data_crystal _cell_length_a 51.50000 _cell_length_b 50.60000 _cell_length_c 18.60000 _cell_angle_alpha 145.20000 _cell_angle_beta 87.70000 _cell_angle_gamma 91.90000 _space_group_name_Hall 'P 1' _space_group_name_H-M_alt 'P 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C C 0.26084 0.80620 0.01656 C C 0.28378 0.21350 0.26682 C C 0.69360 0.39867 0.44964 C C 0.26798 0.84484 0.06063 C C 0.25325 0.85782 0.03154 C C 0.23097 0.83261 0.45851 C C 0.22326 0.79510 0.41880 C C 0.23800 0.78210 0.44773 C C 0.72076 0.39525 0.43481 C C 0.73510 0.37908 0.45560 C C 0.72264 0.36625 0.49243 C C 0.69546 0.36949 0.00660 C C 0.68112 0.38581 0.48627 C C 0.70701 0.64857 0.39971 C C 0.73081 0.63259 0.33458 C C 0.73957 0.64692 0.29815 C C 0.72449 0.67695 0.32429 C C 0.70067 0.69287 0.38975 C C 0.69207 0.67885 0.42690 C C 0.25922 0.19629 0.21235 C C 0.24405 0.17293 0.21258 C C 0.25303 0.16665 0.26814 C C 0.27782 0.18341 0.32092 C C 0.29307 0.20622 0.31937 C C 0.45938 0.46446 0.45067 C C 0.48857 0.46063 0.42692 C C 0.48755 0.54361 0.37848 C C 0.46827 0.58422 0.46451 C C 0.58802 0.48631 0.21345 C C 0.59517 0.53183 0.29389 C C 0.58087 0.55502 0.29349 C C 0.56017 0.53255 0.21065 C C 0.55351 0.48710 0.13062 C C 0.56702 0.46458 0.13365 C C 0.60254 0.46255 0.21088 C C 0.62466 0.48305 0.28472 C C 0.63182 0.52774 0.36218 C C 0.61712 0.55224 0.36883 C C 0.58786 0.60269 0.37684 C C 0.60387 0.61059 0.33227 C C 0.60964 0.65671 0.41386 C C 0.60077 0.69387 0.03930 C C 0.58572 0.68563 0.08347 C C 0.57878 0.64063 0.00305 C C 0.62409 0.66509 0.36869 C C 0.63370 0.62815 0.24433 C C 0.62925 0.58257 0.16580 C C 0.61434 0.57375 0.20863 C C 0.40359 0.60539 0.26026 C C 0.39981 0.58378 0.27987 C C 0.41761 0.54939 0.22445 C C 0.43822 0.53595 0.14724 C C 0.44260 0.56011 0.13650 C C 0.42536 0.59428 0.19163 C C 0.38522 0.63703 0.30680 C C 0.36274 0.64704 0.37114 C C 0.35947 0.62706 0.39480 C C 0.37790 0.59621 0.35112 C C 0.41431 0.52556 0.24152 C C 0.39541 0.49036 0.17447 C C 0.39156 0.47122 0.20127 C C 0.40688 0.48584 0.28975 C C 0.42593 0.51947 0.35261 C C 0.42986 0.53982 0.32979 C C 0.37228 0.43780 0.13979 C C 0.35700 0.42220 0.04951 C C 0.36124 0.43983 0.01948 C C 0.38013 0.47388 0.08193 O O 0.45396 0.49818 0.08120 O O 0.51117 0.55357 0.36230 C C 0.52813 0.58092 0.46398 C C 0.53659 0.62313 0.01375 O O 0.56313 0.63445 0.05184 O O 0.44837 0.57518 0.39451 O O 0.49775 0.50061 0.47872 C C 0.52316 0.51213 0.02445 C C 0.52221 0.54294 0.15980 O O 0.54818 0.55564 0.20535 C C 0.64010 0.45876 0.28436 C C 0.64765 0.63720 0.19538 C C 0.34186 0.67552 0.40478 C C 0.33676 0.38724 0.48737 C C 0.31620 0.65901 0.37001 C C 0.29695 0.68283 0.38746 C C 0.30285 0.72403 0.44256 C C 0.32833 0.74135 0.48082 C C 0.34769 