@<TRIPOS>MOLECULE
BindingDB_13530
 70 74 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.4319    1.7069   10.8799  C     
2    O         0.2803    0.8176   10.4068  O     
3    C        -0.6911    2.8631   10.1419  C     
4    C        -1.3319    3.9878   10.7318  C     
5    C        -0.2930    2.9850    8.7865  C     
6    C        -1.5820    5.1559    9.9924  C     
7    C        -0.5576    4.1540    8.0373  C     
8    C        -1.2034    5.2587    8.6396  C     
9    N        -1.0782    1.4650   12.0242  N     
10   C        -1.4598    6.5184    7.8705  C     
11   N        -2.6414    6.4671    6.9433  N     
12   N        -4.8126    8.3487    7.6481  N     
13   C        -3.5517    8.8460    7.0145  C     
14   C        -3.9248    6.0043    7.5624  C     
15   C        -4.6058    7.0928    8.4289  C     
16   C        -2.8625    7.7383    6.1749  C     
17   C        -5.4997    9.4031    8.4510  C     
18   C         0.3980   -0.9410   14.4717  C     
19   C        -0.7517   -1.7567   14.7142  C     
20   C        -1.9669   -1.4609   14.0591  C     
21   C        -2.0713   -0.3788   13.1684  C     
22   C        -0.9422    0.4071   12.8744  C     
23   C         0.2783    0.1230   13.5316  C     
24   C        -0.7073   -2.9238   15.6490  C     
25   N         1.5360   -1.2154   15.1918  N     
26   N         3.6488   -1.1648   16.1100  N     
27   N         3.2636    0.2060   14.2694  N     
28   C         2.7970   -0.7159   15.1578  C     
29   C         5.4213    0.1962   15.2680  C     
30   C         4.9377   -0.7426   16.1941  C     
31   C         4.5355    0.6937   14.2779  C     
32   N         4.8503    2.5804   11.0924  N     
33   C         5.4992    3.7132   11.4663  C     
34   C         4.5438    1.5885   11.9744  C     
35   C         4.9027    1.6984   13.3409  C     
36   C         5.8867    3.8908   12.7996  C     
37   C         5.5899    2.8724   13.7403  C     
38   H        -1.6231    3.9709   11.7114  H     
39   H         0.1939    2.2194    8.3216  H     
40   H        -2.0599    5.9347   10.4584  H     
41   H        -0.2666    4.1944    7.0601  H     
42   H        -1.7804    2.0924   12.2523  H     
43   H        -1.5718    7.3759    8.5451  H     
44   H        -0.5489    6.7101    7.3011  H     
45   H        -2.4052    5.7745    6.2301  H     
46   H        -5.4538    8.1127    6.8861  H     
47   H        -3.7929    9.6797    6.3435  H     
48   H        -2.8552    9.2128    7.7734  H     
49   H        -4.6098    5.7189    6.7573  H     
50   H        -3.7763    5.1073    8.1691  H     
51   H        -3.9966    7.2893    9.3188  H     
52   H        -5.5738    6.7076    8.7646  H     
53   H        -1.9178    8.1148    5.7682  H     
54   H        -3.5004    7.5152    5.3177  H     
55   H        -4.8892    9.7037    9.3121  H     
56   H        -6.4610    9.0323    8.8135  H     
57   H        -5.6957   10.2842    7.8347  H     
58   H        -2.8041   -2.0279   14.2288  H     
59   H        -2.9699   -0.1827   12.7180  H     
60   H         1.0610    0.7368   13.3300  H     
61   H         0.0589   -3.6354   15.3362  H     
62   H        -1.6585   -3.4595   15.6944  H     
63   H        -0.4805   -2.5720   16.6601  H     
64   H         1.4096   -1.8880   15.8859  H     
65   H         6.3959    0.4910   15.3107  H     
66   H         5.5433   -1.1214   16.9245  H     
67   H         5.7107    4.4268   10.7620  H     
68   H         4.0594    0.7594   11.6256  H     
69   H         6.3686    4.7449   13.0966  H     
70   H         5.8441    3.0290   14.7206  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    9 am
     4    3    4 2
     5    3    5 1
     6    4    6 1
     7    5    7 2
     8    6    8 2
     9    7    8 1
    10    8   10 1
    11    9   22 1
    12   10   11 1
    13   11   14 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   12   17 1
    18   13   16 1
    19   14   15 1
    20   18   19 1
    21   18   23 2
    22   18   25 1
    23   19   20 2
    24   19   24 1
    25   20   21 1
    26   21   22 2
    27   22   23 1
    28   25   28 1
    29   26   28 2
    30   26   30 1
    31   27   28 1
    32   27   31 2
    33   29   30 2
    34   29   31 1
    35   31   35 1
    36   32   33 2
    37   32   34 1
    38   33   36 1
    39   34   35 2
    40   35   37 1
    41   36   37 2
    42    4   38 1
    43    5   39 1
    44    6   40 1
    45    7   41 1
    46    9   42 1
    47   10   43 1
    48   10   44 1
    49   11   45 1
    50   12   46 1
    51   13   47 1
    52   13   48 1
    53   14   49 1
    54   14   50 1
    55   15   51 1
    56   15   52 1
    57   16   53 1
    58   16   54 1
    59   17   55 1
    60   17   56 1
    61   17   57 1
    62   20   58 1
    63   21   59 1
    64   23   60 1
    65   24   61 1
    66   24   62 1
    67   24   63 1
    68   25   64 1
    69   29   65 1
    70   30   66 1
    71   33   67 1
    72   34   68 1
    73   36   69 1
    74   37   70 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9079
  Crash		| -0.6001
  Polar		| 2.8883
  FragIndex	| 1
  FragRMSD	| 0.873