@<TRIPOS>MOLECULE
BindingDB_11935
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4974    4.1908   14.7649  C     
2    C        -2.4966    4.9892   13.4309  C     
3    N        -3.4212    6.0994   13.4513  N     
4    S        -5.0470    5.7368   13.7389  S     
5    O        -5.7824    6.8511   14.6045  O     
6    O        -5.8656    5.3825   12.4223  O     
7    C        -3.8441    3.7123   15.1688  C     
8    C        -5.0253    4.3556   14.7780  C     
9    C        -4.0739    2.5973   16.0041  C     
10   C        -5.4206    2.3336   16.2657  C     
11   S        -6.3642    3.5214   15.4603  S     
12   O        -5.9403   -0.3275   16.3215  O     
13   O        -5.1579    0.7326   18.4621  O     
14   S        -6.0563    1.0058   17.1802  S     
15   N        -7.6653    1.1242   17.6438  N     
16   C        -3.0214    7.3981   13.2919  C     
17   C        -2.0306    7.9527   14.1329  C     
18   C        -1.5922    9.2838   13.9558  C     
19   C        -2.1664   10.0794   12.9457  C     
20   C        -3.1580    9.5449   12.1051  C     
21   C        -3.5776    8.2127   12.2754  C     
22   O        -0.6401    9.8188   14.7875  O     
23   C         0.7019    9.6578   14.2896  C     
24   H        -1.8275    3.3343   14.6603  H     
25   H        -2.1112    4.8229   15.5643  H     
26   H        -1.4749    5.3150   13.2229  H     
27   H        -2.7818    4.3170   12.6198  H     
28   H        -3.3190    2.0131   16.3713  H     
29   H        -8.3702    0.9000   17.0070  H     
30   H        -7.8893    1.4396   18.5394  H     
31   H        -1.6157    7.3981   14.8853  H     
32   H        -1.8638   11.0488   12.8151  H     
33   H        -3.5641   10.1158   11.3634  H     
34   H        -4.2837    7.8254   11.6465  H     
35   H         0.9669    8.5988   14.1797  H     
36   H         1.3833   10.1034   15.0149  H     
37   H         0.8349   10.1694   13.3306  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    3   16 1
     6    4    5 2
     7    4    6 2
     8    4    8 1
     9    7    8 2
    10    7    9 1
    11    8   11 1
    12    9   10 2
    13   10   11 1
    14   10   14 1
    15   12   14 2
    16   13   14 2
    17   14   15 am
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    9   28 1
    31   15   29 1
    32   15   30 1
    33   17   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8573
  Crash		| -1.3963
  Polar		| 3.1069
  FragIndex	| 1
  FragRMSD	| 0.857