@<TRIPOS>MOLECULE
ATP.mol2
47 49 1 0 0
SMALL
GASTEIGER


@<TRIPOS>ATOM
      1 C          -1.7825    2.3504   -0.8233 C.ar      1 UNL1    0.1205
      2 N          -2.8138    2.9105   -1.4956 N.ar      1 UNL1   -0.2188
      3 C          -2.7687    4.2393   -1.7472 C.ar      1 UNL1    0.1472
      4 C          -1.6736    4.9800   -1.2558 C.ar      1 UNL1    0.1473
      5 C          -0.6714    4.2618   -0.6199 C.ar      1 UNL1    0.1674
      6 N          -0.6565    2.9409   -0.3657 N.ar      1 UNL1   -0.2159
      7 N           0.3244    5.1746   -0.3548 N.ar      1 UNL1   -0.2855
      8 C          -0.1597    6.4032   -0.7190 C.ar      1 UNL1    0.1004
      9 N          -1.3569    6.3186   -1.2838 N.ar      1 UNL1   -0.2306
     10 C           1.6541    4.8260    0.1318 C.3       1 UNL1    0.1667
     11 C           1.8237    4.8734    1.6513 C.3       1 UNL1    0.1285
     12 C           3.2163    5.4948    1.8489 C.3       1 UNL1    0.1135
     13 C           3.8361    5.6669    0.4358 C.3       1 UNL1    0.1134
     14 O           2.6830    5.6607   -0.4550 O.3       1 UNL1   -0.3456
     15 C           4.9241    4.5657    0.0968 C.3       1 UNL1    0.0879
     16 O           5.7891    4.7483   -1.0555 O.3       1 UNL1   -0.2837
     17 P           6.4818    3.4226   -1.7259 P.3       1 UNL1    0.4835
     18 O           5.9224    2.1278   -1.2129 O.2       1 UNL1   -0.2269
     19 O           5.9882    3.5875   -3.2493 O.3       1 UNL1   -0.3022
     20 O           8.1156    3.3747   -1.9421 O.3       1 UNL1   -0.1858
     21 P           9.1099    4.2035   -0.7943 P.3       1 UNL1    0.4918
     22 O           8.4237    5.5089   -1.1486 O.2       1 UNL1   -0.2265
     23 O           8.3749    3.4082    0.4189 O.3       1 UNL1   -0.3019
     24 O          10.1042    5.0322    0.3535 O.3       1 UNL1   -0.1859
     25 P           9.6735    5.9653    1.5558 P.3       1 UNL1    0.4808
     26 O           9.3994    5.2883    2.8593 O.2       1 UNL1   -0.2271
     27 O          10.8828    7.0104    1.6319 O.3       1 UNL1   -0.3023
     28 O           8.5227    6.9689    1.1226 O.3       1 UNL1   -0.3023
     29 O           4.0448    4.7671    2.7470 O.3       1 UNL1   -0.3864
     30 O           1.7409    3.5931    2.2932 O.3       1 UNL1   -0.3847
     31 N          -3.8050    4.7858   -2.4945 N.pl3     1 UNL1   -0.3413
     32 H          -1.8725    1.2853   -0.6367 H         1 UNL1    0.1048
     33 H           0.3951    7.3231   -0.5801 H         1 UNL1    0.1030
     34 H           1.8483    3.8116   -0.2415 H         1 UNL1    0.0866
     35 H           1.0624    5.5091    2.1237 H         1 UNL1    0.0665
     36 H           3.0687    6.4876    2.2941 H         1 UNL1    0.0647
     37 H           4.2919    6.6620    0.3589 H         1 UNL1    0.0647
     38 H           4.3891    3.6219   -0.0205 H         1 UNL1    0.0592
     39 H           5.6096    4.4948    0.9451 H         1 UNL1    0.0592
     40 H           5.3016    2.9294   -3.4455 H         1 UNL1    0.2220
     41 H           8.8248    2.5781    0.6678 H         1 UNL1    0.2220
     42 H          10.9026    7.5415    0.7989 H         1 UNL1    0.2220
     43 H           8.0371    7.3043    1.8960 H         1 UNL1    0.2220
     44 H           3.7799    3.8282    2.7148 H         1 UNL1    0.2100
     45 H           2.0364    2.8903    1.6889 H         1 UNL1    0.2101
     46 H          -4.6320    4.2024   -2.5239 H         1 UNL1    0.1438
     47 H          -3.9153    5.7855   -2.4103 H         1 UNL1    0.1438
@<TRIPOS>BOND
     1    1    2 ar
     2    2    3 ar
     3    3    4 ar
     4    4    5 ar
     5    5    6 ar
     6    1    6 ar
     7    5    7 ar
     8    7    8 ar
     9    8    9 ar
    10    4    9 ar
    11    7   10 1
    12   10   11 1
    13   11   12 1
    14   12   13 1
    15   13   14 1
    16   10   14 1
    17   13   15 1
    18   15   16 1
    19   16   17 1
    20   17   18 2
    21   17   19 1
    22   17   20 1
    23   20   21 1
    24   21   22 2
    25   21   23 1
    26   21   24 1
    27   24   25 1
    28   25   26 2
    29   25   27 1
    30   25   28 1
    31   12   29 1
    32   11   30 1
    33    3   31 1
    34    1   32 1
    35    8   33 1
    36   10   34 1
    37   11   35 1
    38   12   36 1
    39   13   37 1
    40   15   38 1
    41   15   39 1
    42   19   40 1
    43   23   41 1
    44   27   42 1
    45   28   43 1
    46   29   44 1
    47   30   45 1
    48   31   46 1
    49   31   47 1
@<TRIPOS>SUBSTRUCTURE
     1 UNL1     1 RESIDUE           4 A     UNL1     0 ROOT