@<TRIPOS>MOLECULE
BindingDB_29032
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.3091   33.7861   36.1378  C     
2    C        38.6169   32.5617   36.7706  C     
3    C        38.3628   32.3767   38.1405  C     
4    C        37.7610   33.4255   38.8605  C     
5    C        37.5003   34.6590   38.2609  C     
6    C        37.7709   34.8675   36.8947  C     
7    C        38.9528   31.3212   38.8699  C     
8    N        37.6345   36.1742   36.5057  N     
9    C        37.3366   36.7181   35.3232  C     
10   C        37.0507   38.0871   35.2124  C     
11   O        37.0819   35.9260   34.4089  O     
12   C        37.3525   39.0865   36.0899  C     
13   C        36.4561   38.4398   34.1352  C     
14   N        35.9470   38.7248   33.1440  N     
15   C        36.8881   40.4784   35.9734  C     
16   O        38.1682   38.8765   37.1186  O     
17   C        38.3932   30.0311   38.9751  C     
18   C        38.9320   29.0914   39.8814  C     
19   C        40.0635   29.4241   40.6479  C     
20   C        40.6381   30.6938   40.5223  C     
21   C        40.1059   31.6279   39.6242  C     
22   Cl       38.8130   33.9142   34.5296  Cl    
23   Cl       38.2105   27.5902   40.1450  Cl    
24   H        39.1162   31.8355   36.2469  H     
25   H        37.6033   33.3288   39.8591  H     
26   H        37.1417   35.4134   38.8519  H     
27   H        37.6470   36.7915   37.2538  H     
28   H        37.3278   40.9302   35.0777  H     
29   H        37.1749   41.0791   36.8314  H     
30   H        35.7960   40.5019   35.8930  H     
31   H        39.0587   38.8352   36.7047  H     
32   H        37.5706   29.7782   38.4237  H     
33   H        40.4718   28.7465   41.2953  H     
34   H        41.4391   30.9519   41.0873  H     
35   H        40.5473   32.5443   39.5487  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    6    8 1
    10    7   17 2
    11    7   21 1
    12    8    9 am
    13    9   10 1
    14    9   11 2
    15   10   12 2
    16   10   13 1
    17   12   15 1
    18   12   16 1
    19   13   14 3
    20   17   18 1
    21   18   19 2
    22   18   23 1
    23   19   20 1
    24   20   21 2
    25    2   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29   15   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   17   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6111
  Crash		| -7.4928
  Polar		| 4.5768
  FragIndex	| 1
  FragRMSD	| 0.721