@<TRIPOS>MOLECULE
BindingDB_18783
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.2876   11.8038   36.8743  C     
2    C        90.3270   12.1184   35.4978  C     
3    C        89.1974   12.6487   34.8317  C     
4    C        88.0009   12.8114   35.5709  C     
5    C        87.9394   12.4524   36.9335  C     
6    C        89.0787   11.9510   37.5891  C     
7    C        89.2470   12.9920   33.4443  C     
8    C        88.4174   12.3250   32.5014  C     
9    C        89.3867   13.5281   30.7073  C     
10   C        90.1538   13.9705   32.9240  C     
11   N        87.5402   11.3532   32.8220  N     
12   N        89.5118   13.7827   29.3941  N     
13   N        88.5110   12.6064   31.1775  N     
14   N        90.1739   14.1806   31.5822  N     
15   C        91.1352   14.7709   33.6986  C     
16   C        91.0004   16.2988   33.4892  C     
17   Cl       91.7122   11.2540   37.6237  Cl    
18   Cl       88.9473   11.5493   39.2358  Cl    
19   H        91.2023   11.9884   34.9845  H     
20   H        87.1637   13.1897   35.1264  H     
21   H        87.0582   12.5704   37.4458  H     
22   H        87.0441   10.9130   32.1117  H     
23   H        87.4156   11.0748   33.7428  H     
24   H        90.1847   14.4195   29.0866  H     
25   H        88.9696   13.3020   28.7481  H     
26   H        91.0723   14.5740   34.7658  H     
27   H        92.1365   14.4747   33.3689  H     
28   H        91.1723   16.5591   32.4481  H     
29   H        91.7494   16.8108   34.0964  H     
30   H        90.0088   16.6463   33.7893  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   17 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6   18 1
    10    7    8 1
    11    7   10 2
    12    8   11 1
    13    8   13 2
    14    9   12 1
    15    9   13 1
    16    9   14 2
    17   10   14 1
    18   10   15 1
    19   15   16 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1622
  Crash		| -0.7863
  Polar		| 2.7056
  FragIndex	| 1
  FragRMSD	| 0.612