0.71726 0.46208 C C 0.33819 0.34332 0.35733 C C 0.32150 0.30789 0.30263 C C 0.30321 0.31631 0.37771 C C 0.30053 0.36111 0.00569 C C 0.31739 0.39626 0.06056 C C 0.62761 0.43351 0.28373 C C 0.64195 0.41429 0.29529 C C 0.66894 0.42065 0.30983 C C 0.68163 0.44403 0.30507 C C 0.66733 0.46301 0.29249 C C 0.67151 0.61564 0.13043 C C 0.68425 0.62345 0.08137 C C 0.67331 0.65311 0.09730 C C 0.64972 0.67522 0.16413 C C 0.63687 0.66707 0.21196 C C 0.28324 0.74425 0.44120 C C 0.27811 0.78981 0.03649 C C 0.28944 0.82373 0.15861 C C 0.28808 0.27857 0.32844 C C 0.29918 0.24188 0.27786 C C 0.32693 0.23395 0.25362 C C 0.68650 0.66421 0.05252 C C 0.69749 0.63321 0.43755 C C 0.69876 0.58437 0.34559 C C 0.68397 0.40417 0.33369 C C 0.67815 0.41618 0.42910 C C 0.65695 0.44762 0.01623 N N 0.29841 0.85101 0.25659 N N 0.34909 0.22758 0.23433 N N 0.63986 0.47268 0.08462 N N 0.69990 0.54533 0.27216 C C 0.76996 0.30613 0.01894 C C 0.75343 0.72084 0.21591 C C 0.18781 0.87058 0.36366 C C 0.77849 0.34554 0.06845 C C 0.76267 0.36634 0.06500 C C 0.73799 0.34812 0.01160 C C 0.72873 0.31078 0.47038 C C 0.74447 0.29023 0.47486 C C 0.21510 0.87035 0.35774 C C 0.22950 0.85740 0.38770 C C 0.21691 0.84434 0.42376 C C 0.18967 0.84356 0.42666 C C 0.17531 0.85679 0.39778 C C 0.20608 0.11071 0.31668 C C 0.23286 0.10203 0.29375 C C 0.24829 0.11858 0.27294 C C 0.23732 0.14493 0.27710 C C 0.21030 0.15228 0.29636 C C 0.19484 0.13497 0.31479 C C 0.73748 0.75001 0.32348 C C 0.72779 0.73527 0.35776 C C 0.73352 0.69068 0.28381 C C 0.74835 0.66065 0.17206 C C 0.75839 0.67574 0.13902 C C 0.96439 0.91476 0.15810 C C 0.98731 0.94394 0.24732 C C 0.96417 0.04865 0.24129 C C 0.95748 0.04424 0.15239 C C 0.07832 0.93581 0.07442 C C 0.08173 0.98264 0.15783 C C 0.06809 0.99994 0.13791 C C 0.05188 0.97069 0.03419 C C 0.04829 0.92454 0.45377 C C 0.06103 0.90754 0.47516 C C 0.09351 0.91709 0.08639 C C 0.11275 0.94397 0.17773 C C 0.11565 0.99052 0.26145 C C 0.10010 0.00992 0.25331 C C 0.07220 0.04784 0.21835 C C 0.08970 0.05747 0.18145 C C 0.09347 0.10394 0.26244 C C 0.07946 0.13970 0.37671 C C 0.06214 0.12973 0.41192 C C 0.05837 0.08400 0.33321 C C 0.11160 0.11408 0.22913 C C 0.12642 0.07860 0.11721 C C 0.12251 0.03273 0.03712 C C 0.10413 0.02208 0.06752 C C 0.89658 0.04423 0.48312 C C 0.89883 0.02039 0.49569 C C 0.91484 0.98055 0.40913 C C 0.92796 0.96435 0.31012 C C 0.92540 0.98870 0.29975 C C 0.91008 0.02846 0.38610 C C 0.88034 0.08302 0.06598 C C 0.86580 0.09810 0.16036 C C 0.86827 0.07494 0.17405 C C 0.88477 0.03676 0.09352 C C 0.91953 0.95644 0.42378 C C 0.90149 0.92449 0.38385 C C 0.90792 0.90074 0.39424 C C 0.93196 0.90824 0.44138 C C 0.94933 0.94030 0.48233 C C 0.94297 0.96534 0.47742 C C 0.89019 