@<TRIPOS>MOLECULE
BindingDB_31904
 65 68 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        31.4491   21.2213   10.7295  N     
2    N        29.2641   22.0811   14.6094  N     
3    N        32.1303   25.3971   16.3985  N     
4    N        23.8649   22.9894   12.1820  N     
5    C        30.8090   21.7298   12.0222  C     
6    C        30.5794   21.5879    9.5135  C     
7    C        32.8916   21.6958   10.5676  C     
8    C        31.4171   21.3558   13.4329  C     
9    C        31.4586   19.6853   10.7669  C     
10   C        30.3603   21.0878   14.5751  C     
11   C        30.4973   23.0370    8.9602  C     
12   C        33.2408   23.2042   10.4176  C     
13   C        27.9696   21.7221   14.2683  C     
14   C        29.5674   23.4099   14.8681  C     
15   C        27.0530   22.7036   13.8031  C     
16   C        28.6428   24.4425   14.5086  C     
17   C        27.4093   24.0840   13.8922  C     
18   C        27.4950   20.3793   14.4133  C     
19   C        30.7722   23.8122   15.5030  C     
20   C        29.0113   25.7774   14.7980  C     
21   C        25.8082   22.3726   13.2227  C     
22   C        26.4831   25.0254   13.3920  C     
23   C        31.0406   25.0982   15.7942  C     
24   C        30.1546   26.0769   15.4396  C     
25   C        24.9640   23.3279   12.7656  C     
26   C        25.3090   24.6445   12.8569  C     
27   C        27.9415   19.3372   13.5677  C     
28   C        26.4889   20.0923   15.3643  C     
29   C        27.4875   18.0150   13.7480  C     
30   C        25.9954   18.7789   15.5168  C     
31   C        26.5068   17.7386   14.7232  C     
32   H        32.2323   26.2386   16.7874  H     
33   H        32.7700   24.7412   16.5640  H     
34   H        23.3405   23.6334   11.7452  H     
35   H        23.5889   22.0983   12.1760  H     
36   H        30.7647   22.8186   11.9949  H     
37   H        29.7667   21.3951   12.0061  H     
38   H        30.8927   20.9966    8.6557  H     
39   H        29.5494   21.2955    9.7324  H     
40   H        33.4421   21.3651   11.4401  H     
41   H        33.3523   21.1885    9.7111  H     
42   H        32.0308   20.4560   13.3962  H     
43   H        32.0993   22.1531   13.7441  H     
44   H        32.2485   19.2779   11.4131  H     
45   H        31.6390   19.2254    9.7820  H     
46   H        30.5118   19.2681   11.1190  H     
47   H        30.8582   21.0226   15.5477  H     
48   H        30.0228   20.0703   14.4070  H     
49   H        30.6947   23.7848    9.7350  H     
50   H        29.4987   23.2002    8.5352  H     
51   H        31.1944   23.1981    8.1385  H     
52   H        32.9259   23.5909    9.4585  H     
53   H        34.3272   23.3377   10.4717  H     
54   H        32.7909   23.7927   11.2159  H     
55   H        31.4355   23.1428   15.8012  H     
56   H        28.4090   26.5326   14.5819  H     
57   H        25.5423   21.4226   13.1056  H     
58   H        26.6858   25.9928   13.3982  H     
59   H        30.3591   27.0303   15.6474  H     
60   H        24.6791   25.3452   12.5261  H     
61   H        28.6402   19.5202   12.8437  H     
62   H        26.1025   20.8386   15.9459  H     
63   H        27.8601   17.2549   13.1772  H     
64   H        25.2690   18.5753   16.2086  H     
65   H        26.1742   16.7762   14.8497  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    1    7 1
     4    1    9 1
     5    2   10 1
     6    2   13 1
     7    2   14 2
     8    3   23 1
     9    4   25 1
    10    5    8 1
    11    6   11 1
    12    7   12 1
    13    8   10 1
    14   13   15 2
    15   13   18 1
    16   14   16 1
    17   14   19 1
    18   15   17 1
    19   15   21 1
    20   16   17 2
    21   16   20 1
    22   17   22 1
    23   18   27 2
    24   18   28 1
    25   19   23 2
    26   20   24 2
    27   21   25 2
    28   22   26 2
    29   23   24 1
    30   25   26 1
    31   27   29 1
    32   28   30 2
    33   29   31 2
    34   30   31 1
    35    3   32 1
    36    3   33 1
    37    4   34 1
    38    4   35 1
    39    5   36 1
    40    5   37 1
    41    6   38 1
    42    6   39 1
    43    7   40 1
    44    7   41 1
    45    8   42 1
    46    8   43 1
    47    9   44 1
    48    9   45 1
    49    9   46 1
    50   10   47 1
    51   10   48 1
    52   11   49 1
    53   11   50 1
    54   11   51 1
    55   12   52 1
    56   12   53 1
    57   12   54 1
    58   19   55 1
    59   20   56 1
    60   21   57 1
    61   22   58 1
    62   24   59 1
    63   26   60 1
    64   27   61 1
    65   28   62 1
    66   29   63 1
    67   30   64 1
    68   31   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5936
  Crash		| -4.7293
  Polar		| 1.9740
  FragIndex	| 1
  FragRMSD	| 0.807