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


@<TRIPOS>ATOM
1    C        21.1631   16.0238  106.3320  C     
2    C        21.2372   15.0948  107.4122  C     
3    C        22.3964   14.2653  107.4681  C     
4    C        23.3879   14.3298  106.4707  C     
5    C        23.2576   15.2230  105.3941  C     
6    C        22.1535   16.0813  105.3337  C     
7    F        22.0438   16.9306  104.3472  F     
8    F        22.6277   13.4566  108.4634  F     
9    C        20.1605   14.9780  108.3217  C     
10   C        19.1708   15.9845  108.6337  C     
11   N        18.1628   15.3259  109.4199  N     
12   C        18.5042   13.9097  109.5693  C     
13   C        19.7935   13.8443  108.9216  C     
14   C        17.0411   15.8944  109.9375  C     
15   C        18.7042   13.5302  111.0268  C     
16   C        18.1265   12.3802  111.6366  C     
17   C        18.2597   12.1278  113.0156  C     
18   C        19.0106   12.9893  113.8270  C     
19   C        19.6358   14.1020  113.2488  C     
20   C        19.4870   14.3665  111.8726  C     
21   C        17.5205   13.0015  108.7149  C     
22   C        17.0964   13.5773  107.3237  C     
23   C        16.4590   12.5794  106.3133  C     
24   N        16.4355   13.0518  104.9068  N     
25   O        16.3290   15.0974  110.5551  O     
26   N        16.5581   17.1653  109.9037  N     
27   C        15.2842   17.4738  110.5456  C     
28   C        17.2147   18.2754  109.2284  C     
29   C        16.0535   14.4601  104.6358  C     
30   C        17.2693   15.3714  104.3144  C     
31   F        17.0507   16.6593  104.7581  F     
32   H        20.3626   16.6512  106.2266  H     
33   H        24.2072   13.7241  106.5175  H     
34   H        23.9759   15.2507  104.6677  H     
35   H        19.6575   16.7847  109.1862  H     
36   H        18.7184   16.3604  107.7226  H     
37   H        20.2687   12.9781  108.8094  H     
38   H        17.5928   11.6979  111.0898  H     
39   H        17.7985   11.3101  113.4239  H     
40   H        19.1005   12.7941  114.8251  H     
41   H        20.1934   14.7215  113.8372  H     
42   H        19.9582   15.1938  111.4952  H     
43   H        17.9867   12.0221  108.5677  H     
44   H        16.5831   12.8468  109.2547  H     
45   H        16.3480   14.3709  107.5201  H     
46   H        17.9658   14.0380  106.8370  H     
47   H        17.0272   11.6521  106.3269  H     
48   H        15.4419   12.3427  106.6317  H     
49   H        17.3538   12.8665  104.5034  H     
50   H        15.7663   12.4606  104.4210  H     
51   H        14.4902   16.8973  110.0701  H     
52   H        14.9842   18.5246  110.5101  H     
53   H        15.3203   17.1928  111.6009  H     
54   H        18.1907   18.4714  109.6756  H     
55   H        16.6735   19.2231  109.2954  H     
56   H        17.3112   18.0655  108.1615  H     
57   H        15.3891   14.4695  103.7645  H     
58   H        15.4820   14.8846  105.4693  H     
59   H        18.1726   14.9944  104.7971  H     
60   H        17.4470   15.3999  103.2338  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	| 9.6140
  Crash		| -1.7947
  Polar		| 1.7509
  FragIndex	| 1
  FragRMSD	| 0.446