@<TRIPOS>MOLECULE
BindingDB_18930
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.0558   18.4016   31.0883  C     
2    C         4.6203   19.4456   31.9351  C     
3    C         5.5348   20.0546   32.8284  C     
4    C         6.8890   19.6674   32.8106  C     
5    C         7.3454   18.6557   31.9345  C     
6    C         6.4117   18.0215   31.0872  C     
7    C         8.7829   18.2736   31.8811  C     
8    C         9.3059   17.8724   33.1941  C     
9    O        10.4138   18.4613   33.6938  O     
10   O         8.6130   17.0225   33.9858  O     
11   O         3.3077   19.8242   31.8714  O     
12   C         3.0601   21.0689   31.3363  C     
13   C         2.0554   21.8053   31.9790  C     
14   C         1.6574   23.0787   31.5171  C     
15   C         2.3059   23.6447   30.3902  C     
16   C         3.3296   22.9156   29.7461  C     
17   C         3.6901   21.6319   30.2005  C     
18   O         1.9257   24.8612   29.9104  O     
19   Cl        3.9715   17.5992   30.0585  Cl    
20   Cl        5.0507   21.2638   33.9204  Cl    
21   C         0.5840   23.7134   32.1779  C     
22   C        -0.2887   25.4400   33.6747  C     
23   C        -1.5444   24.8087   33.6678  C     
24   C        -1.7425   23.6297   32.9291  C     
25   C        -0.6782   23.0766   32.2028  C     
26   C         0.7696   24.9104   32.9122  C     
27   O        -0.0904   26.5382   34.4423  O     
28   H         7.5477   20.1308   33.4416  H     
29   H         6.7258   17.2902   30.4469  H     
30   H         8.9576   17.4446   31.1839  H     
31   H         9.3447   19.1310   31.5022  H     
32   H         1.6020   21.3998   32.7995  H     
33   H         3.8017   23.3225   28.9372  H     
34   H         4.4200   21.1153   29.6998  H     
35   H         2.1913   24.8789   28.9660  H     
36   H        -2.3122   25.1788   34.2286  H     
37   H        -2.6429   23.1448   32.9502  H     
38   H        -0.8267   22.1857   31.7183  H     
39   H         1.6864   25.3678   32.9376  H     
40   H        -0.6870   26.4320   35.2260  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   19 1
     4    2    3 1
     5    2   11 1
     6    3    4 2
     7    3   20 1
     8    4    5 1
     9    5    6 2
    10    5    7 1
    11    7    8 1
    12    8    9 2
    13    8   10 1
    14   11   12 1
    15   12   13 1
    16   12   17 2
    17   13   14 2
    18   14   15 1
    19   14   21 1
    20   15   16 2
    21   15   18 1
    22   16   17 1
    23   21   25 2
    24   21   26 1
    25   22   23 1
    26   22   26 2
    27   22   27 1
    28   23   24 2
    29   24   25 1
    30    4   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34   13   32 1
    35   16   33 1
    36   17   34 1
    37   18   35 1
    38   23   36 1
    39   24   37 1
    40   25   38 1
    41   26   39 1
    42   27   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3901
  Crash		| -3.7820
  Polar		| 6.1715
  FragIndex	| 1
  FragRMSD	| 0.991