@<TRIPOS>MOLECULE
BindingDB_29027
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.0482   34.9867   38.1540  C     
2    C        38.4784   33.7616   38.6794  C     
3    C        38.6717   32.6303   37.8563  C     
4    C        38.3949   32.7580   36.4770  C     
5    C        37.9149   33.9736   35.9485  C     
6    C        37.7364   35.1049   36.7804  C     
7    C        39.1169   31.4217   38.4661  C     
8    N        37.2693   36.3229   36.3821  N     
9    C        37.3479   36.9858   35.2378  C     
10   C        36.9670   38.2986   35.2481  C     
11   O        37.7938   36.4761   34.2179  O     
12   C        37.3638   39.1556   36.2238  C     
13   C        36.1535   38.6704   34.3336  C     
14   N        35.4336   39.0120   33.5090  N     
15   C        36.8530   40.5056   36.4145  C     
16   O        38.2858   38.7754   37.1075  O     
17   C        38.5199   30.1588   38.2115  C     
18   C        38.8132   29.0679   39.0584  C     
19   C        39.7155   29.1985   40.1235  C     
20   C        40.3652   30.4205   40.3331  C     
21   C        40.0796   31.5147   39.5039  C     
22   Cl       38.0051   36.3020   39.2315  Cl    
23   Cl       37.4131   29.8973   36.9490  Cl    
24   H        38.6619   33.7012   39.6847  H     
25   H        38.5354   31.9614   35.8479  H     
26   H        37.6911   34.0153   34.9532  H     
27   H        36.9030   36.8516   37.1050  H     
28   H        37.1191   41.1186   35.5545  H     
29   H        37.2706   40.9739   37.3076  H     
30   H        35.7670   40.4832   36.5261  H     
31   H        39.1140   38.7414   36.5906  H     
32   H        38.3635   28.1658   38.9185  H     
33   H        39.9190   28.3979   40.7259  H     
34   H        41.0350   30.5177   41.0966  H     
35   H        40.5493   32.4026   39.6965  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   17   23 1
    22   18   19 2
    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   18   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.3867
  Crash		| -7.8972
  Polar		| 3.7584
  FragIndex	| 1
  FragRMSD	| 0.622