@<TRIPOS>MOLECULE
BindingDB_24057
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        16.0015   15.1923  110.0999  O     
2    C        19.8476   15.0786  107.8900  C     
3    C        18.7614   16.0346  108.0220  C     
4    C        19.5103   13.9868  108.5831  C     
5    N        17.8453   15.4653  108.9785  N     
6    C        18.4565   13.8688  110.7655  C     
7    C        17.7737   12.7816  111.3663  C     
8    C        19.2349   14.7094  111.6035  C     
9    C        19.3436   14.4549  112.9892  C     
10   C        18.6651   13.3659  113.5632  C     
11   C        17.8806   12.5342  112.7524  C     
12   C        21.0011   15.2521  107.0754  C     
13   C        23.1981   14.5434  106.1689  C     
14   C        23.2643   15.6971  105.3682  C     
15   C        22.2498   16.6533  105.4424  C     
16   C        21.1359   16.4352  106.2839  C     
17   C        22.0956   14.3362  107.0294  C     
18   F        22.1879   13.2692  107.7822  F     
19   F        22.3057   17.7277  104.6890  F     
20   C        16.6814   15.9763  109.4303  C     
21   C        18.2840   14.1333  109.2982  C     
22   C        17.0735   18.4221  109.7475  C     
23   C        15.7265   17.5996  107.7296  C     
24   C        16.0810   17.3288  109.2304  C     
25   C        14.7556   17.5494  110.0784  C     
26   N        13.5520   16.8816  109.5460  N     
27   H        19.1465   17.0099  108.3398  H     
28   H        18.2629   16.1370  107.0473  H     
29   H        20.0188   13.1347  108.6121  H     
30   H        17.1995   12.1524  110.7996  H     
31   H        19.7400   15.5044  111.2078  H     
32   H        19.9305   15.0582  113.5683  H     
33   H        18.7461   13.1809  114.5610  H     
34   H        17.3877   11.7412  113.1715  H     
35   H        23.9612   13.8609  106.1241  H     
36   H        24.0553   15.8266  104.7386  H     
37   H        20.4093   17.1569  106.2732  H     
38   H        17.5851   13.4262  108.8475  H     
39   H        17.2554   18.3024  110.8128  H     
40   H        16.6476   19.4208  109.5981  H     
41   H        18.0462   18.3820  109.2461  H     
42   H        16.6099   17.6774  107.0828  H     
43   H        15.1901   18.5549  107.6216  H     
44   H        15.0887   16.8068  107.3237  H     
45   H        14.9013   17.1742  111.0960  H     
46   H        14.5225   18.6115  110.1719  H     
47   H        13.2539   17.3163  108.6735  H     
48   H        12.7818   16.9510  110.2297  H     
49   H        13.7579   15.8947  109.3819  H     
@<TRIPOS>BOND
     1    1   20 2
     2    2    3 1
     3    2    4 2
     4    2   12 1
     5    3    5 1
     6    4   21 1
     7    5   20 am
     8    5   21 1
     9    6    7 2
    10    6    8 1
    11   21    6 1
    12    7   11 1
    13    8    9 2
    14    9   10 1
    15   10   11 2
    16   12   16 2
    17   12   17 1
    18   13   14 1
    19   13   17 2
    20   14   15 2
    21   15   16 1
    22   15   19 1
    23   17   18 1
    24   20   24 1
    25   22   24 1
    26   23   24 1
    27   24   25 1
    28   25   26 1
    29    3   27 1
    30    3   28 1
    31    4   29 1
    32    7   30 1
    33    8   31 1
    34    9   32 1
    35   10   33 1
    36   11   34 1
    37   13   35 1
    38   14   36 1
    39   16   37 1
    40   21   38 1
    41   22   39 1
    42   22   40 1
    43   22   41 1
    44   23   42 1
    45   23   43 1
    46   23   44 1
    47   25   45 1
    48   25   46 1
    49   26   47 1
    50   26   48 1
    51   26   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0576
  Crash		| -1.0559
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.651