT "C-Terminal ALA" 214 # biotype 595 HA "C-Terminal ALA" 85 # biotype 596 N "C-Terminal VAL" 180 # biotype 597 CA "C-Terminal VAL" 225 # biotype 598 C "C-Terminal VAL" 213 # biotype 599 HN "C-Terminal VAL" 183 # biotype 600 OXT "C-Terminal VAL" 214 # biotype 601 HA "C-Terminal VAL" 85 # biotype 602 N "C-Terminal LEU" 180 # biotype 603 CA "C-Terminal LEU" 225 # biotype 604 C "C-Terminal LEU" 213 # biotype 605 HN "C-Terminal LEU" 183 # biotype 606 OXT "C-Terminal LEU" 214 # biotype 607 HA "C-Terminal LEU" 85 # biotype 608 N "C-Terminal ILE" 180 # biotype 609 CA "C-Terminal ILE" 225 # biotype 610 C "C-Terminal ILE" 213 # biotype 611 HN "C-Terminal ILE" 183 # biotype 612 OXT "C-Terminal ILE" 214 # biotype 613 HA "C-Terminal ILE" 85 # biotype 614 N "C-Terminal SER" 180 # biotype 615 CA "C-Terminal SER" 225 # biotype 616 C "C-Terminal SER" 213 # biotype 617 HN "C-Terminal SER" 183 # biotype 618 OXT "C-Terminal SER" 214 # biotype 619 HA "C-Terminal SER" 85 # biotype 620 N "C-Terminal THR" 180 # biotype 621 CA "C-Terminal THR" 225 # biotype 622 C "C-Terminal THR" 213 # biotype 623 HN "C-Terminal THR" 183 # biotype 624 OXT "C-Terminal THR" 214 # biotype 625 HA "C-Terminal THR" 85 # biotype 626 N "C-Terminal CYS (SH)" 180 # biotype 627 CA "C-Terminal CYS (SH)" 225 # biotype 628 C "C-Terminal CYS (SH)" 213 # biotype 629 HN "C-Terminal CYS (SH)" 183 # biotype 630 OXT "C-Terminal CYS (SH)" 214 # biotype 631 HA "C-Terminal CYS (SH)" 85 # biotype 632 N "C-Terminal CYX (SS)" 180 # biotype 633 CA "C-Terminal CYX (SS)" 225 # biotype 634 C "C-Terminal CYX (SS)" 213 # biotype 635 HN "C-Terminal CYX (SS)" 183 # biotype 636 OXT "C-Terminal CYX (SS)" 214 # biotype 637 HA "C-Terminal CYX (SS)" 85 # biotype 638 N "C-Terminal CYD (S-)" -1 # biotype 639 CA "C-Terminal CYD (S-)" -1 # biotype 640 C "C-Terminal CYD (S-)" -1 # biotype 641 HN "C-Terminal CYD (S-)" -1 # biotype 642 OXT "C-Terminal CYD (S-)" -1 # biotype 643 HA "C-Terminal CYD (S-)" -1 # biotype 644 N "C-Terminal PRO" 181 # biotype 645 CA "C-Terminal PRO" 228 # biotype 646 C "C-Terminal PRO" 213 # biotype 647 OXT "C-Terminal PRO" 214 # biotype 648 HA "C-Terminal PRO" 85 # biotype 649 N "C-Terminal PHE" 180 # biotype 650 CA "C-Terminal PHE" 225 # biotype 651 C "C-Terminal PHE" 213 # biotype 652 HN "C-Terminal PHE" 183 # biotype 653 OXT "C-Terminal PHE" 214 # biotype 654 HA "C-Terminal PHE" 85 # biotype 655 N "C-Terminal TYR" 180 # biotype 656 CA "C-Terminal TYR" 225 # biotype 657 C "C-Terminal TYR" 213 # biotype 658 HN "C-Terminal TYR" 183 # biotype 659 OXT "C-Terminal TYR" 214 # biotype 660 HA "C-Terminal TYR" 85 # biotype 661 N "C-Terminal TYD (O-)" -1 # biotype 662 CA "C-Terminal TYD (O-)" -1 # biotype 663 C "C-Terminal TYD (O-)" -1 # biotype 664 HN "C-Terminal TYD (O-)" -1 # biotype 665 OXT "C-Terminal TYD (O-)" -1 # biotype 666 HA "C-Terminal TYD (O-)" -1 # biotype 667 N "C-Terminal TRP" 180 # biotype 668 CA "C-Terminal TRP" 225 # biotype 669 C "C-Terminal TRP" 213 # biotype 670 HN "C-Terminal TRP" 183 # biotype 671 OXT "C-Terminal TRP" 214 # biotype 672 HA "C-Terminal TRP" 85 # biotype 673 N "C-Terminal HIS (+)" 180 # biotype 674 CA "C-Terminal HIS (+)" 225 # biotype 675 C "C-Terminal HIS (+)" 213 # biotype 676 HN "C-Terminal HIS (+)" 183 # biotype 677 OXT "C-Terminal HIS (+)" 214 # biotype 678 HA "C-Terminal HIS (+)" 85 # biotype 679 N "C-Terminal HIS (HD)" 180 # biotype 680 CA "C-Terminal HIS (HD)" 225 # biotype 681 C "C-Terminal HIS (HD)" 213 # biotype 682 HN "C-Terminal HIS (HD)" 183 # biotype 683 OXT "C-Terminal HIS (HD)" 214 # biotype 684 HA "C-Terminal HIS (HD)" 85 # biotype 685 N "C-Terminal HIS (HE)" 180 # biotype 686 CA "C-Terminal HIS (HE)" 225 # biotype 687 C "C-Terminal HIS (HE)" 213 # biotype 688 HN "C-Terminal HIS (HE)" 183 # biotype 689 OXT "C-Terminal HIS (HE)" 214 # biotype 690 HA "C-Terminal HIS (HE)" 85 # biotype 691 N "C-Terminal ASP" 180 # biotype 692 CA "C-Terminal ASP" 225 # biotype 693 C "C-Terminal ASP" 213 # biotype 694 HN "C-Terminal ASP" 183 # biotype 695 OXT "C-Terminal ASP" 214 # biotype 696 HA "C-Terminal ASP" 85 # biotype 697 N "C-Terminal ASH (COOH)" -1 # biotype 698 CA "C-Terminal ASH (COOH)" -1 # biotype 699 C "C-Terminal ASH (COOH)" -1 # biotype 700 HN "C-Terminal ASH (COOH)" -1 # biotype 701 OXT "C-Terminal ASH (COOH)" -1 # biotype 702 HA "C-Terminal ASH (COOH)" -1 # biotype 703 N "C-Terminal ASN" 180 # biotype 704 CA "C-Terminal ASN" 225 # biotype 705 C "C-Terminal ASN" 213 # biotype 706 HN "C-Terminal ASN" 183 # biotype 707 OXT "C-Terminal ASN" 214 # biotype 708 HA "C-Terminal ASN" 85 # biotype 709 N "C-Terminal GLU" 180 # biotype 710 CA "C-Terminal GLU" 225 # biotype 711 C "C-Terminal GLU" 213 # biotype 712 HN "C-Terminal GLU" 183 # biotype 713 OXT "C-Terminal GLU" 214 # biotype 714 HA "C-Terminal GLU" 85 # biotype 715 N "C-Terminal GLH (COOH)" -1 # biotype 716 CA "C-Terminal GLH (COOH)" -1 # biotype 717 C "C-Terminal GLH (COOH)" -1 # biotype 718 HN "C-Terminal GLH (COOH)" -1 # biotype 719 OXT "C-Terminal GLH (COOH)" -1 # biotype 720 HA "C-Terminal GLH (COOH)" -1 # biotype 721 N "C-Terminal GLN" 180 # biotype 722 CA "C-Terminal GLN" 225 # biotype 723 C "C-Terminal GLN" 213 # biotype 724 HN "C-Terminal GLN" 183 # biotype 725 OXT "C-Terminal GLN" 214 # biotype 726 HA "C-Terminal GLN" 85 # biotype 727 N "C-Terminal MET" 180 # biotype 728 CA "C-Terminal MET" 225 # biotype 729 C "C-Terminal MET" 213 # biotype 730 HN "C-Terminal MET" 183 # biotype 731 OXT "C-Terminal MET" 214 # biotype 732 HA "C-Terminal MET" 85 # biotype 733 N "C-Terminal LYS" 180 # biotype 734 CA "C-Terminal LYS" 225 # biotype 735 C "C-Terminal LYS" 213 # biotype 736 HN "C-Terminal LYS" 183 # biotype 737 OXT "C-Terminal