@<TRIPOS>MOLECULE
BindingDB_50228011
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.4552   -2.2097  -11.7301  C     
2    C        17.3775   -1.6231  -10.8305  C     
3    C        18.1663   -2.4830  -10.0203  C     
4    C        18.0122   -3.8839  -10.0849  C     
5    C        17.0901   -4.4383  -10.9937  C     
6    C        16.3178   -3.6062  -11.8166  C     
7    C        17.4744   -0.1377  -10.7551  C     
8    F        18.3833    0.3337   -9.8327  F     
9    F        17.8443    0.3727  -11.9794  F     
10   F        16.2505    0.3911  -10.4108  F     
11   S        18.9365   -4.9055   -9.0193  S     
12   N        18.3210   -5.0068   -7.4480  N     
13   O        18.9995   -6.3983   -9.5657  O     
14   O        20.4613   -4.4627   -8.9749  O     
15   C        18.6916   -4.1340   -6.3664  C     
16   C        17.4584   -3.2447   -5.9636  C     
17   C        17.2091   -2.9911   -4.5136  C     
18   C        19.3171   -4.8826   -5.2805  C     
19   N        19.1646   -6.1792   -5.1016  N     
20   O        20.0110   -4.2925   -4.4649  O     
21   C        17.3028   -1.6991   -3.9489  C     
22   C        17.0880   -1.4875   -2.5760  C     
23   C        16.7407   -2.5622   -1.7233  C     
24   C        16.6054   -3.8483   -2.3021  C     
25   C        16.8325   -4.0614   -3.6710  C     
26   C        16.4816   -2.3679   -0.2601  C     
27   C        17.6136   -1.7940    0.6442  C     
28   C        16.9668   -1.0631    1.7163  C     
29   N        15.6893   -0.8023    1.5745  N     
30   S        15.0679   -1.3162    0.1078  S     
31   O        17.5538   -0.6968    2.7291  O     
32   O        14.8962   -0.0717   -0.8702  O     
33   O        13.8090   -2.2524    0.3810  O     
34   H        15.8671   -1.6189  -12.3230  H     
35   H        18.8433   -2.0821   -9.3661  H     
36   H        16.9677   -5.4505  -11.0587  H     
37   H        15.6500   -4.0112  -12.4733  H     
38   H        17.6736   -5.7145   -7.2797  H     
39   H        19.4672   -3.4559   -6.7443  H     
40   H        17.5723   -2.2835   -6.4754  H     
41   H        16.5389   -3.6812   -6.3619  H     
42   H        19.6095   -6.6212   -4.3555  H     
43   H        18.6135   -6.7018   -5.7087  H     
44   H        17.5444   -0.8951   -4.5362  H     
45   H        17.1865   -0.5403   -2.1985  H     
46   H        16.3301   -4.6477   -1.7273  H     
47   H        16.7378   -5.0056   -4.0498  H     
48   H        16.2135   -3.3357    0.1813  H     
49   H        18.2161   -2.6114    1.0544  H     
50   H        18.2694   -1.1124    0.1034  H     
51   H        15.1507   -0.3541    2.2503  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    7 1
     5    3    4 2
     6    4    5 1
     7    4   11 1
     8    5    6 2
     9    7    8 1
    10    7    9 1
    11    7   10 1
    12   11   12 1
    13   11   13 2
    14   11   14 2
    15   12   15 1
    16   15   16 1
    17   15   18 1
    18   16   17 1
    19   17   21 2
    20   17   25 1
    21   18   19 am
    22   18   20 2
    23   21   22 1
    24   22   23 2
    25   23   24 1
    26   23   26 1
    27   24   25 2
    28   26   27 1
    29   26   30 1
    30   27   28 1
    31   28   29 1
    32   28   31 2
    33   29   30 1
    34   30   32 2
    35   30   33 2
    36    1   34 1
    37    3   35 1
    38    5   36 1
    39    6   37 1
    40   12   38 1
    41   15   39 1
    42   16   40 1
    43   16   41 1
    44   19   42 1
    45   19   43 1
    46   21   44 1
    47   22   45 1
    48   24   46 1
    49   25   47 1
    50   26   48 1
    51   27   49 1
    52   27   50 1
    53   29   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0854
  Crash		| -2.0599
  Polar		| 5.7393
  FragIndex	| 1
  FragRMSD	| 0.804