@<TRIPOS>MOLECULE
BindingDB_50028905
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2097   44.2331   17.2810  C     
2    C        28.3896   43.8030   16.1863  C     
3    N        30.3996   43.8196   19.5461  N     
4    C        29.5659   43.3061   18.3973  C     
5    C        29.6787   45.5670   17.3062  C     
6    C        28.0034   44.7361   15.1879  C     
7    C        29.2612   46.4815   16.3118  C     
8    C        28.4010   46.0752   15.2752  C     
9    C        30.5534   46.0842   18.3607  C     
10   Cl       27.8983   42.1830   16.0412  Cl    
11   C        31.2589   44.9860   19.1816  C     
12   Cl       27.0486   44.3251   13.8405  Cl    
13   C        29.7454   43.9002   20.8908  C     
14   C        31.2423   50.8791   22.5860  C     
15   C        30.8214   49.7413   21.7127  C     
16   C        32.3564   51.6840   22.2366  C     
17   C        30.5323   51.2085   23.7697  C     
18   C        28.7396   45.0668   21.1636  C     
19   C        30.2055   48.5297   22.4830  C     
20   C        30.0888   47.2324   21.6255  C     
21   C        29.1929   46.1053   22.2270  C     
22   C        30.9470   52.2683   24.5994  C     
23   C        32.7633   52.7541   23.0528  C     
24   C        32.0636   53.0434   24.2399  C     
25   H        31.0830   43.0669   19.6971  H     
26   H        28.6420   42.8578   18.7805  H     
27   H        30.1437   42.4927   17.9603  H     
28   H        29.5739   47.4533   16.3226  H     
29   H        28.1163   46.7684   14.5645  H     
30   H        31.3221   46.7149   17.9245  H     
31   H        29.8912   46.7046   18.9617  H     
32   H        31.7298   45.4302   20.0612  H     
33   H        32.0821   44.5894   18.5780  H     
34   H        29.2296   42.9542   21.0622  H     
35   H        30.5458   43.9047   21.6408  H     
36   H        30.0815   50.1291   21.0042  H     
37   H        31.6690   49.3793   21.1279  H     
38   H        32.8787   51.4927   21.3785  H     
39   H        29.7113   50.6717   24.0505  H     
40   H        28.5601   45.6439   20.2568  H     
41   H        27.7849   44.6406   21.4783  H     
42   H        30.8052   48.3383   23.3718  H     
43   H        29.2068   48.8229   22.8087  H     
44   H        29.7019   47.5003   20.6544  H     
45   H        31.1028   46.8524   21.4671  H     
46   H        28.2847   46.5627   22.6386  H     
47   H        29.7327   45.6227   23.0484  H     
48   H        30.4323   52.4789   25.4598  H     
49   H        33.5721   53.3181   22.7906  H     
50   H        32.3655   53.8161   24.8408  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2    6 1
     5    2   10 1
     6    3    4 1
     7    3   11 1
     8    3   13 1
     9    5    7 2
    10    5    9 1
    11    6    8 2
    12    6   12 1
    13    7    8 1
    14    9   11 1
    15   13   18 1
    16   14   15 1
    17   14   16 2
    18   14   17 1
    19   15   19 1
    20   16   23 1
    21   17   22 2
    22   18   21 1
    23   19   20 1
    24   20   21 1
    25   22   24 1
    26   23   24 2
    27    3   25 1
    28    4   26 1
    29    4   27 1
    30    7   28 1
    31    8   29 1
    32    9   30 1
    33    9   31 1
    34   11   32 1
    35   11   33 1
    36   13   34 1
    37   13   35 1
    38   15   36 1
    39   15   37 1
    40   16   38 1
    41   17   39 1
    42   18   40 1
    43   18   41 1
    44   19   42 1
    45   19   43 1
    46   20   44 1
    47   20   45 1
    48   21   46 1
    49   21   47 1
    50   22   48 1
    51   23   49 1
    52   24   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2953
  Crash		| -4.4121
  Polar		| 0.0794
  FragIndex	| 1
  FragRMSD	| 0.921