LYS" 214 # biotype 738 HA "C-Terminal LYS" 85 # biotype 739 N "C-Terminal LYD (NH2)" -1 # biotype 740 CA "C-Terminal LYD (NH2)" -1 # biotype 741 C "C-Terminal LYD (NH2)" -1 # biotype 742 HN "C-Terminal LYD (NH2)" -1 # biotype 743 OXT "C-Terminal LYD (NH2)" -1 # biotype 744 HA "C-Terminal LYD (NH2)" -1 # biotype 745 N "C-Terminal ARG" 180 # biotype 746 CA "C-Terminal ARG" 225 # biotype 747 C "C-Terminal ARG" 213 # biotype 748 HN "C-Terminal ARG" 183 # biotype 749 OXT "C-Terminal ARG" 214 # biotype 750 HA "C-Terminal ARG" 85 # biotype 751 N "C-Terminal ORN" 180 # biotype 752 CA "C-Terminal ORN" 225 # biotype 753 C "C-Terminal ORN" 213 # biotype 754 HN "C-Terminal ORN" 183 # biotype 755 OXT "C-Terminal ORN" 214 # biotype 756 HA "C-Terminal ORN" 85 # biotype 757 N "C-Terminal AIB" 180 # biotype 758 CA "C-Terminal AIB" 227 # biotype 759 C "C-Terminal AIB" 213 # biotype 760 HN "C-Terminal AIB" 183 # biotype 761 OXT "C-Terminal AIB" 214 # biotype 762 N "Deprotonated N-Terminus" -1 # biotype 763 H "Deprotonated N-Terminus" -1 # biotype 764 C "Formyl N-Terminus" 177 # biotype 765 H "Formyl N-Terminus" 221 # biotype 766 O "Formyl N-Terminus" 178 # biotype 767 CH3 "Acetyl N-Terminus" 80 # biotype 768 H "Acetyl N-Terminus" 85 # biotype 769 C "Acetyl N-Terminus" 177 # biotype 770 O "Acetyl N-Terminus" 178 # biotype 771 C "Protonated C-Terminus" -1 # biotype 772 O "Protonated C-Terminus" -1 # biotype 773 OH "Protonated C-Terminus" -1 # biotype 774 HO "Protonated C-Terminus" -1 # biotype 775 N "Amide C-Terminus" 179 # biotype 776 HN "Amide C-Terminus" 182 # biotype 777 N "N-MeAmide C-Terminus" 180 # biotype 778 HN "N-MeAmide C-Terminus" 183 # biotype 779 CH3 "N-MeAmide C-Terminus" 184 # biotype 780 H "N-MeAmide C-Terminus" 85 # biotype 2001 O "Water" 63 # biotype 2002 H "Water" 64 # biotype 2003 LI "Lithium Ion" 348 # biotype 2004 NA "Sodium Ion" 349 # biotype 2005 K "Potassium Ion" 350 # biotype 2006 RB "Rubidium Ion" 351 # biotype 2007 CS "Cesium Ion" 352 # biotype 2008 MG "Magnesium Ion" 353 # biotype 2009 CA "Calcium Ion" 354 # biotype 2010 SR "Strontium Ion" 355 # biotype 2011 BA "Barium Ion" 356 # biotype 2012 F "Fluoride Ion" 343 # biotype 2013 CL "Chloride Ion" 344 # biotype 2014 BR "Bromide Ion" 345 # biotype 2015 I "Iodide Ion" 346 # biotype 2016 ZN "Zinc Ion" 834 # ---------- (end of comment) ---------- # LAMMPS supports many different kinds of bonded and non-bonded # interactions which can be selected at run time. Eventually # we must inform LAMMPS which of them we will need. We specify # this in the "In Init" section: write_once("In Init") { units real atom_style full bond_style harmonic angle_style harmonic dihedral_style opls improper_style harmonic pair_style lj/cut/coul/long 11.0 11.0 # (Note to self: The pair_style used by OPLSAA/M (2015) is: # lj/charmm/coul/long 9.0 11.0 # ...so