@<TRIPOS>MOLECULE
BindingDB_50028910
 60 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.1495   52.1000   20.4814  C     
2    C        28.9575   44.3280   16.9771  C     
3    C        28.3212   43.7518   15.8450  C     
4    C        28.5303   52.5286   19.2694  C     
5    N        30.1297   50.3264   21.9729  N     
6    N        29.6753   44.3297   19.3855  N     
7    C        29.1985   43.5376   18.2085  C     
8    C        29.8762   50.7944   20.5743  C     
9    C        29.3535   45.6920   16.9458  C     
10   C        29.0963   52.9479   21.6225  C     
11   C        28.0362   44.5674   14.7226  C     
12   C        27.8264   53.7614   19.2229  C     
13   C        28.3873   54.1683   21.5623  C     
14   C        28.9903   46.5009   15.8566  C     
15   C        28.3386   45.9397   14.7471  C     
16   C        27.7591   54.5649   20.3719  C     
17   C        29.7521   52.5810   22.9055  C     
18   C        30.1642   46.3066   18.0231  C     
19   Cl       28.6092   51.5670   17.8689  Cl    
20   Cl       27.9058   42.1055   15.8227  Cl    
21   C        30.7619   51.4189   22.7647  C     
22   C        30.7580   45.2738   19.0027  C     
23   Cl       27.3298   43.9499   13.3109  Cl    
24   Cl       27.0492   54.3328   17.8235  Cl    
25   C        30.8064   48.9832   22.0563  C     
26   C        29.9980   43.5067   20.5927  C     
27   C        30.1644   44.4342   21.8270  C     
28   C        29.9455   47.7974   21.5084  C     
29   C        29.2845   46.8295   22.5455  C     
30   C        28.9492   45.3755   22.0763  C     
31   H        29.2108   50.2019   22.3946  H     
32   H        28.8749   44.9162   19.6408  H     
33   H        28.2319   43.1110   18.4767  H     
34   H        29.9013   42.7319   17.9872  H     
35   H        29.2716   50.0299   20.0903  H     
36   H        30.8242   50.8828   20.0354  H     
37   H        28.3395   54.7837   22.3769  H     
38   H        29.2549   47.4900   15.8378  H     
39   H        28.1192   46.5380   13.9421  H     
40   H        27.2683   55.4599   20.3419  H     
41   H        30.2728   53.4467   23.3276  H     
42   H        28.9704   52.2898   23.6120  H     
43   H        31.0012   46.8482   17.5793  H     
44   H        29.5382   47.0173   18.5721  H     
45   H        31.0211   51.0908   23.7735  H     
46   H        31.6703   51.7836   22.2742  H     
47   H        31.1795   45.8114   19.8529  H     
48   H        31.5765   44.7226   18.5313  H     
49   H        31.7710   49.0084   21.5371  H     
50   H        31.0078   48.7650   23.0999  H     
51   H        29.2129   42.7681   20.8023  H     
52   H        30.9296   42.9470   20.4406  H     
53   H        30.3039   43.8185   22.7161  H     
54   H        31.0706   45.0197   21.6954  H     
55   H        29.1222   48.2348   20.9421  H     
56   H        30.5462   47.2139   20.8051  H     
57   H        29.8775   46.7850   23.4689  H     
58   H        28.3163   47.2776   22.8252  H     
59   H        28.2991   45.4032   21.1946  H     
60   H        28.3278   44.9094   22.8528  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   30 1
    32   28   29 1
    33   29   30 1
    34    5   31 1
    35    6   32 1
    36    7   33 1
    37    7   34 1
    38    8   35 1
    39    8   36 1
    40   13   37 1
    41   14   38 1
    42   15   39 1
    43   16   40 1
    44   17   41 1
    45   17   42 1
    46   18   43 1
    47   18   44 1
    48   21   45 1
    49   21   46 1
    50   22   47 1
    51   22   48 1
    52   25   49 1
    53   25   50 1
    54   26   51 1
    55   26   52 1
    56   27   53 1
    57   27   54 1
    58   28   55 1
    59   28   56 1
    60   29   57 1
    61   29   58 1
    62   30   59 1
    63   30   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.3675
  Crash		| -9.3771
  Polar		| 1.5048
  FragIndex	| 1
  FragRMSD	| 1.261