@<TRIPOS>MOLECULE
BindingDB_14773
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.9468    0.8380  -10.7153  C     
2    C         2.2299    0.6547  -10.1502  C     
3    C         2.6061    1.1778   -8.8797  C     
4    C         1.5490    1.7646   -8.1389  C     
5    C         0.2395    1.8875   -8.6499  C     
6    C        -0.0737    1.4594   -9.9615  C     
7    O        -1.3036    1.5582  -10.5680  O     
8    C        -2.3621    2.3517  -10.0035  C     
9    O         0.5955    0.3782  -11.9637  O     
10   C         1.6069   -0.0472  -12.9079  C     
11   C         0.9035   -0.4095  -14.2364  C     
12   C         0.8111    0.9121  -15.0279  C     
13   C         1.7850    1.9087  -14.3538  C     
14   C         2.5740    1.0719  -13.3396  C     
15   C         4.6883    2.5770   -8.2956  C     
16   C         4.2321    3.4679   -7.1220  C     
17   C         4.3835    2.7671   -5.7373  C     
18   C         3.8042    1.3205   -5.6907  C     
19   C         4.1937    0.4666   -6.9305  C     
20   C         4.0431    1.1422   -8.3410  C     
21   C         4.8819    0.4197   -9.1887  C     
22   N         5.5674   -0.1802   -9.8921  N     
23   C         3.8117    3.5809   -4.6334  C     
24   O         4.5909    4.4648   -3.9587  O     
25   O         2.4688    3.6775   -4.4742  O     
26   H         2.9085    0.1364  -10.7076  H     
27   H         1.6862    2.1150   -7.1956  H     
28   H        -0.4836    2.2986   -8.0620  H     
29   H        -2.7038    1.9256   -9.0594  H     
30   H        -3.2012    2.3486  -10.6996  H     
31   H        -2.0302    3.3789   -9.8474  H     
32   H         2.1557   -0.9109  -12.5171  H     
33   H         1.5076   -1.1388  -14.7844  H     
34   H        -0.0852   -0.8345  -14.0611  H     
35   H         1.1036    0.7492  -16.0693  H     
36   H        -0.2055    1.3118  -15.0051  H     
37   H         2.4620    2.3675  -15.0749  H     
38   H         1.2224    2.6910  -13.8258  H     
39   H         2.9053    1.6774  -12.4941  H     
40   H         3.4560    0.6331  -13.8202  H     
41   H         4.4798    3.1036   -9.2283  H     
42   H         5.7793    2.5029   -8.2135  H     
43   H         4.8767    4.3581   -7.1194  H     
44   H         3.2297    3.8281   -7.3132  H     
45   H         5.4542    2.6767   -5.5422  H     
46   H         4.1786    0.8196   -4.7936  H     
47   H         2.7214    1.3282   -5.5821  H     
48   H         5.2328    0.1780   -6.7492  H     
49   H         3.6115   -0.4575   -6.9163  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    9 1
     4    2    3 2
     5    3    4 1
     6    3   20 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7    8 1
    11    9   10 1
    12   10   11 1
    13   10   14 1
    14   11   12 1
    15   12   13 1
    16   13   14 1
    17   15   16 1
    18   15   20 1
    19   16   17 1
    20   17   18 1
    21   17   23 1
    22   18   19 1
    23   19   20 1
    24   20   21 1
    25   21   22 3
    26   23   24 2
    27   23   25 1
    28    2   26 1
    29    4   27 1
    30    5   28 1
    31    8   29 1
    32    8   30 1
    33    8   31 1
    34   10   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   13   37 1
    40   13   38 1
    41   14   39 1
    42   14   40 1
    43   15   41 1
    44   15   42 1
    45   16   43 1
    46   16   44 1
    47   17   45 1
    48   18   46 1
    49   18   47 1
    50   19   48 1
    51   19   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9401
  Crash		| -2.0246
  Polar		| 3.5524
  FragIndex	| 1
  FragRMSD	| 1.186