@<TRIPOS>MOLECULE
BindingDB_13496
 60 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8511   17.4690   78.7050  C     
2    C        15.9819   17.1104   80.0644  C     
3    C        17.2400   16.7966   80.6108  C     
4    C        18.4105   16.8505   79.8183  C     
5    C        18.2818   17.3168   78.4879  C     
6    C        17.0234   17.6095   77.9334  C     
7    C        19.7377   16.3092   80.2432  C     
8    C        21.7916   16.5892   81.4319  C     
9    C        20.7683   17.3505   80.7500  C     
10   N        21.4727   15.3634   81.7678  N     
11   O        19.1744   15.1404   82.8732  O     
12   O        22.9232   17.0087   81.6140  O     
13   C        14.5031   17.6178   78.0904  C     
14   C        13.7490   18.9007   78.5411  C     
15   C        14.3954   20.1257   78.0161  C     
16   C        15.0508   21.6523   76.6192  C     
17   C        15.2248   22.1175   77.9208  C     
18   C        15.8377   23.7625   75.7393  C     
19   C        15.3515   22.4583   75.5089  C     
20   C        15.7143   23.4121   78.1633  C     
21   C        16.0201   24.2362   77.0590  C     
22   N        14.8136   21.1640   78.7701  N     
23   N        14.5501   20.4181   76.7099  N     
24   S        19.8738   14.9762   81.4536  S     
25   O        19.8401   13.5710   80.7076  O     
26   N        12.3968   18.8323   78.0807  N     
27   S        11.2419   20.0088   78.4381  S     
28   O         9.8222   19.3214   78.2329  O     
29   O        11.3130   20.3800   79.9833  O     
30   C        11.4119   21.3745   77.3713  C     
31   C        11.4662   22.6902   77.8759  C     
32   C        11.5963   21.1556   75.9897  C     
33   C        11.8344   22.2391   75.1246  C     
34   C        11.9010   23.5592   75.6253  C     
35   C        11.7108   23.7731   77.0101  C     
36   C        12.1783   24.6803   74.6992  C     
37   H        15.1509   17.0161   80.6512  H     
38   H        17.2705   16.4646   81.5736  H     
39   H        19.1056   17.3854   77.8863  H     
40   H        16.9667   17.8879   76.9505  H     
41   H        20.1638   15.8539   79.3419  H     
42   H        21.1968   17.9012   79.9075  H     
43   H        20.3133   18.0542   81.4516  H     
44   H        22.1011   14.7459   82.1707  H     
45   H        14.5811   17.6039   76.9980  H     
46   H        13.9070   16.7386   78.3534  H     
47   H        13.7359   18.9346   79.6351  H     
48   H        16.0570   24.3694   74.9467  H     
49   H        15.2071   22.1113   74.5586  H     
50   H        15.8305   23.7532   79.1194  H     
51   H        16.3698   25.1840   77.2148  H     
52   H        14.2961   19.8516   75.9642  H     
53   H        12.2259   18.2829   77.3005  H     
54   H        11.3599   22.8692   78.8775  H     
55   H        11.5799   20.2067   75.6065  H     
56   H        11.9725   22.0577   74.1267  H     
57   H        11.7639   24.7172   77.4005  H     
58   H        13.1274   24.5070   74.1860  H     
59   H        12.2411   25.6394   75.2196  H     
60   H        11.3821   24.7448   73.9553  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   34   36 1
    41    2   37 1
    42    3   38 1
    43    5   39 1
    44    6   40 1
    45    7   41 1
    46    9   42 1
    47    9   43 1
    48   10   44 1
    49   13   45 1
    50   13   46 1
    51   14   47 1
    52   18   48 1
    53   19   49 1
    54   20   50 1
    55   21   51 1
    56   23   52 1
    57   26   53 1
    58   31   54 1
    59   32   55 1
    60   33   56 1
    61   35   57 1
    62   36   58 1
    63   36   59 1
    64   36   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0510
  Crash		| -1.7913
  Polar		| 6.0909
  FragIndex	| 1
  FragRMSD	| 0.418