@<TRIPOS>MOLECULE
BindingDB_14361
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.5802    1.5835  -10.3057  C     
2    N         5.8031    2.0068   -6.8903  N     
3    C         5.2411    3.1173   -6.4821  C     
4    C         2.4074    1.4865   -7.9762  C     
5    C         2.6312    1.6489   -9.3647  C     
6    C         3.5092    1.6378   -6.9736  C     
7    O         1.9690    1.7811  -11.6124  O     
8    C         3.8165    3.1144   -6.6121  C     
9    C         0.2505    1.4111   -9.8371  C     
10   C         4.8881    1.0368   -7.3573  C     
11   O         5.8768    4.0862   -6.0975  O     
12   C         1.0855    1.2437   -7.5425  C     
13   C         0.0239    1.2075   -8.4589  C     
14   C         1.1765    1.3531  -12.7365  C     
15   O        -0.8117    1.4037  -10.7073  O     
16   C        -1.9385    2.2037  -10.3050  C     
17   C         1.8868    1.7244  -14.0469  C     
18   C         0.9395   -0.1658  -12.9018  C     
19   C         0.7219   -0.3905  -14.4172  C     
20   C         1.1084    0.9334  -15.1120  C     
21   H         6.7649    1.8802   -6.9184  H     
22   H         3.5798    1.8358   -9.7004  H     
23   H         3.2174    1.1445   -6.0371  H     
24   H         3.3382    3.3996   -5.6706  H     
25   H         3.5244    3.8212   -7.3939  H     
26   H         5.0212    0.9054   -8.4329  H     
27   H         5.0633    0.0816   -6.8554  H     
28   H         0.8765    1.1186   -6.5484  H     
29   H        -0.9252    1.0515   -8.1121  H     
30   H         0.2195    1.8819  -12.7245  H     
31   H        -2.4789    1.7292   -9.4839  H     
32   H        -2.6179    2.2880  -11.1537  H     
33   H        -1.6387    3.2100  -10.0028  H     
34   H         1.8633    2.8011  -14.2276  H     
35   H         2.9275    1.3887  -14.0206  H     
36   H         1.8175   -0.7210  -12.5574  H     
37   H         0.0696   -0.4917  -12.3288  H     
38   H         1.3524   -1.2099  -14.7737  H     
39   H        -0.3231   -0.6378  -14.6279  H     
40   H         0.2057    1.4831  -15.3972  H     
41   H         1.7151    0.7678  -16.0041  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    7 1
     3    1    9 1
     4    2    3 1
     5    2   10 1
     6    3    8 1
     7    3   11 2
     8    4    5 1
     9    4    6 1
    10    4   12 2
    11    6    8 1
    12    6   10 1
    13    7   14 1
    14    9   13 2
    15    9   15 1
    16   12   13 1
    17   14   17 1
    18   14   18 1
    19   15   16 1
    20   17   20 1
    21   18   19 1
    22   19   20 1
    23    2   21 1
    24    5   22 1
    25    6   23 1
    26    8   24 1
    27    8   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6996
  Crash		| -1.0107
  Polar		| 1.9624
  FragIndex	| 1
  FragRMSD	| 0.646