this will have to be updated eventually.) pair_modify mix geometric special_bonds lj/coul 0.0 0.0 0.5 kspace_style pppm 0.0001 } #end of init parameters # For more information: # https://docs.lammps.org/units.html # https://docs.lammps.org/atom_style.html # https://docs.lammps.org/pair_lj_cut_coul.html # https://docs.lammps.org/bond_harmonic.html # https://docs.lammps.org/angle_harmonic.html # https://docs.lammps.org/dihedral_opls.html # https://docs.lammps.org/improper_harmonic.html # https://docs.lammps.org/special_bonds.html # https://docs.lammps.org/kspace_style.html } # OPLSAA # OPTIONAL: # Generate a file ("log.cite.oplsaa") containing a couple papers # describing the OPLSAA force field, and its implementation in moltemplate. write_once("log.cite.oplsaa") { In case it is helpful, here is a list of papers relevant to the implementation of the OPLSAA force field used in moltemplate. The OPLS force field parameters in moltemplate were not taken directly from the original OPLS papers. Instead, they were obtained from files that are distributed with the TINKER software: (https://github.com/TinkerTools/tinker/blob/release/params/oplsaa.prm) So if you use the OPLSAA or OPLSUA force fields with moltemplate, please also cite the TINKER paper: - J.A. Rackers, Z. Wang, C. Lu, M.L. Laury, L.Lagardère, M.J. Schnieders, J-P. Piquemal, P. Ren, and J.W. Ponder J.Chem.Theory.Comput.,14(10):5273-5289, 2018 https://doi.org/10.1021/acs.jctc.8b00529 As for OPLS, any of these papers can be used to cite the version of OPLS provided by moltemplate: - W.L. Jorgensen and J. Tirado–Rives J. Comp. Chem., Volume 26, Issue 16 p. 1689-1700, 2005 https://doi.org/10.1002/jcc.20297 - W.L. Jorgensen and J. Tirado–Rives Proc. Nat. Acad. Sci, 102 (19) 6665-6670, 2005 https://doi.org/10.1073/pnas.0408037102 - W.L. Jorgensen, D.S. Maxwell, and J. Tirado-Rives J. Am. Chem. Soc. 1996, 118, 11225-11236. https://doi.org/10.1021/ja9621760 Incidentally, parameters used by both TINKER and moltemplate were taken from: - W. L. Jorgensen, July 2008, "OPLS All-Atom Parameters for Organic Molecules, Ions, Peptides & Nucleic Acids, July 2008", BOSS Version 4.8 ...although I doubt you need to cite this. (This document no longer appears to be publicly available, however several other versions of it can be found at http://zarbi.chem.yale.edu/doc/) Many additional OPLS papers have been published by the Jorgensen lab over the years, and the "oplsaa.lt" file probably contains parameters from several of them: http://zarbi.chem.yale.edu/publications.html However, depending on the type of simulation you want to run, only a small subset of these will be relevant to your work (if any). Since the force field parameters used here were taken from the 2008 version of BOSS, papers published after that time are not relevant to moltemplate users. }