@<TRIPOS>MOLECULE
BindingDB_50028911
 66 69 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.0013   53.6028   16.9087  C     
2    C        27.6372   44.2143   17.1970  C     
3    C        26.7839   43.5496   16.2770  C     
4    C        25.0820   54.6705   16.7041  C     
5    N        28.1128   52.5816   17.9830  N     
6    N        28.3503   44.8180   19.4756  N     
7    C        27.7676   43.7544   18.6143  C     
8    C        27.1285   53.7207   17.8899  C     
9    C        28.3933   45.3449   16.7639  C     
10   C        25.8091   52.3782   16.2080  C     
11   C        26.6848   44.0414   14.9511  C     
12   C        24.0064   54.5128   15.7944  C     
13   C        24.7308   52.2300   15.3126  C     
14   C        28.2488   45.8320   15.4537  C     
15   C        27.4153   45.1756   14.5468  C     
16   C        23.8419   53.2931   15.1004  C     
17   C        26.7235   51.2318   16.4017  C     
18   C        29.3465   46.0653   17.6440  C     
19   Cl       25.2515   56.1368   17.5621  Cl    
20   Cl       25.8891   42.1728   16.7408  Cl    
21   C        27.4204   51.2752   17.7807  C     
22   C        29.6641   45.2851   18.9341  C     
23   Cl       25.7158   43.3052   13.7772  Cl    
24   Cl       22.8747   55.7437   15.4695  Cl    
25   C        28.3157   44.5396   20.9361  C     
26   C        28.9394   52.6604   19.2411  C     
27   C        29.6570   51.3759   19.7558  C     
28   C        28.0917   45.8270   21.7665  C     
29   C        28.7232   47.1113   21.1437  C     
30   C        28.7888   48.2964   22.1305  C     
31   C        29.5091   49.5898   21.6483  C     
32   C        28.7624   50.3797   20.5550  C     
33   H        28.7622   52.6906   17.1968  H     
34   H        27.7004   45.5921   19.3457  H     
35   H        26.7646   43.5347   19.0001  H     
36   H        28.3718   42.8374   18.6587  H     
37   H        27.7101   54.6142   17.6335  H     
38   H        26.6644   53.8860   18.8718  H     
39   H        24.5889   51.3469   14.8018  H     
40   H        28.7759   46.6500   15.1479  H     
41   H        27.3579   45.5260   13.5883  H     
42   H        23.0625   53.1690   14.4439  H     
43   H        26.1750   50.2819   16.3228  H     
44   H        27.4834   51.2651   15.6154  H     
45   H        30.2857   46.2620   17.1189  H     
46   H        28.8941   47.0241   17.9085  H     
47   H        28.1193   50.4451   17.7914  H     
48   H        26.6836   51.1118   18.5746  H     
49   H        30.2009   45.9661   19.5940  H     
50   H        30.3322   44.4386   18.7179  H     
51   H        27.4739   43.8719   21.1501  H     
52   H        29.2459   44.0496   21.2469  H     
53   H        29.7414   53.3860   19.0561  H     
54   H        28.3231   53.0587   20.0576  H     
55   H        30.1184   50.8565   18.9111  H     
56   H        30.4769   51.7092   20.3994  H     
57   H        27.0169   45.9849   21.8887  H     
58   H        28.4907   45.6681   22.7657  H     
59   H        29.7332   46.9394   20.7783  H     
60   H        28.1132   47.4054   20.2813  H     
61   H        27.7596   48.5534   22.4032  H     
62   H        29.2972   47.9343   23.0269  H     
63   H        29.6166   50.2443   22.5174  H     
64   H        30.5106   49.3554   21.2797  H     
65   H        27.9550   50.9373   21.0292  H     
66   H        28.3135   49.6614   19.8701  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   26 1
    14    6    7 1
    15    6   22 1
    16    6   25 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   32 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35   31   32 1
    36    5   33 1
    37    6   34 1
    38    7   35 1
    39    7   36 1
    40    8   37 1
    41    8   38 1
    42   13   39 1
    43   14   40 1
    44   15   41 1
    45   16   42 1
    46   17   43 1
    47   17   44 1
    48   18   45 1
    49   18   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   25   51 1
    55   25   52 1
    56   26   53 1
    57   26   54 1
    58   27   55 1
    59   27   56 1
    60   28   57 1
    61   28   58 1
    62   29   59 1
    63   29   60 1
    64   30   61 1
    65   30   62 1
    66   31   63 1
    67   31   64 1
    68   32   65 1
    69   32   66 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.4320
  Crash		| -8.2631
  Polar		| 0.0024
  FragIndex	| 1
  FragRMSD	| 1.093