@<TRIPOS>MOLECULE
BindingDB_50181137
 51 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.9846   15.3409  105.4555  C     
2    C        21.7497   15.9793  105.2772  C     
3    C        20.6682   15.6672  106.1248  C     
4    C        20.7808   14.7263  107.1905  C     
5    C        22.0658   14.1210  107.3708  C     
6    C        23.1423   14.4273  106.5090  C     
7    C        19.6558   14.4569  108.0181  C     
8    C        18.4444   15.2576  108.0400  C     
9    N        17.5780   14.6515  109.0086  N     
10   C        18.1851   13.4472  109.5121  C     
11   C        19.4666   13.4309  108.8566  C     
12   C        18.3114   13.3879  111.0026  C     
13   C        19.1932   14.2433  111.7153  C     
14   C        19.2752   14.1996  113.1198  C     
15   C        18.4472   13.3266  113.8446  C     
16   C        17.5520   12.4756  113.1643  C     
17   C        17.4977   12.5028  111.7539  C     
18   C        16.3441   15.0911  109.3287  C     
19   C        15.7110   16.3073  108.7829  C     
20   O        15.7014   14.4776  110.1752  O     
21   F        22.3378   13.2919  108.3448  F     
22   F        21.6156   16.8634  104.3300  F     
23   O        16.7262   11.6692  113.8844  O     
24   C        15.9896   17.6794  109.5597  C     
25   O        14.3155   16.0390  108.5831  O     
26   C        16.9192   17.5144  110.8120  C     
27   C        16.6947   18.7023  108.5955  C     
28   C        14.6649   18.3515  110.0700  C     
29   H        23.7762   15.5579  104.8427  H     
30   H        19.7884   16.1528  105.9403  H     
31   H        24.0572   13.9948  106.6462  H     
32   H        18.6782   16.2911  108.3126  H     
33   H        17.9581   15.2220  107.0606  H     
34   H        17.6174   12.5851  109.1378  H     
35   H        20.0980   12.6756  108.9780  H     
36   H        19.7895   14.9028  111.2113  H     
37   H        19.9199   14.8182  113.6173  H     
38   H        18.4909   13.3047  114.8625  H     
39   H        16.8379   11.8806  111.2763  H     
40   H        16.0471   16.4104  107.7493  H     
41   H        15.9275   11.5248  113.3336  H     
42   H        13.9670   15.8061  109.4709  H     
43   H        16.4471   16.8653  111.5499  H     
44   H        17.1323   18.4730  111.2952  H     
45   H        17.8771   17.0722  110.5263  H     
46   H        17.6560   18.3064  108.2574  H     
47   H        16.8815   19.6625  109.0892  H     
48   H        16.0739   18.8892  107.7142  H     
49   H        13.9941   18.5681  109.2353  H     
50   H        14.8618   19.2955  110.5883  H     
51   H        14.1470   17.6808  110.7653  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   21 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 am
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   23 1
    24   18   19 1
    25   18   20 2
    26   19   24 1
    27   19   25 1
    28   24   26 1
    29   24   27 1
    30   24   28 1
    31    1   29 1
    32    3   30 1
    33    6   31 1
    34    8   32 1
    35    8   33 1
    36   10   34 1
    37   11   35 1
    38   13   36 1
    39   14   37 1
    40   15   38 1
    41   17   39 1
    42   19   40 1
    43   23   41 1
    44   25   42 1
    45   26   43 1
    46   26   44 1
    47   26   45 1
    48   27   46 1
    49   27   47 1
    50   27   48 1
    51   28   49 1
    52   28   50 1
    53   28   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1999
  Crash		| -1.1748
  Polar		| 0.9406
  FragIndex	| 1
  FragRMSD	| 0.362