0.86992 0.35832 C C 0.86554 0.86302 0.31530 C C 0.85930 0.88593 0.30294 C C 0.87715 0.91594 0.33547 O O 0.94139 0.92182 0.21857 O O 0.98925 0.03045 0.21096 C C 0.99842 0.04428 0.30915 C C 0.01563 0.08742 0.39692 O O 0.04237 0.07439 0.37264 O O 0.96067 0.99802 0.02194 O O 0.00206 0.91764 0.23660 C C 0.02445 0.94227 0.31122 C C 0.01897 0.97025 0.44180 O O 0.04312 0.98697 0.00450 C C 0.13005 0.92365 0.18568 C C 0.14539 0.08893 0.08107 C C 0.84678 0.13607 0.23843 C C 0.84627 0.83323 0.28840 C C 0.82083 0.12960 0.24771 C C 0.80202 0.16268 0.30624 C C 0.80898 0.20318 0.35920 C C 0.83511 0.21057 0.35450 C C 0.85387 0.17723 0.29447 C C 0.82958 0.80340 0.18567 C C 0.81212 0.77458 0.16008 C C 0.81120 0.77533 0.23703 C C 0.82772 0.80509 0.33928 C C 0.84482 0.83410 0.36571 C C 0.11982 0.89502 0.17679 C C 0.13576 0.87857 0.19322 C C 0.16212 0.89094 0.22048 C C 0.17266 0.91795 0.22451 C C 0.15674 0.93428 0.20739 C C 0.17038 0.06931 0.03607 C C 0.18756 0.07636 0.49285 C C 0.17967 0.10197 0.49102 C C 0.15502 0.12270 0.03943 C C 0.13800 0.11621 0.08406 C C 0.78833 0.23306 0.39858 C C 0.78854 0.27977 0.00349 C C 0.80775 0.30507 0.09868 C C 0.79425 0.74443 0.21208 C C 0.76840 0.74047 0.19789 C C 0.75456 0.76262 0.19078 C C 0.19714 0.10729 0.43890 C C 0.18985 0.09687 0.34912 C C 0.16561 0.07337 0.28569 C C 0.17847 0.87702 0.24906 C C 0.17202 0.88686 0.34015 C C 0.14938 0.91471 0.42018 N N 0.82310 0.32549 0.17507 N N 0.74341 0.78021 0.18485 N N 0.13118 0.93688 0.48346 N N 0.14617 0.05444 0.23572 H H 0.24073 0.08156 0.29196 H H 0.26781 0.11004 0.25405 H H 0.20007 0.17166 0.30080 H H 0.17309 0.14087 0.33148 H H 0.10235 0.04478 0.31827 H H 0.08116 0.17435 0.43905 H H 0.05089 0.15653 0.00126 H H 0.11356 0.14858 0.29083 H H 0.13269 0.00394 0.45010 H H 0.10079 0.98510 0.00225 H H 0.00933 0.01465 0.26580 H H 0.98146 0.04916 0.36318 H H 0.00960 0.11108 0.49553 H H 0.01036 0.10396 0.38407 H H 0.17545 0.04759 0.03411 H H 0.20565 0.05991 0.45734 H H 0.14779 0.14225 0.03998 H H 0.11765 0.13008 0.11624 H H 0.21507 0.12098 0.47862 H H 0.28545 0.86312 0.11385 H H 0.25932 0.88650 0.06522 H H 0.20621 0.77401 0.36181 H H 0.23173 0.75183 0.41452 H H 0.73096 0.40464 0.40821 H H 0.75597 0.37489 0.44026 H H 0.68529 0.35910 0.03495 H H 0.66019 0.38722 0.49818 H H 0.74278 0.60859 0.31321 H H 0.75836 0.63406 0.25081 H H 0.68819 0.71398 0.40816 H H 0.67340 0.68993 0.47429 H H 0.25176 0.20032 0.17016 H H 0.22518 0.15915 0.16992 H H 0.28511 0.17945 0.36723 H H 0.31178 0.21889 0.36339 H H 0.44958 0.47058 0.41511 H H 0.45206 0.42938 0.39378 H H 0.49257 0.42866 0.32332 H H 0.49757 0.45387 0.46621 H H 0.49059 0.53290 0.41325 H H 0.47895 0.51148 0.28372 H H 0.47902 0.61449 0.01462 H H 0.45976 0.59250 