@<TRIPOS>MOLECULE
BindingDB_15276
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5154   13.8204    0.5706  C     
2    O         1.2786   14.4701    1.2861  O     
3    N         0.8004   13.5452   -0.7036  N     
4    N        -0.5690   13.4272    1.2035  N     
5    C         1.8332   13.9165   -1.5223  C     
6    C         2.9619   14.6844   -1.1285  C     
7    C         1.7495   13.5047   -2.8736  C     
8    C         3.9524   15.0824   -2.0440  C     
9    C         2.6923   13.9797   -3.8000  C     
10   C         3.7952   14.7790   -3.4238  C     
11   Cl        5.3159   15.8672   -1.3898  Cl    
12   N        -1.5821   11.9690   -0.4004  N     
13   N        -3.8237   11.8385    1.0847  N     
14   C        -1.6120   12.6653    0.7635  C     
15   C        -3.7926   11.1640   -0.0905  C     
16   C        -2.7750   12.5671    1.5460  C     
17   C        -2.6153   11.2184   -0.8640  C     
18   O        -2.4675   10.5719   -2.0646  O     
19   O         0.7699   12.6278   -3.2902  O     
20   C         1.2642   11.3694   -3.8282  C     
21   C        -1.9627   10.8713   -4.4996  C     
22   C        -2.4919   11.4817   -3.1776  C     
23   C         0.3839   10.1541   -3.4719  C     
24   C        -0.8299    9.8248   -4.3834  C     
25   C        -4.8486   10.5419   -0.5037  C     
26   N        -5.7980   10.0166   -0.8904  N     
27   N         4.6029   15.1363   -4.4583  N     
28   C         6.0101   15.3256   -4.4601  C     
29   C         6.4632   16.2261   -5.5440  C     
30   C         7.9871   16.7520   -7.3922  C     
31   C         7.3535   17.9993   -7.5797  C     
32   C         6.2916   18.3674   -6.7352  C     
33   C         5.8535   17.4947   -5.7219  C     
34   C         7.5509   15.8751   -6.3826  C     
35   H         0.1252   13.0143   -1.1519  H     
36   H        -0.6657   13.7552    2.1114  H     
37   H         3.0941   14.9576   -0.1618  H     
38   H         2.5826   13.7203   -4.7855  H     
39   H        -2.8413   13.0495    2.4487  H     
40   H         1.3669   11.4449   -4.9179  H     
41   H         2.2591   11.1440   -3.4241  H     
42   H        -2.8033   10.3886   -5.0146  H     
43   H        -1.6250   11.6859   -5.1435  H     
44   H        -3.5248   11.8117   -3.3282  H     
45   H        -1.8817   12.3742   -2.9794  H     
46   H         1.0341    9.2747   -3.5143  H     
47   H         0.0578   10.2463   -2.4352  H     
48   H        -1.2670    8.8971   -4.0124  H     
49   H        -0.4541    9.6182   -5.3884  H     
50   H         4.1603   15.2963   -5.3193  H     
51   H         6.2996   15.7153   -3.4636  H     
52   H         6.4970   14.3472   -4.5878  H     
53   H         8.7630   16.4990   -7.9904  H     
54   H         7.6679   18.6252   -8.3129  H     
55   H         5.8329   19.2751   -6.8592  H     
56   H         5.0861   17.7876   -5.1158  H     
57   H         8.0256   14.9805   -6.2604  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31   28   29 1
    32   29   33 1
    33   29   34 2
    34   30   31 2
    35   30   34 1
    36   31   32 1
    37   32   33 2
    38    3   35 1
    39    4   36 1
    40    6   37 1
    41    9   38 1
    42   16   39 1
    43   20   40 1
    44   20   41 1
    45   21   42 1
    46   21   43 1
    47   22   44 1
    48   22   45 1
    49   23   46 1
    50   23   47 1
    51   24   48 1
    52   24   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   30   53 1
    57   31   54 1
    58   32   55 1
    59   33   56 1
    60   34   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3122
  Crash		| -3.0978
  Polar		| 4.0468
  FragIndex	| 1
  FragRMSD	| 0.668