@<TRIPOS>MOLECULE
BindingDB_50028914
 63 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.1748   52.7063   19.1826  C     
2    C        29.0561   44.3868   17.1857  C     
3    C        28.3421   43.7507   16.1349  C     
4    C        28.3913   52.5989   17.9952  C     
5    N        30.9671   51.8993   20.7704  N     
6    N        29.9043   44.6470   19.4869  N     
7    C        29.3906   43.6817   18.4685  C     
8    C        30.0726   51.5916   19.6100  C     
9    C        29.4757   45.7369   17.0073  C     
10   C        29.0482   53.8661   20.0083  C     
11   C        27.9512   44.5133   14.9944  C     
12   C        27.5523   53.6753   17.5946  C     
13   C        28.2202   54.9287   19.5781  C     
14   C        29.0021   46.4933   15.9205  C     
15   C        28.2450   45.8884   14.9176  C     
16   C        27.4872   54.8409   18.3873  C     
17   C        29.7492   53.9934   21.3134  C     
18   C        30.4390   46.3958   17.9148  C     
19   Cl       28.4237   51.1771   17.0435  Cl    
20   Cl       28.0007   42.0805   16.2046  Cl    
21   C        30.2550   52.6327   21.8569  C     
22   C        31.0618   45.4072   18.9186  C     
23   Cl       27.1829   43.8360   13.6446  Cl    
24   Cl       26.5952   53.6324   16.1891  Cl    
25   C        31.8724   50.7760   21.2029  C     
26   C        30.0760   44.1423   20.8815  C     
27   C        29.6012   45.2155   21.9096  C     
28   C        31.3141   49.3367   21.3309  C     
29   C        30.2966   49.1289   22.4957  C     
30   C        29.7322   47.6866   22.7017  C     
31   C        30.0481   46.6607   21.5961  C     
32   H        31.6110   52.5971   20.4037  H     
33   H        29.1502   45.3379   19.5670  H     
34   H        28.4763   43.2288   18.8634  H     
35   H        30.1164   42.8864   18.2792  H     
36   H        29.4302   50.7299   19.8385  H     
37   H        30.7228   51.3217   18.7646  H     
38   H        28.1255   55.7742   20.1445  H     
39   H        29.2798   47.4683   15.8282  H     
40   H        27.9730   46.4374   14.0924  H     
41   H        26.8945   55.6309   18.0952  H     
42   H        30.5960   54.6693   21.1691  H     
43   H        29.0744   54.4299   22.0590  H     
44   H        31.2518   46.8495   17.3313  H     
45   H        29.8842   47.1699   18.4536  H     
46   H        29.3890   52.0731   22.2032  H     
47   H        30.9151   52.8170   22.7079  H     
48   H        31.6282   45.9715   19.6500  H     
49   H        31.7707   44.7332   18.4284  H     
50   H        32.6706   50.7345   20.4528  H     
51   H        32.3432   51.0633   22.1481  H     
52   H        29.4723   43.2423   21.0545  H     
53   H        31.1188   43.8741   21.0768  H     
54   H        28.5126   45.1953   21.9701  H     
55   H        29.9893   44.9369   22.8934  H     
56   H        30.8119   49.0527   20.3948  H     
57   H        32.1726   48.6385   21.4481  H     
58   H        30.7765   49.4362   23.4263  H     
59   H        29.4506   49.7960   22.3181  H     
60   H        30.1562   47.2933   23.6187  H     
61   H        28.6336   47.7200   22.8194  H     
62   H        31.1236   46.6162   21.4772  H     
63   H        29.5826   47.0520   20.6789  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    8 1
     3    1   10 1
     4    2    3 2
     5    2    7 1
     6    2    9 1
     7    3   11 1
     8    3   20 1
     9    4   12 1
    10    4   19 1
    11    5    8 1
    12    5   21 1
    13    5   25 1
    14    6    7 1
    15    6   22 1
    16    6   26 1
    17    9   14 2
    18    9   18 1
    19   10   13 2
    20   10   17 1
    21   11   15 2
    22   11   23 1
    23   12   16 2
    24   12   24 1
    25   13   16 1
    26   14   15 1
    27   17   21 1
    28   18   22 1
    29   25   28 1
    30   26   27 1
    31   27   31 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35    5   32 1
    36    6   33 1
    37    7   34 1
    38    7   35 1
    39    8   36 1
    40    8   37 1
    41   13   38 1
    42   14   39 1
    43   15   40 1
    44   16   41 1
    45   17   42 1
    46   17   43 1
    47   18   44 1
    48   18   45 1
    49   21   46 1
    50   21   47 1
    51   22   48 1
    52   22   49 1
    53   25   50 1
    54   25   51 1
    55   26   52 1
    56   26   53 1
    57   27   54 1
    58   27   55 1
    59   28   56 1
    60   28   57 1
    61   29   58 1
    62   29   59 1
    63   30   60 1
    64   30   61 1
    65   31   62 1
    66   31   63 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.6771
  Crash		| -8.9814
  Polar		| 0.1302
  FragIndex	| 1
  FragRMSD	| 1.243