0.03833 H H 0.53822 0.46739 0.06332 H H 0.56152 0.42859 0.07030 H H 0.59715 0.42659 0.14787 H H 0.64890 0.54285 0.41765 H H 0.62354 0.58572 0.43003 H H 0.60539 0.72826 0.10254 H H 0.57881 0.71326 0.17976 H H 0.62800 0.69938 0.42980 H H 0.63671 0.55267 0.06941 H H 0.61098 0.53698 0.14359 H H 0.45936 0.55082 0.08332 H H 0.42876 0.61051 0.17844 H H 0.38779 0.65118 0.28714 H H 0.34244 0.63413 0.44588 H H 0.37454 0.58043 0.37053 H H 0.40412 0.47023 0.30995 H H 0.43728 0.52864 0.41936 H H 0.36925 0.42243 0.16060 H H 0.34959 0.42675 0.44876 H H 0.38269 0.48611 0.05681 H H 0.54560 0.55905 0.42848 H H 0.51979 0.59205 0.04337 H H 0.52408 0.65202 0.09592 H H 0.53308 0.61527 0.44017 H H 0.53292 0.53113 0.02426 H H 0.53561 0.48016 0.46287 H H 0.51086 0.52583 0.16891 H H 0.51118 0.57380 0.21790 H H 0.31136 0.62554 0.32339 H H 0.27752 0.66755 0.35469 H H 0.33351 0.77129 0.01926 H H 0.36734 0.72961 0.48923 H H 0.35313 0.33487 0.29936 H H 0.32352 0.27254 0.20268 H H 0.28638 0.36713 0.06398 H H 0.31599 0.42913 0.16047 H H 0.60668 0.42910 0.27853 H H 0.63195 0.39453 0.29608 H H 0.70252 0.44743 0.31341 H H 0.67754 0.48004 0.28862 H H 0.68037 0.59227 0.11874 H H 0.70286 0.60623 0.03334 H H 0.64105 0.69728 0.17693 H H 0.61824 0.68241 0.25954 H H 0.27330 0.71879 0.35284 H H 0.26770 0.28448 0.35537 H H 0.68562 0.69918 0.11584 H H 0.70070 0.38159 0.27224 H H 0.79792 0.35797 0.10390 H H 0.77002 0.39502 0.10069 H H 0.70979 0.29500 0.42859 H H 0.73696 0.25996 0.43965 H H 0.96303 0.08511 0.33874 H H 0.94943 0.02871 0.23234 H H 0.97087 0.06636 0.17197 H H 0.93744 0.05596 0.17267 H H 0.93441 0.97555 0.22259 H H 0.90824 0.04524 0.37455 H H 0.87817 0.09943 0.05346 H H 0.85727 0.08540 0.24656 H H 0.88599 0.01871 0.10642 H H 0.81492 0.09684 0.20325 H H 0.78188 0.15511 0.30653 H H 0.84077 0.23994 0.39083 H H 0.87379 0.18187 0.28795 H H 0.77317 0.21395 0.33061 H H 0.22425 0.88122 0.33252 H H 0.24945 0.85733 0.38150 H H 0.17836 0.83388 0.45416 H H 0.15324 0.85652 0.40241 H H 0.03576 0.90081 0.36985 H H 0.05742 0.87146 0.40929 H H 0.09031 0.88086 0.01954 H H 0.12921 0.01187 0.33197 H H 0.00613 0.94972 0.43544 H H 0.00571 0.00048 0.49592 H H 0.09825 0.88660 0.16072 H H 0.12636 0.85710 0.18752 H H 0.19198 0.92715 0.24308 H H 0.16414 0.95537 0.21105 H H 0.19519 0.85846 0.19344 H H 0.73396 0.78529 0.38478 H H 0.71690 0.75968 0.44506 H H 0.75249 0.62565 0.11035 H H 0.77077 0.65288 0.05536 H H 0.96083 0.92059 0.11322 H H 0.97002 0.87770 0.07900 H H 0.97988 0.97633 0.34478 H H 0.99933 0.95309 0.21834 H H 0.93713 0.88957 0.44696 H H 0.96782 0.94652 0.01933 H H 0.89559 0.85141 0.36418 H H 0.84032 0.88156 0.27073 H H 0.87158 0.93309 0.32459 H H 0.03293 0.96515 0.31868 H H 0.03982 0.91666 0.26501 