@<TRIPOS>MOLECULE
BindingDB_50209230
 57 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.2874   16.1282  106.5316  C     
2    C        21.2894   15.0724  107.4884  C     
3    C        22.4241   14.2077  107.4791  C     
4    C        23.4423   14.3487  106.5164  C     
5    C        23.3708   15.3582  105.5456  C     
6    C        22.3025   16.2656  105.5684  C     
7    F        22.2483   17.2365  104.6959  F     
8    F        22.6340   13.2926  108.3932  F     
9    C        20.1812   14.9099  108.3563  C     
10   C        19.1321   15.8879  108.5792  C     
11   N        18.1351   15.2364  109.4027  N     
12   C        18.5116   13.8399  109.6029  C     
13   C        19.8149   13.7819  108.9768  C     
14   C        17.0083   15.7919  109.9202  C     
15   C        18.6767   13.5145  111.0822  C     
16   C        19.4957   14.3443  111.8951  C     
17   C        19.6713   14.1012  113.2725  C     
18   C        18.9954   13.0318  113.8888  C     
19   C        18.1565   12.2122  113.1189  C     
20   C        17.9976   12.4486  111.7351  C     
21   C        17.5858   12.8592  108.7817  C     
22   C        17.5360   12.9453  107.2194  C     
23   C        16.2782   13.5957  106.5545  C     
24   N        15.0223   13.1295  107.1831  N     
25   O        16.3244   15.0139  110.5905  O     
26   N        16.5097   17.0571  109.8570  N     
27   C        17.0488   18.1082  109.0206  C     
28   C        15.3308   17.4102  110.6577  C     
29   C        16.2700   13.2889  105.0148  C     
30   F        15.5657   12.1353  104.7273  F     
31   F        15.7012   14.3222  104.3028  F     
32   H        20.5376   16.8225  106.5104  H     
33   H        24.2542   13.7280  106.5200  H     
34   H        24.1170   15.4631  104.8541  H     
35   H        19.5559   16.7540  109.0859  H     
36   H        18.6758   16.1702  107.6266  H     
37   H        20.3251   12.9309  108.9110  H     
38   H        19.9792   15.1512  111.4794  H     
39   H        20.2861   14.7083  113.8228  H     
40   H        19.1108   12.8718  114.8956  H     
41   H        17.6574   11.4457  113.5829  H     
42   H        17.3636   11.8238  111.2260  H     
43   H        17.9096   11.8429  109.0339  H     
44   H        16.5578   12.9511  109.1463  H     
45   H        18.4250   13.4744  106.8409  H     
46   H        17.6113   11.9198  106.8261  H     
47   H        16.3465   14.6885  106.6770  H     
48   H        15.1539   12.1521  107.4763  H     
49   H        14.2430   13.1971  106.4887  H     
50   H        14.8206   13.7228  108.0012  H     
51   H        18.0389   18.3986  109.3717  H     
52   H        16.4445   19.0208  109.0061  H     
53   H        17.0880   17.7538  107.9926  H     
54   H        14.4599   16.8343  110.3094  H     
55   H        15.0548   18.4741  110.6259  H     
56   H        15.5167   17.1672  111.7155  H     
57   H        17.2996   13.1416  104.6528  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    3    8 1
     7    4    5 1
     8    5    6 2
     9    6    7 1
    10    9   10 1
    11    9   13 2
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 1
    16   12   15 1
    17   12   21 1
    18   14   25 2
    19   14   26 am
    20   15   16 2
    21   15   20 1
    22   16   17 1
    23   17   18 2
    24   18   19 1
    25   19   20 2
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   23   29 1
    30   26   27 1
    31   26   28 1
    32   29   30 1
    33   29   31 1
    34    1   32 1
    35    4   33 1
    36    5   34 1
    37   10   35 1
    38   10   36 1
    39   13   37 1
    40   16   38 1
    41   17   39 1
    42   18   40 1
    43   19   41 1
    44   20   42 1
    45   21   43 1
    46   21   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   24   48 1
    51   24   49 1
    52   24   50 1
    53   27   51 1
    54   27   52 1
    55   27   53 1
    56   28   54 1
    57   28   55 1
    58   28   56 1
    59   29   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9218
  Crash		| -2.1734
  Polar		| 2.7651
  FragIndex	| 1
  FragRMSD	| 0.514