@<TRIPOS>MOLECULE
BindingDB_50267362
 53 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.6581   24.2140   14.9901  C     
2    C        32.8839   23.3454   14.5105  C     
3    C        32.4670   21.9014   14.1239  C     
4    C        31.7982   21.1753   15.3187  C     
5    C        30.8674   22.0482   16.0594  C     
6    O        30.8485   23.3970   15.8748  O     
7    C        35.2082   31.3101   17.3211  C     
8    C        34.7234   32.3298   16.4876  C     
9    C        33.9712   31.9890   15.3533  C     
10   C        34.9171   29.9663   17.0294  C     
11   C        34.1109   29.5961   15.9189  C     
12   C        33.6699   30.6398   15.0491  C     
13   C        32.8388   30.3801   13.8426  C     
14   C        32.6751   28.8883   13.4585  C     
15   C        33.8055   28.1477   15.6107  C     
16   C        32.5072   28.0116   14.7295  C     
17   C        33.3543   25.7135   16.4861  C     
18   C        33.7494   27.1782   16.8462  C     
19   C        32.0236   25.6065   15.6592  C     
20   C        32.2163   26.5113   14.3968  C     
21   C        31.0051   26.1597   13.5106  C     
22   C        30.7615   24.6525   13.7750  C     
23   C        30.8309   26.0558   16.5987  C     
24   O        34.9956   33.6337   16.7430  O     
25   O        30.0430   21.5109   16.9863  O     
26   H        33.3988   23.8173   13.6695  H     
27   H        33.6032   23.2364   15.3234  H     
28   H        31.7755   21.9233   13.2764  H     
29   H        33.3496   21.3396   13.8056  H     
30   H        31.2560   20.3037   14.9488  H     
31   H        32.5673   20.8296   16.0147  H     
32   H        35.7797   31.5358   18.1373  H     
33   H        33.6340   32.7394   14.7451  H     
34   H        35.3096   29.2570   17.6531  H     
35   H        31.8447   30.8008   14.0252  H     
36   H        33.2650   30.9027   12.9816  H     
37   H        31.8038   28.7884   12.8054  H     
38   H        33.5526   28.5579   12.8951  H     
39   H        34.6525   27.8057   15.0084  H     
40   H        31.6531   28.4120   15.2821  H     
41   H        34.1933   25.3093   15.9159  H     
42   H        33.2731   25.1212   17.4016  H     
43   H        34.7368   27.1198   17.3108  H     
44   H        33.0663   27.5811   17.5968  H     
45   H        33.0983   26.1643   13.8417  H     
46   H        30.1327   26.7502   13.8040  H     
47   H        31.2147   26.3473   12.4537  H     
48   H        30.9881   24.0913   12.8638  H     
49   H        29.7007   24.4909   13.9907  H     
50   H        29.8656   25.9848   16.0950  H     
51   H        30.9242   27.0791   16.9543  H     
52   H        30.7843   25.4165   17.4825  H     
53   H        34.7542   33.7785   17.6963  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   19 1
     4    1   22 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    5    6 1
     9    5   25 2
    10    7    8 2
    11    7   10 1
    12    8    9 1
    13    8   24 1
    14    9   12 2
    15   10   11 2
    16   11   12 1
    17   11   15 1
    18   12   13 1
    19   13   14 1
    20   14   16 1
    21   15   16 1
    22   15   18 1
    23   16   20 1
    24   17   18 1
    25   17   19 1
    26   19   20 1
    27   19   23 1
    28   20   21 1
    29   21   22 1
    30    2   26 1
    31    2   27 1
    32    3   28 1
    33    3   29 1
    34    4   30 1
    35    4   31 1
    36    7   32 1
    37    9   33 1
    38   10   34 1
    39   13   35 1
    40   13   36 1
    41   14   37 1
    42   14   38 1
    43   15   39 1
    44   16   40 1
    45   17   41 1
    46   17   42 1
    47   18   43 1
    48   18   44 1
    49   20   45 1
    50   21   46 1
    51   21   47 1
    52   22   48 1
    53   22   49 1
    54   23   50 1
    55   23   51 1
    56   23   52 1
    57   24   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3430
  Crash		| -0.3497
  Polar		| 1.1196
  FragIndex	| 1
  FragRMSD	| 0.089