H H 0.83048 0.80158 0.12315 H H 0.79979 0.75111 0.07869 H H 0.82714 0.80620 0.39933 H H 0.85689 0.85745 0.44681 H H 0.80289 0.73004 0.22667 C C 0.26084 0.80620 0.51656 C C 0.28378 0.21350 0.76682 C C 0.69360 0.39867 0.94964 C C 0.26798 0.84484 0.56063 C C 0.25325 0.85782 0.53154 C C 0.23097 0.83261 0.95851 C C 0.22326 0.79510 0.91880 C C 0.23800 0.78210 0.94773 C C 0.72076 0.39525 0.93481 C C 0.73510 0.37908 0.95560 C C 0.72264 0.36625 0.99243 C C 0.69546 0.36949 0.50660 C C 0.68112 0.38581 0.98627 C C 0.70701 0.64857 0.89972 C C 0.73081 0.63259 0.83458 C C 0.73957 0.64692 0.79815 C C 0.72449 0.67695 0.82429 C C 0.70067 0.69287 0.88975 C C 0.69207 0.67885 0.92690 C C 0.25922 0.19629 0.71235 C C 0.24405 0.17293 0.71259 C C 0.25303 0.16665 0.76814 C C 0.27782 0.18341 0.82091 C C 0.29307 0.20622 0.81937 C C 0.45938 0.46446 0.95067 C C 0.48857 0.46063 0.92693 C C 0.48755 0.54361 0.87848 C C 0.46827 0.58422 0.96450 C C 0.58802 0.48631 0.71345 C C 0.59517 0.53183 0.79389 C C 0.58087 0.55502 0.79349 C C 0.56017 0.53255 0.71065 C C 0.55351 0.48710 0.63062 C C 0.56702 0.46458 0.63365 C C 0.60254 0.46255 0.71088 C C 0.62466 0.48305 0.78472 C C 0.63182 0.52774 0.86218 C C 0.61712 0.55224 0.86882 C C 0.58786 0.60269 0.87684 C C 0.60387 0.61059 0.83227 C C 0.60964 0.65671 0.91385 C C 0.60077 0.69387 0.53930 C C 0.58572 0.68563 0.58347 C C 0.57878 0.64063 0.50305 C C 0.62409 0.66509 0.86869 C C 0.63370 0.62815 0.74433 C C 0.62925 0.58257 0.66580 C C 0.61434 0.57375 0.70863 C C 0.40359 0.60539 0.76026 C C 0.39981 0.58378 0.77987 C C 0.41761 0.54939 0.72445 C C 0.43822 0.53595 0.64724 C C 0.44260 0.56011 0.63650 C C 0.42536 0.59428 0.69164 C C 0.38522 0.63703 0.80680 C C 0.36274 0.64704 0.87114 C C 0.35947 0.62706 0.89480 C C 0.37790 0.59621 0.85112 C C 0.41431 0.52556 0.74152 C C 0.39541 0.49036 0.67447 C C 0.39156 0.47122 0.70127 C C 0.40688 0.48584 0.78975 C C 0.42593 0.51947 0.85261 C C 0.42986 0.53982 0.82980 C C 0.37228 0.43780 0.63979 C C 0.35700 0.42220 0.54951 C C 0.36124 0.43983 0.51948 C C 0.38013 0.47388 0.58193 O O 0.45396 0.49818 0.58120 O O 0.51117 0.55357 0.86230 C C 0.52813 0.58092 0.96398 C C 0.53659 0.62313 0.51375 O O 0.56313 0.63445 0.55184 O O 0.44837 0.57518 0.89452 O O 0.49775 0.50061 0.97872 C C 0.52316 0.51213 0.52445 C C 0.52221 0.54294 0.65980 O O 0.54818 0.55564 0.70535 C C 0.64010 0.45876 0.78436 C C 0.64765 0.63720 0.69538 C C 0.34186 0.67552 0.90477 C C 0.33676 0.38724 0.98737 C C 0.31620 0.65901 0.87001 C C 0.29695 0.68283 0.88746 C C 0.30285 0.72403 0.94257 C C 0.32833 0.74135 0.98083 C C 0.34769 0.71726 0.96208 C C 0.33819 0.34332 0.85733 C C 0.32150 0.30789 0.80263 C C 0.30321 0.31631 0.87771 C C 0.30053 0.36111 0.50569 C C 