@<TRIPOS>MOLECULE
BindingDB_50209232
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.8397   14.5651  107.1861  C     
2    C        20.7482   15.4799  107.1828  C     
3    C        20.9293   16.6852  106.4354  C     
4    C        22.1240   16.9510  105.7366  C     
5    C        23.1767   16.0281  105.7600  C     
6    C        23.0321   14.8333  106.4827  C     
7    F        24.0198   13.9816  106.5094  F     
8    F        20.0161   17.6154  106.3151  F     
9    C        19.5667   15.2030  107.9242  C     
10   C        18.4736   16.1212  108.1148  C     
11   N        17.5515   15.4793  109.0163  N     
12   C        17.9926   14.1223  109.2790  C     
13   C        19.2328   14.0634  108.5362  C     
14   C        16.4246   16.0336  109.5196  C     
15   C        18.3599   13.8875  110.7379  C     
16   C        17.8949   12.7653  111.4754  C     
17   C        18.2455   12.5645  112.8196  C     
18   C        19.0809   13.4829  113.4719  C     
19   C        19.5772   14.5924  112.7693  C     
20   C        19.2140   14.7935  111.4193  C     
21   C        16.9195   13.1150  108.6853  C     
22   C        15.9308   13.5549  107.5552  C     
23   C        16.5085   13.6145  106.1120  C     
24   N        16.2267   12.4022  105.3064  N     
25   O        15.9534   15.4335  110.4946  O     
26   N        15.7080   17.0993  109.1036  N     
27   C        15.8759   17.6742  107.7876  C     
28   C        14.5947   17.5951  109.9019  C     
29   C        15.0246   12.4306  104.4367  C     
30   C        15.1875   13.3383  103.1821  C     
31   F        14.5693   14.5540  103.3545  F     
32   H        21.7978   13.6924  107.7139  H     
33   H        22.2316   17.8210  105.2045  H     
34   H        24.0441   16.2259  105.2570  H     
35   H        18.8351   17.0506  108.5553  H     
36   H        18.0132   16.2833  107.1450  H     
37   H        19.7809   13.2353  108.5171  H     
38   H        17.3090   12.0449  111.0375  H     
39   H        17.9013   11.7457  113.3257  H     
40   H        19.3586   13.3213  114.4437  H     
41   H        20.2042   15.2488  113.2388  H     
42   H        19.6180   15.5971  110.9336  H     
43   H        17.4318   12.2064  108.3481  H     
44   H        16.2698   12.8089  109.5121  H     
45   H        15.0918   12.8604  107.5676  H     
46   H        15.5093   14.5280  107.8053  H     
47   H        16.1364   14.5098  105.5987  H     
48   H        17.5929   13.7075  106.1423  H     
49   H        17.0396   12.2540  104.7057  H     
50   H        16.1562   11.6071  105.9495  H     
51   H        16.8187   18.2133  107.7261  H     
52   H        15.0877   18.3835  107.5105  H     
53   H        15.8426   16.8925  107.0304  H     
54   H        13.7972   16.8477  109.9264  H     
55   H        14.1627   18.5301  109.5321  H     
56   H        14.9301   17.7877  110.9197  H     
57   H        14.8534   11.4049  104.0997  H     
58   H        14.1443   12.7226  105.0198  H     
59   H        16.2420   13.5221  102.9608  H     
60   H        14.7433   12.8579  102.3041  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   24   29 1
    30   26   27 1
    31   26   28 1
    32   29   30 1
    33   30   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   23   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
    60   29   58 1
    61   30   59 1
    62   30   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4391
  Crash		| -2.4869
  Polar		| 2.9721
  FragIndex	| 1
  FragRMSD	| 1.169