@<TRIPOS>MOLECULE
BindingDB_11396
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.8764    3.9057   14.4696  C     
2    C        -2.7137    4.9985   13.7004  C     
3    N        -3.6358    5.9625   13.4682  N     
4    C        -3.3892    7.0436   12.5425  C     
5    C        -2.9924    8.3882   13.2159  C     
6    S        -5.2021    5.8430   14.1129  S     
7    O        -5.5378    6.9338   15.2194  O     
8    O        -6.3292    5.6666   13.0025  O     
9    C        -4.0661    3.5619   15.0954  C     
10   C        -5.2093    4.3570   14.9930  C     
11   C        -4.2697    2.3920   15.8554  C     
12   C        -5.5692    2.2440   16.3472  C     
13   S        -6.4960    3.5981   15.8369  S     
14   N        -7.7249    1.1441   17.8396  N     
15   S        -6.1724    0.9035   17.2532  S     
16   O        -6.1135   -0.4238   16.3824  O     
17   O        -5.2239    0.7090   18.5105  O     
18   N        -1.5342    8.5444   13.4420  N     
19   C        -0.9337    7.9195   14.6474  C     
20   C        -1.2986    8.6065   15.9883  C     
21   C        -0.7466   10.0454   16.1106  C     
22   H        -2.1010    3.2924   14.5763  H     
23   H        -1.8124    5.1153   13.2939  H     
24   H        -2.6074    6.7825   11.8262  H     
25   H        -4.2909    7.2106   11.9428  H     
26   H        -3.2680    9.1934   12.5294  H     
27   H        -3.5497    8.5505   14.1357  H     
28   H        -3.5362    1.6960   16.0253  H     
29   H        -7.9459    0.8504   18.7467  H     
30   H        -8.3219    1.7692   17.3831  H     
31   H        -1.0501    8.1678   12.6243  H     
32   H        -1.3326    9.5430   13.4832  H     
33   H        -1.2117    6.8659   14.7126  H     
34   H         0.1528    7.9622   14.5196  H     
35   H        -2.3841    8.6268   16.1146  H     
36   H        -0.8840    8.0071   16.8042  H     
37   H         0.3388   10.0415   16.0081  H     
38   H        -1.0112   10.4517   17.0871  H     
39   H        -1.1747   10.6932   15.3421  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    9 1
     3    2    3 1
     4    3    4 1
     5    3    6 1
     6    4    5 1
     7    5   18 1
     8    6    7 2
     9    6    8 2
    10    6   10 1
    11    9   10 2
    12    9   11 1
    13   10   13 1
    14   11   12 2
    15   12   13 1
    16   12   15 1
    17   14   15 am
    18   15   16 2
    19   15   17 2
    20   18   19 1
    21   19   20 1
    22   20   21 1
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    4   25 1
    27    5   26 1
    28    5   27 1
    29   11   28 1
    30   14   29 1
    31   14   30 1
    32   18   31 1
    33   18   32 1
    34   19   33 1
    35   19   34 1
    36   20   35 1
    37   20   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2725
  Crash		| -2.7458
  Polar		| 4.7422
  FragIndex	| 1
  FragRMSD	| 1.043