@<TRIPOS>MOLECULE
BindingDB_15249
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.6542   10.7467  -20.0550  C     
2    O        -3.1692   11.4297  -20.9462  O     
3    N        -2.9385    9.8038  -19.4367  N     
4    N        -4.9434   10.9725  -19.8453  N     
5    C        -1.6029    9.4853  -19.5829  C     
6    C        -0.6162   10.4192  -19.9957  C     
7    C        -1.1875    8.1624  -19.2715  C     
8    C         0.7222   10.0335  -20.1940  C     
9    C         0.1572    7.7787  -19.4878  C     
10   C         1.0996    8.7024  -19.9513  C     
11   Cl        1.8699   11.1575  -20.7319  Cl    
12   N        -5.4116    9.5273  -17.9698  N     
13   N        -7.9644   10.3724  -17.9461  N     
14   C        -5.7878   10.4229  -18.9214  C     
15   C        -7.5731    9.4877  -16.9992  C     
16   C        -7.1305   10.8476  -18.9024  C     
17   C        -6.2390    9.0279  -17.0070  C     
18   O        -5.8152    8.1696  -16.0159  O     
19   O        -2.1243    7.2300  -18.8780  O     
20   C        -1.8698    6.5911  -17.6064  C     
21   C        -4.4926    7.5977  -16.0726  C     
22   C        -8.4354    9.1319  -16.0932  C     
23   N        -9.1963    8.8163  -15.2980  N     
24   C        -3.0674    5.7113  -17.1714  C     
25   C        -4.4348    6.4305  -17.0856  C     
26   H        -3.4357    9.2136  -18.8438  H     
27   H        -5.3411   11.6701  -20.3918  H     
28   H        -0.8624   11.4018  -20.1471  H     
29   H         0.4478    6.8143  -19.3362  H     
30   H         2.0682    8.4067  -20.1089  H     
31   H        -7.4861   11.5169  -19.5937  H     
32   H        -0.9999    5.9396  -17.6841  H     
33   H        -1.6641    7.3337  -16.8313  H     
34   H        -3.7493    8.3656  -16.2995  H     
35   H        -4.2694    7.2040  -15.0777  H     
36   H        -3.1660    4.8925  -17.8855  H     
37   H        -2.8397    5.2704  -16.1969  H     
38   H        -5.1854    5.6968  -16.7814  H     
39   H        -4.7095    6.7963  -18.0791  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   12   14 1
    15   12   17 2
    16   13   15 2
    17   13   16 1
    18   14   16 2
    19   15   17 1
    20   15   22 1
    21   17   18 1
    22   18   21 1
    23   19   20 1
    24   20   24 1
    25   21   25 1
    26   22   23 3
    27   24   25 1
    28    3   26 1
    29    4   27 1
    30    6   28 1
    31    9   29 1
    32   10   30 1
    33   16   31 1
    34   20   32 1
    35   20   33 1
    36   21   34 1
    37   21   35 1
    38   24   36 1
    39   24   37 1
    40   25   38 1
    41   25   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7581
  Crash		| -1.0825
  Polar		| 1.9474
  FragIndex	| 1
  FragRMSD	| 0.850