0.31739 0.39626 0.56056 C C 0.62761 0.43351 0.78373 C C 0.64195 0.41429 0.79530 C C 0.66894 0.42065 0.80983 C C 0.68163 0.44403 0.80507 C C 0.66733 0.46301 0.79249 C C 0.67151 0.61564 0.63043 C C 0.68425 0.62345 0.58137 C C 0.67331 0.65311 0.59730 C C 0.64972 0.67522 0.66413 C C 0.63687 0.66707 0.71196 C C 0.28324 0.74425 0.94120 C C 0.27811 0.78981 0.53649 C C 0.28944 0.82373 0.65861 C C 0.28808 0.27857 0.82844 C C 0.29918 0.24188 0.77786 C C 0.32693 0.23395 0.75362 C C 0.68650 0.66421 0.55252 C C 0.69749 0.63321 0.93755 C C 0.69876 0.58437 0.84559 C C 0.68397 0.40417 0.83369 C C 0.67815 0.41618 0.92911 C C 0.65695 0.44762 0.51623 N N 0.29841 0.85101 0.75659 N N 0.34909 0.22758 0.73433 N N 0.63986 0.47268 0.58462 N N 0.69990 0.54533 0.77216 C C 0.76996 0.30613 0.51894 C C 0.75343 0.72084 0.71591 C C 0.18781 0.87058 0.86366 C C 0.77849 0.34554 0.56845 C C 0.76267 0.36634 0.56500 C C 0.73799 0.34812 0.51160 C C 0.72873 0.31078 0.97038 C C 0.74447 0.29023 0.97486 C C 0.21510 0.87035 0.85774 C C 0.22950 0.85740 0.88769 C C 0.21691 0.84434 0.92376 C C 0.18967 0.84356 0.92666 C C 0.17531 0.85679 0.89778 C C 0.20608 0.11071 0.81669 C C 0.23286 0.10203 0.79375 C C 0.24829 0.11858 0.77294 C C 0.23732 0.14493 0.77710 C C 0.21030 0.15228 0.79636 C C 0.19484 0.13497 0.81480 C C 0.73748 0.75001 0.82348 C C 0.72779 0.73527 0.85776 C C 0.73352 0.69068 0.78381 C C 0.74835 0.66065 0.67206 C C 0.75839 0.67574 0.63902 C C 0.96439 0.91476 0.65810 C C 0.98731 0.94394 0.74732 C C 0.96417 0.04865 0.74129 C C 0.95748 0.04424 0.65240 C C 0.07832 0.93581 0.57442 C C 0.08173 0.98264 0.65784 C C 0.06809 0.99994 0.63791 C C 0.05188 0.97069 0.53420 C C 0.04829 0.92454 0.95378 C C 0.06103 0.90754 0.97516 C C 0.09351 0.91709 0.58639 C C 0.11275 0.94397 0.67774 C C 0.11565 0.99052 0.76145 C C 0.10010 0.00992 0.75331 C C 0.07220 0.04784 0.71835 C C 0.08970 0.05747 0.68145 C C 0.09347 0.10394 0.76244 C C 0.07946 0.13970 0.87671 C C 0.06214 0.12973 0.91192 C C 0.05837 0.08400 0.83321 C C 0.11160 0.11408 0.72913 C C 0.12642 0.07860 0.61721 C C 0.12251 0.03273 0.53712 C C 0.10413 0.02208 0.56752 C C 0.89658 0.04423 0.98311 C C 0.89883 0.02039 0.99570 C C 0.91484 0.98055 0.90913 C C 0.92796 0.96435 0.81012 C C 0.92540 0.98870 0.79975 C C 0.91008 0.02846 0.88610 C C 0.88034 0.08302 0.56598 C C 0.86580 0.09810 0.66036 C C 0.86827 0.07494 0.67405 C C 0.88477 0.03676 0.59352 C C 0.91953 0.95644 0.92378 C C 0.90149 0.92449 0.88385 C C 0.90792 0.90074 0.89424 C C 0.93196 0.90824 0.94138 C C 0.94933 0.94030 0.98233 C C 0.94297 0.96534 0.97741 C C 0.89019 0.86992 0.85832 C C 0.86554 0.86302 0.81530 C C 0.85930 0.88593 0.80294 C C 0.87715 0.91594 0.83547 O O 0.94139 0.92182 0.71857 O O 0.98925 