@<TRIPOS>MOLECULE
BindingDB_50220328
 57 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.1345   15.8556  108.6043  C     
2    N        18.1505   15.2345  109.4501  N     
3    C        18.5282   13.8519  109.6873  C     
4    C        19.8479   13.7821  109.0841  C     
5    C        20.2001   14.8896  108.4260  C     
6    C        21.2551   15.0068  107.4966  C     
7    C        22.4290   14.1980  107.5238  C     
8    C        23.4272   14.2967  106.5316  C     
9    C        23.2930   15.2235  105.4808  C     
10   C        22.1648   16.0576  105.4311  C     
11   C        21.1803   15.9659  106.4417  C     
12   F        22.0537   16.9289  104.4553  F     
13   F        22.6866   13.3569  108.4903  F     
14   C        17.0206   15.8224  109.9260  C     
15   N        16.4978   17.0578  109.6874  N     
16   O        16.3916   15.1429  110.7319  O     
17   C        16.8713   17.9121  108.5818  C     
18   C        15.3713   17.5495  110.5048  C     
19   C        18.6316   13.5271  111.1688  C     
20   C        19.4506   14.3129  112.0293  C     
21   C        19.5785   14.0390  113.4092  C     
22   C        18.8575   12.9799  113.9818  C     
23   C        18.0092   12.2028  113.1741  C     
24   C        17.5953   12.9150  108.8126  C     
25   C        17.8898   12.4851  111.7895  C     
26   C        17.6143   13.0292  107.2318  C     
27   C        16.4147   13.7670  106.5594  C     
28   C        15.1601   12.8276  106.4123  C     
29   N        16.8119   14.3396  105.2564  N     
30   F        13.9713   13.5102  106.5459  F     
31   F        15.1631   12.1930  105.1685  F     
32   H        18.6657   16.0858  107.6434  H     
33   H        19.5446   16.7465  109.0736  H     
34   H        20.3406   12.9296  109.0405  H     
35   H        24.2617   13.7018  106.5672  H     
36   H        24.0182   15.2724  104.7481  H     
37   H        20.4102   16.6219  106.3559  H     
38   H        17.8895   18.2739  108.7056  H     
39   H        16.2495   18.7936  108.4643  H     
40   H        16.7783   17.3445  107.6485  H     
41   H        14.4468   16.9894  110.2641  H     
42   H        15.1632   18.6189  110.3915  H     
43   H        15.5916   17.3893  111.5727  H     
44   H        19.9850   15.0979  111.6282  H     
45   H        20.1985   14.6207  113.9789  H     
46   H        18.9790   12.7741  114.9826  H     
47   H        17.4911   11.4379  113.6068  H     
48   H        17.8698   11.8816  109.0750  H     
49   H        16.5600   13.0508  109.1391  H     
50   H        17.2386   11.8883  111.2489  H     
51   H        18.5263   13.5035  106.8936  H     
52   H        17.6459   12.0130  106.8173  H     
53   H        16.1024   14.6176  107.1845  H     
54   H        15.2068   12.0394  107.1735  H     
55   H        17.3778   15.1826  105.4274  H     
56   H        15.9887   14.6066  104.6905  H     
57   H        17.3903   13.6669  104.7304  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 1
     4    2   14 1
     5    3    4 1
     6    3   19 1
     7    3   24 1
     8    4    5 2
     9    5    6 1
    10    6    7 2
    11    6   11 1
    12    7    8 1
    13    7   13 1
    14    8    9 2
    15    9   10 1
    16   10   11 2
    17   10   12 1
    18   14   15 am
    19   14   16 2
    20   15   17 1
    21   15   18 1
    22   19   20 2
    23   19   25 1
    24   20   21 1
    25   21   22 2
    26   22   23 1
    27   23   25 2
    28   24   26 1
    29   26   27 1
    30   27   28 1
    31   27   29 1
    32   28   30 1
    33   28   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    8   35 1
    38    9   36 1
    39   11   37 1
    40   17   38 1
    41   17   39 1
    42   17   40 1
    43   18   41 1
    44   18   42 1
    45   18   43 1
    46   20   44 1
    47   21   45 1
    48   22   46 1
    49   23   47 1
    50   24   48 1
    51   24   49 1
    52   25   50 1
    53   26   51 1
    54   26   52 1
    55   27   53 1
    56   28   54 1
    57   29   55 1
    58   29   56 1
    59   29   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7783
  Crash		| -1.6890
  Polar		| 2.4925
  FragIndex	| 1
  FragRMSD	| 0.539