@<TRIPOS>MOLECULE
BindingDB_7744
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.8346  206.6941  109.9789  C     
2    C       -13.8353  206.9845  111.3926  C     
3    C       -12.5307  207.4011  111.1658  C     
4    C       -14.4785  207.0319  110.1502  C     
5    N       -13.5859  207.4233  109.2403  N     
6    C       -12.4292  207.6213  109.8257  C     
7    O       -11.4616  208.0356  109.2021  O     
8    N       -10.3143  207.9393  111.8006  N     
9    C        -9.3451  208.4403  112.6148  C     
10   C        -7.1750  209.4510  114.1697  C     
11   C        -8.4866  209.4422  114.6899  C     
12   C        -9.5554  208.9349  113.9273  C     
13   C        -8.0319  208.4868  112.0930  C     
14   C        -6.9553  208.9684  112.8635  C     
15   O        -4.4219  210.0824  114.4184  O     
16   S        -5.8576  210.0970  115.1100  S     
17   O        -6.2360  211.6327  115.2692  O     
18   N        -5.7977  209.5199  116.6880  N     
19   C       -16.5639  206.2354  111.0944  C     
20   C       -15.9183  206.1449  112.3440  C     
21   C       -15.6306  205.7123  114.4771  C     
22   C       -14.5789  206.5294  112.5119  C     
23   S       -14.0555  206.2849  114.1439  S     
24   N       -16.4711  205.6801  113.4736  N     
25   C       -11.5864  207.6411  112.0958  C     
26   H       -16.2784  206.7674  109.0637  H     
27   H       -13.7626  207.5468  108.2949  H     
28   H       -10.0282  207.7377  110.8959  H     
29   H        -8.6791  209.8041  115.6304  H     
30   H       -10.4908  208.9510  114.3385  H     
31   H        -7.8425  208.1558  111.1414  H     
32   H        -6.0155  208.9723  112.4594  H     
33   H        -5.6422  210.1439  117.4174  H     
34   H        -5.7804  208.5607  116.8557  H     
35   H       -17.5427  205.9568  110.9896  H     
36   H       -15.8931  205.4060  115.3841  H     
37   H       -11.8364  207.5587  113.0520  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   19 1
     3    2    3 1
     4    2    4 1
     5    2   22 2
     6    3    6 1
     7    3   25 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   25 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   18 am
    23   19   20 2
    24   20   22 1
    25   20   24 1
    26   21   23 1
    27   21   24 2
    28   22   23 1
    29    1   26 1
    30    5   27 1
    31    8   28 1
    32   11   29 1
    33   12   30 1
    34   13   31 1
    35   14   32 1
    36   18   33 1
    37   18   34 1
    38   19   35 1
    39   21   36 1
    40   25   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3217
  Crash		| -0.5076
  Polar		| 4.7686
  FragIndex	| 1
  FragRMSD	| 0.160