0.03045 0.71096 C C 0.99842 0.04428 0.80915 C C 0.01563 0.08742 0.89691 O O 0.04237 0.07439 0.87264 O O 0.96067 0.99802 0.52194 O O 0.00206 0.91764 0.73660 C C 0.02445 0.94227 0.81122 C C 0.01897 0.97025 0.94180 O O 0.04312 0.98697 0.50450 C C 0.13005 0.92365 0.68568 C C 0.14539 0.08893 0.58107 C C 0.84678 0.13607 0.73843 C C 0.84627 0.83323 0.78840 C C 0.82083 0.12960 0.74771 C C 0.80202 0.16268 0.80623 C C 0.80898 0.20318 0.85920 C C 0.83511 0.21057 0.85450 C C 0.85387 0.17723 0.79447 C C 0.82958 0.80340 0.68567 C C 0.81212 0.77458 0.66007 C C 0.81120 0.77533 0.73703 C C 0.82772 0.80509 0.83928 C C 0.84482 0.83410 0.86571 C C 0.11982 0.89502 0.67679 C C 0.13576 0.87857 0.69322 C C 0.16212 0.89094 0.72048 C C 0.17266 0.91795 0.72451 C C 0.15674 0.93428 0.70739 C C 0.17038 0.06931 0.53607 C C 0.18756 0.07636 0.99285 C C 0.17967 0.10197 0.99102 C C 0.15502 0.12270 0.53943 C C 0.13800 0.11621 0.58406 C C 0.78833 0.23306 0.89858 C C 0.78854 0.27977 0.50349 C C 0.80775 0.30507 0.59868 C C 0.79425 0.74443 0.71208 C C 0.76840 0.74047 0.69789 C C 0.75456 0.76262 0.69078 C C 0.19714 0.10729 0.93889 C C 0.18985 0.09687 0.84912 C C 0.16561 0.07337 0.78569 C C 0.17847 0.87702 0.74906 C C 0.17202 0.88686 0.84015 C C 0.14938 0.91471 0.92017 N N 0.82310 0.32549 0.67507 N N 0.74341 0.78021 0.68485 N N 0.13118 0.93688 0.98346 N N 0.14617 0.05444 0.73572 H H 0.24073 0.08156 0.79195 H H 0.26781 0.11004 0.75405 H H 0.20007 0.17166 0.80080 H H 0.17309 0.14087 0.83148 H H 0.10235 0.04478 0.81827 H H 0.08116 0.17435 0.93905 H H 0.05089 0.15653 0.50126 H H 0.11356 0.14858 0.79083 H H 0.13269 0.00394 0.95010 H H 0.10079 0.98510 0.50225 H H 0.00933 0.01465 0.76580 H H 0.98146 0.04916 0.86319 H H 0.00960 0.11108 0.99553 H H 0.01036 0.10396 0.88407 H H 0.17545 0.04759 0.53411 H H 0.20565 0.05991 0.95734 H H 0.14779 0.14225 0.53998 H H 0.11765 0.13008 0.61624 H H 0.21507 0.12098 0.97862 H H 0.28545 0.86312 0.61385 H H 0.25932 0.88650 0.56522 H H 0.20621 0.77401 0.86181 H H 0.23173 0.75183 0.91452 H H 0.73096 0.40464 0.90821 H H 0.75597 0.37489 0.94026 H H 0.68529 0.35910 0.53495 H H 0.66019 0.38722 0.99818 H H 0.74278 0.60859 0.81321 H H 0.75836 0.63406 0.75081 H H 0.68819 0.71398 0.90816 H H 0.67340 0.68993 0.97429 H H 0.25176 0.20032 0.67016 H H 0.22518 0.15915 0.66992 H H 0.28511 0.17945 0.86723 H H 0.31178 0.21889 0.86339 H H 0.44958 0.47058 0.91511 H H 0.45206 0.42938 0.89378 H H 0.49257 0.42866 0.82332 H H 0.49757 0.45387 0.96621 H H 0.49059 0.53290 0.91324 H H 0.47895 0.51148 0.78371 H H 0.47902 0.61449 0.51462 H H 0.45976 0.59250 0.53833 H H 0.53822 0.46739 0.56332 H H 0.56152 0.42859 0.57030 H H 0.59715 0.42659 0.64787 H H 0.64890 0.54285 0.91765 H H 0.62354 0.58572 