@<TRIPOS>MOLECULE
BindingDB_18931
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.8728   18.4833   31.2373  C     
2    C         4.4308   19.5333   32.0729  C     
3    C         5.3579   20.1824   32.9192  C     
4    C         6.7178   19.8219   32.8725  C     
5    C         7.1783   18.7987   32.0088  C     
6    C         6.2350   18.1306   31.1991  C     
7    C         8.6175   18.4331   31.9660  C     
8    C         9.0870   17.9348   33.2705  C     
9    O         8.4689   16.8760   33.8412  O     
10   O        10.2290   18.4122   33.8212  O     
11   O         3.1032   19.8736   32.0551  O     
12   C         2.8225   21.0478   31.3947  C     
13   C         2.0746   22.0144   32.0904  C     
14   C         1.7638   23.2599   31.4987  C     
15   C         2.1848   23.5284   30.1767  C     
16   C         2.9104   22.5522   29.4670  C     
17   C         3.2246   21.3178   30.0673  C     
18   O         1.9198   24.7324   29.5991  O     
19   Cl        3.7845   17.6215   30.2548  Cl    
20   Cl        4.8859   21.4014   33.9982  Cl    
21   C         1.0709   24.2272   32.2490  C     
22   C        -0.9029   25.6246   32.6118  C     
23   C        -0.3590   26.0632   33.8311  C     
24   C         0.9160   25.6339   34.2370  C     
25   C         1.6226   24.7096   33.4584  C     
26   C        -0.1856   24.7135   31.8183  C     
27   O        -1.0515   26.8996   34.6348  O     
28   H         7.3827   20.3077   33.4831  H     
29   H         6.5419   17.3867   30.5706  H     
30   H         8.8127   17.6494   31.2316  H     
31   H         9.1948   19.3093   31.6667  H     
32   H         1.7599   21.7980   33.0391  H     
33   H         3.2131   22.7490   28.5105  H     
34   H         3.7567   20.6246   29.5418  H     
35   H         2.3869   24.7441   28.7344  H     
36   H        -1.8220   25.9467   32.3024  H     
37   H         1.3240   25.9667   35.1100  H     
38   H         2.5391   24.3868   33.7882  H     
39   H        -0.6123   24.3763   30.9528  H     
40   H        -1.1523   26.4107   35.4828  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   23   24 2
    28   23   27 1
    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   22   36 1
    39   24   37 1
    40   25   38 1
    41   26   39 1
    42   27   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0683
  Crash		| -4.2133
  Polar		| 6.1815
  FragIndex	| 1
  FragRMSD	| 0.509