@<TRIPOS>MOLECULE
BindingDB_15667
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.5872   32.4538   59.9984  C     
2    C         7.3313   34.0789   59.0638  C     
3    C         8.2655   34.8232   59.8560  C     
4    N         7.4607   32.7656   59.1706  N     
5    C         6.5761   31.7790   58.5547  C     
6    C         4.1134   30.9804   58.3537  C     
7    C         4.5493   29.5174   58.6165  C     
8    C         6.0082   29.2791   58.1487  C     
9    C         6.9892   30.2872   58.7917  C     
10   C         5.0931   31.9893   59.0096  C     
11   O         6.4419   34.6585   58.4512  O     
12   C         9.3743   33.7790   60.1006  C     
13   C        10.2255   33.9156   61.2783  C     
14   O        10.1971   34.9407   61.9486  O     
15   N        11.1054   32.9549   61.5354  N     
16   C        12.1775   32.9993   62.3783  C     
17   C        14.4266   33.8311   62.8955  C     
18   C        13.2632   33.8677   62.1085  C     
19   C        12.2946   32.0626   63.4308  C     
20   C        13.4698   32.0194   64.2071  C     
21   C        14.5336   32.9026   63.9454  C     
22   Cl       15.9170   32.8896   64.9190  Cl    
23   Cl       11.0159   31.0229   63.8398  Cl    
24   H         8.2423   32.0958   60.9815  H     
25   H         9.2332   31.6991   59.5381  H     
26   H         8.6552   35.6901   59.3204  H     
27   H         7.7855   35.1453   60.7860  H     
28   H         6.6241   31.9444   57.4722  H     
29   H         4.0695   31.1598   57.2719  H     
30   H         3.1087   31.1350   58.7646  H     
31   H         4.4702   29.3000   59.6877  H     
32   H         3.8795   28.8357   58.0857  H     
33   H         6.3120   28.2631   58.4247  H     
34   H         6.0678   29.3651   57.0565  H     
35   H         7.9822   30.1148   58.3671  H     
36   H         7.0422   30.0844   59.8645  H     
37   H         5.0361   31.8956   60.0971  H     
38   H         4.7508   32.9910   58.7379  H     
39   H        10.0540   33.8334   59.2380  H     
40   H        10.9645   32.1105   61.0758  H     
41   H        15.1946   34.4724   62.6917  H     
42   H        13.2259   34.5137   61.3175  H     
43   H        13.5473   31.3529   64.9753  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   19   23 1
    24   20   21 2
    25   21   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   17   41 1
    44   18   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4887
  Crash		| -1.5303
  Polar		| 0.0661
  FragIndex	| 1
  FragRMSD	| 1.216