@<TRIPOS>MOLECULE
BindingDB_11391
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.9602    3.8214   14.5993  C     
2    C        -2.7427    4.9953   13.9562  C     
3    N        -3.5835    6.0750   14.1253  N     
4    C        -3.1751    7.3732   13.9726  C     
5    C        -3.2283    7.9896   12.7047  C     
6    C        -2.8096    9.3224   12.5438  C     
7    C        -2.3479   10.0569   13.6521  C     
8    C        -2.3020    9.4599   14.9288  C     
9    C        -2.7154    8.1198   15.0852  C     
10   S        -5.1693    5.9315   14.7166  S     
11   O        -5.4354    6.8492   15.9921  O     
12   O        -6.3045    6.0229   13.6032  O     
13   C        -4.1208    3.4871   15.2922  C     
14   C        -5.2156    4.3516   15.3734  C     
15   C        -4.3638    2.2547   15.9346  C     
16   C        -5.6377    2.1319   16.5029  C     
17   S        -6.4984    3.5952   16.2188  S     
18   N        -7.9873    0.8195   17.2490  N     
19   S        -6.3120    0.7682   17.3225  S     
20   O        -5.9445   -0.5466   16.5091  O     
21   O        -5.8284    0.6055   18.8297  O     
22   C        -1.5740    5.1342   13.0561  C     
23   C        -1.5794    2.9654   10.5616  C     
24   C        -1.3333    2.7782   12.0843  C     
25   C         0.5517    4.3373   11.9396  C     
26   C         0.2814    4.5003   10.4170  C     
27   N        -0.6818    3.9638   12.7201  N     
28   O        -0.3556    3.3243    9.8895  O     
29   O        -1.9251   10.2128   16.0108  O     
30   C        -0.5289   10.0911   16.3332  C     
31   H        -2.2587    3.1254   14.5570  H     
32   H        -3.5721    7.4705   11.8914  H     
33   H        -2.8548    9.7651   11.6200  H     
34   H        -2.0615   11.0306   13.5273  H     
35   H        -2.6962    7.6960   16.0148  H     
36   H        -3.6713    1.4994   15.9726  H     
37   H        -8.4382    0.1755   16.6874  H     
38   H        -8.4454    1.6382   17.4939  H     
39   H        -1.9437    5.5501   12.1162  H     
40   H        -0.9384    5.8897   13.5247  H     
41   H        -1.9303    2.0327   10.1216  H     
42   H        -2.3377    3.7284   10.3834  H     
43   H        -2.2748    2.5332   12.5700  H     
44   H        -0.6844    1.9106   12.2125  H     
45   H         1.2870    3.5395   12.0736  H     
46   H         1.0066    5.2486   12.3270  H     
47   H        -0.3420    5.3780   10.2351  H     
48   H         1.2344    4.6406    9.9008  H     
49   H        -0.3092    3.6408   13.6117  H     
50   H        -0.2995    9.0827   16.6852  H     
51   H        -0.3059   10.8005   17.1329  H     
52   H         0.1093   10.3442   15.4819  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   13 1
     3    2    3 1
     4    2   22 1
     5    3    4 1
     6    3   10 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    6    7 2
    11    7    8 1
    12    8    9 2
    13    8   29 1
    14   10   11 2
    15   10   12 2
    16   10   14 1
    17   13   14 2
    18   13   15 1
    19   14   17 1
    20   15   16 2
    21   16   17 1
    22   16   19 1
    23   18   19 am
    24   19   20 2
    25   19   21 2
    26   22   27 1
    27   23   24 1
    28   23   28 1
    29   24   27 1
    30   25   26 1
    31   25   27 1
    32   26   28 1
    33   29   30 1
    34    1   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    9   35 1
    39   15   36 1
    40   18   37 1
    41   18   38 1
    42   22   39 1
    43   22   40 1
    44   23   41 1
    45   23   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8287
  Crash		| -2.3107
  Polar		| 3.9036
  FragIndex	| 1
  FragRMSD	| 1.026