@<TRIPOS>MOLECULE
BindingDB_13500
 57 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8165   17.4893   78.7088  C     
2    C        16.9988   17.7924   78.0035  C     
3    C        18.2556   17.4780   78.5486  C     
4    C        18.3746   16.8320   79.7999  C     
5    C        17.1929   16.6339   80.5491  C     
6    C        15.9332   16.9588   80.0110  C     
7    C        19.7132   16.2960   80.1894  C     
8    C        21.8119   16.6431   81.2874  C     
9    C        20.7693   17.3581   80.5879  C     
10   N        21.4874   15.4552   81.7412  N     
11   O        19.2142   15.3056   82.9204  O     
12   O        22.9636   17.0423   81.3492  O     
13   C        14.4807   17.6595   78.0735  C     
14   C        13.7347   18.9562   78.4990  C     
15   C        14.4105   20.1683   77.9820  C     
16   C        15.0970   21.6954   76.5989  C     
17   C        15.2949   22.1359   77.9065  C     
18   C        15.9531   23.7888   75.7391  C     
19   C        15.4182   22.5049   75.4951  C     
20   C        15.8277   23.4105   78.1633  C     
21   C        16.1571   24.2380   77.0657  C     
22   N        14.8628   21.1837   78.7476  N     
23   N        14.5600   20.4757   76.6780  N     
24   S        19.8784   15.0587   81.4925  S     
25   O        19.8437   13.5738   80.9009  O     
26   N        12.3941   18.9026   78.0029  N     
27   S        11.2135   20.0390   78.4046  S     
28   O         9.8177   19.3721   78.0454  O     
29   O        11.1753   20.2386   79.9816  O     
30   C        11.4094   21.5152   77.5003  C     
31   C        11.7958   22.7104   78.1435  C     
32   C        11.2709   21.5004   76.0967  C     
33   C        11.5093   22.6684   75.3475  C     
34   C        11.8849   23.8585   75.9961  C     
35   C        12.0255   23.8812   77.3948  C     
36   H        16.9518   18.2061   77.0698  H     
37   H        19.0906   17.6647   77.9873  H     
38   H        17.2245   16.2057   81.4722  H     
39   H        15.0942   16.7554   80.5595  H     
40   H        20.0934   15.7705   79.3117  H     
41   H        21.1617   17.8648   79.7056  H     
42   H        20.3373   18.1006   81.2603  H     
43   H        22.1342   14.8361   82.1085  H     
44   H        14.5752   17.6382   76.9825  H     
45   H        13.8695   16.7901   78.3322  H     
46   H        13.6927   18.9982   79.5919  H     
47   H        16.1922   24.3976   74.9521  H     
48   H        15.2614   22.1727   74.5397  H     
49   H        15.9619   23.7335   79.1240  H     
50   H        16.5440   25.1702   77.2311  H     
51   H        14.2822   19.9275   75.9260  H     
52   H        12.2440   18.3914   77.1913  H     
53   H        11.9416   22.7341   79.1591  H     
54   H        11.0173   20.6369   75.6078  H     
55   H        11.4155   22.6504   74.3311  H     
56   H        12.0690   24.7058   75.4532  H     
57   H        12.3135   24.7404   77.8616  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   24 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   24 1
    15   11   24 2
    16   14   13 1
    17   14   15 1
    18   14   26 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   25 2
    30   26   27 1
    31   27   28 2
    32   27   29 2
    33   27   30 1
    34   30   31 1
    35   30   32 2
    36   31   35 2
    37   32   33 1
    38   33   34 2
    39   34   35 1
    40    2   36 1
    41    3   37 1
    42    5   38 1
    43    6   39 1
    44    7   40 1
    45    9   41 1
    46    9   42 1
    47   10   43 1
    48   13   44 1
    49   13   45 1
    50   14   46 1
    51   18   47 1
    52   19   48 1
    53   20   49 1
    54   21   50 1
    55   23   51 1
    56   26   52 1
    57   31   53 1
    58   32   54 1
    59   33   55 1
    60   34   56 1
    61   35   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2032
  Crash		| -1.9624
  Polar		| 5.9281
  FragIndex	| 1
  FragRMSD	| 0.485