@<TRIPOS>MOLECULE
BindingDB_16504
 69 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.8328   18.5464   -8.8343  C     
2    C        10.1941   18.8329   -8.2159  C     
3    O        10.4420   19.6028   -9.1355  O     
4    C        11.2533   18.4684   -7.3075  C     
5    C        12.5025   17.7928   -7.8555  C     
6    C        13.7610   17.9382   -7.1513  C     
7    O        14.7368   18.2862   -7.8069  O     
8    N        13.8637   17.6828   -5.8486  N     
9    C        15.0746   17.6594   -5.0676  C     
10   C        15.1564   16.3320   -4.4461  C     
11   O        14.1678   15.9940   -3.7956  O     
12   C        15.1661   18.8411   -4.0276  C     
13   C        16.5112   18.7756   -3.2392  C     
14   O        11.4753   17.0601   -7.1713  O     
15   N         8.9888   18.3255   -8.0196  N     
16   C        14.9759   20.2455   -4.7076  C     
17   C        15.3683   21.4569   -3.8329  C     
18   C        18.4059   14.6286   -4.8310  C     
19   C        17.4365   15.7811   -5.1699  C     
20   C        16.2381   14.1913   -3.8435  C     
21   C        17.4649   13.4787   -4.4755  C     
22   N        16.2180   15.4941   -4.4693  N     
23   C        16.2954   14.2699   -2.3610  C     
24   O        17.4377   13.9884   -1.6690  O     
25   O        15.1677   14.6022   -1.6652  O     
26   C         7.0976   19.8633   -8.4835  C     
27   C         5.9050   20.1439   -9.4212  C     
28   C        14.9815   14.6709   -0.2425  C     
29   C        14.7105   16.0655    0.1698  C     
30   C        14.2867   18.7303    1.0152  C     
31   C        15.4702   18.3782    0.3303  C     
32   C        15.6788   17.0553   -0.0894  C     
33   C        13.5277   16.4213    0.8753  C     
34   C        13.3177   17.7509    1.2818  C     
35   H         8.1102   18.5401   -9.8907  H     
36   H         7.1499   17.7058   -8.6705  H     
37   H        11.3378   18.9878   -6.3544  H     
38   H        12.5230   17.5442   -8.9314  H     
39   H        13.0288   17.4840   -5.3831  H     
40   H        15.9168   17.7904   -5.7520  H     
41   H        14.3557   18.7161   -3.3051  H     
42   H        16.6707   17.7784   -2.8171  H     
43   H        16.5057   19.5092   -2.4313  H     
44   H        17.3541   18.9969   -3.8947  H     
45   H         8.8778   17.7106   -7.2821  H     
46   H        15.5317   20.2747   -5.6501  H     
47   H        13.9250   20.3654   -4.9616  H     
48   H        14.8217   21.4367   -2.8916  H     
49   H        15.1158   22.3832   -4.3538  H     
50   H        16.4475   21.4416   -3.6184  H     
51   H        19.0698   14.3747   -5.6657  H     
52   H        19.0166   14.9051   -3.9609  H     
53   H        17.8772   16.7322   -4.8448  H     
54   H        17.2624   15.8068   -6.2523  H     
55   H        15.3487   13.6112   -4.1322  H     
56   H        17.1605   12.9604   -5.3902  H     
57   H        17.9372   12.7495   -3.8086  H     
58   H         6.7288   19.7939   -7.4575  H     
59   H         7.7934   20.7048   -8.5294  H     
60   H         6.2573   20.2962  -10.4457  H     
61   H         5.3815   21.0433   -9.0938  H     
62   H         5.2003   19.3103   -9.4082  H     
63   H        14.1578   13.9948    0.0131  H     
64   H        15.8648   14.3055    0.2986  H     
65   H        14.1362   19.6954    1.3268  H     
66   H        16.1860   19.0909    0.1574  H     
67   H        16.5501   16.8138   -0.5691  H     
68   H        12.8260   15.7133    1.0905  H     
69   H        12.4638   17.9954    1.7881  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   28 1
    29   26   27 1
    30   28   29 1
    31   29   32 2
    32   29   33 1
    33   30   31 2
    34   30   34 1
    35   31   32 1
    36   33   34 2
    37    1   35 1
    38    1   36 1
    39    4   37 1
    40    5   38 1
    41    8   39 1
    42    9   40 1
    43   12   41 1
    44   13   42 1
    45   13   43 1
    46   13   44 1
    47   15   45 1
    48   16   46 1
    49   16   47 1
    50   17   48 1
    51   17   49 1
    52   17   50 1
    53   18   51 1
    54   18   52 1
    55   19   53 1
    56   19   54 1
    57   20   55 1
    58   21   56 1
    59   21   57 1
    60   26   58 1
    61   26   59 1
    62   27   60 1
    63   27   61 1
    64   27   62 1
    65   28   63 1
    66   28   64 1
    67   30   65 1
    68   31   66 1
    69   32   67 1
    70   33   68 1
    71   34   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2681
  Crash		| -1.9049
  Polar		| 3.0969
  FragIndex	| 1
  FragRMSD	| 0.713