0.93003 H H 0.60539 0.72826 0.60254 H H 0.57881 0.71326 0.67976 H H 0.62800 0.69938 0.92980 H H 0.63671 0.55267 0.56941 H H 0.61098 0.53698 0.64359 H H 0.45936 0.55082 0.58332 H H 0.42876 0.61051 0.67844 H H 0.38779 0.65118 0.78714 H H 0.34244 0.63413 0.94588 H H 0.37454 0.58043 0.87053 H H 0.40412 0.47023 0.80995 H H 0.43728 0.52864 0.91936 H H 0.36925 0.42243 0.66060 H H 0.34959 0.42675 0.94876 H H 0.38269 0.48611 0.55681 H H 0.54560 0.55905 0.92848 H H 0.51979 0.59205 0.54338 H H 0.52408 0.65202 0.59592 H H 0.53308 0.61527 0.94017 H H 0.53292 0.53113 0.52426 H H 0.53561 0.48016 0.96286 H H 0.51086 0.52583 0.66891 H H 0.51118 0.57380 0.71790 H H 0.31136 0.62554 0.82339 H H 0.27752 0.66755 0.85469 H H 0.33351 0.77129 0.51926 H H 0.36734 0.72961 0.98923 H H 0.35313 0.33487 0.79936 H H 0.32352 0.27254 0.70268 H H 0.28638 0.36713 0.56398 H H 0.31599 0.42913 0.66047 H H 0.60668 0.42910 0.77853 H H 0.63195 0.39453 0.79608 H H 0.70252 0.44743 0.81341 H H 0.67754 0.48004 0.78862 H H 0.68037 0.59227 0.61874 H H 0.70286 0.60623 0.53334 H H 0.64105 0.69728 0.67693 H H 0.61824 0.68241 0.75954 H H 0.27330 0.71879 0.85285 H H 0.26770 0.28448 0.85538 H H 0.68562 0.69918 0.61584 H H 0.70070 0.38159 0.77225 H H 0.79792 0.35797 0.60390 H H 0.77002 0.39502 0.60069 H H 0.70979 0.29500 0.92859 H H 0.73696 0.25996 0.93965 H H 0.96303 0.08511 0.83874 H H 0.94943 0.02871 0.73234 H H 0.97087 0.06636 0.67197 H H 0.93744 0.05596 0.67267 H H 0.93441 0.97555 0.72259 H H 0.90824 0.04524 0.87455 H H 0.87817 0.09943 0.55346 H H 0.85727 0.08540 0.74656 H H 0.88599 0.01871 0.60642 H H 0.81492 0.09684 0.70326 H H 0.78188 0.15511 0.80653 H H 0.84077 0.23994 0.89083 H H 0.87379 0.18187 0.78795 H H 0.77317 0.21395 0.83061 H H 0.22425 0.88122 0.83252 H H 0.24945 0.85733 0.88150 H H 0.17836 0.83388 0.95415 H H 0.15324 0.85652 0.90241 H H 0.03576 0.90081 0.86985 H H 0.05742 0.87146 0.90929 H H 0.09031 0.88086 0.51954 H H 0.12921 0.01187 0.83197 H H 0.00613 0.94972 0.93544 H H 0.00571 0.00048 0.99592 H H 0.09825 0.88660 0.66072 H H 0.12636 0.85710 0.68752 H H 0.19198 0.92715 0.74308 H H 0.16414 0.95537 0.71105 H H 0.19519 0.85846 0.69344 H H 0.73396 0.78529 0.88477 H H 0.71690 0.75968 0.94506 H H 0.75249 0.62565 0.61035 H H 0.77077 0.65288 0.55536 H H 0.96083 0.92059 0.61322 H H 0.97002 0.87770 0.57900 H H 0.97988 0.97633 0.84478 H H 0.99933 0.95309 0.71834 H H 0.93713 0.88957 0.94696 H H 0.96782 0.94652 0.51933 H H 0.89559 0.85141 0.86418 H H 0.84032 0.88156 0.77072 H H 0.87158 0.93309 0.82458 H H 0.03293 0.96515 0.81868 H H 0.03982 0.91666 0.76501 H H 0.83048 0.80158 0.62315 H H 0.79979 0.75111 0.57869 H H 0.82714 0.80620 0.89933 H H 0.85689 0.85745 0.94681 H H 0.80289 0.73004 0.72667