@<TRIPOS>MOLECULE
BindingDB_11932
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.1539    8.1218   14.2468  C     
2    C        -0.8610    8.1064   14.7721  C     
3    C         0.1485    8.4255   13.8507  C     
4    C        -0.3187    8.7653   12.5779  C     
5    S        -2.0299    8.6069   12.5951  S     
6    C        -3.3879    7.7269   14.9506  C     
7    C        -3.2111    4.2407   14.3437  C     
8    C        -3.4883    5.5624   13.5725  C     
9    N        -4.0910    6.6021   14.3821  N     
10   S        -5.5735    6.2002   15.0772  S     
11   O        -5.7751    6.8946   16.4960  O     
12   O        -6.8070    6.5156   14.1249  O     
13   O        -2.7626    3.2748   13.3867  O     
14   C        -4.3812    3.7132   15.0931  C     
15   C        -5.4797    4.5151   15.4328  C     
16   C        -4.4998    2.3925   15.5709  C     
17   C        -5.6886    2.1293   16.2532  C     
18   S        -6.6175    3.5723   16.3029  S     
19   O        -5.7743   -0.5523   15.9412  O     
20   O        -5.2858    0.4707   18.2769  O     
21   S        -6.1487    0.6157   16.9525  S     
22   N        -7.7871    0.5359   17.3238  N     
23   H        -0.6700    7.8814   15.7468  H     
24   H         1.1430    8.4211   14.0918  H     
25   H         0.2529    9.0269   11.7733  H     
26   H        -3.1407    7.4854   15.9911  H     
27   H        -4.0432    8.6091   14.9650  H     
28   H        -2.3985    4.4187   15.0468  H     
29   H        -2.5589    5.8800   13.1042  H     
30   H        -4.1762    5.3413   12.7521  H     
31   H        -2.3503    2.5543   13.9090  H     
32   H        -3.7851    1.6763   15.4194  H     
33   H        -8.1126   -0.1734   17.9091  H     
34   H        -8.4219    1.1214   16.8691  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    6    9 1
     8    7    8 1
     9    7   13 1
    10    7   14 1
    11    8    9 1
    12    9   10 1
    13   10   11 2
    14   10   12 2
    15   10   15 1
    16   14   15 2
    17   14   16 1
    18   15   18 1
    19   16   17 2
    20   17   18 1
    21   17   21 1
    22   19   21 2
    23   20   21 2
    24   21   22 am
    25    2   23 1
    26    3   24 1
    27    4   25 1
    28    6   26 1
    29    6   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33   13   31 1
    34   16   32 1
    35   22   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0755
  Crash		| -1.7057
  Polar		| 2.0682
  FragIndex	| 1
  FragRMSD	| 1.029