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


@<TRIPOS>ATOM
1    O        16.0212   15.0674  110.5063  O     
2    C        19.6877   14.6644  108.0030  C     
3    C        18.6088   15.6392  108.1419  C     
4    C        19.4010   13.6416  108.7980  C     
5    N        17.7549   15.1373  109.1858  N     
6    C        18.5104   13.6672  111.0417  C     
7    C        17.9131   12.6227  111.7874  C     
8    C        19.3712   14.5703  111.7156  C     
9    C        19.6209   14.4332  113.0950  C     
10   C        19.0170   13.3900  113.8184  C     
11   C        18.1638   12.4856  113.1633  C     
12   C        20.8123   14.8242  107.1580  C     
13   C        23.1509   14.3696  106.5146  C     
14   C        23.0470   15.2419  105.4258  C     
15   C        21.8468   15.9237  105.1957  C     
16   C        20.7447   15.7144  106.0489  C     
17   C        22.0568   14.1602  107.3759  C     
18   F        22.2787   13.3771  108.3993  F     
19   F        21.7610   16.7699  104.2083  F     
20   C        16.6398   15.7349  109.6839  C     
21   C        18.2067   13.8266  109.5826  C     
22   C        16.0484   17.6113  107.9936  C     
23   C        14.6921   17.3046  110.0668  C     
24   C        16.1451   17.1366  109.5098  C     
25   C        17.0351   18.1259  110.3374  C     
26   N        18.4890   18.1175  110.0890  N     
27   H        19.0626   16.5912  108.3939  H     
28   H        18.0661   15.6954  107.2096  H     
29   H        19.9237   12.8054  108.8396  H     
30   H        17.2848   11.9527  111.3325  H     
31   H        19.8227   15.3330  111.2068  H     
32   H        20.2465   15.0853  113.5694  H     
33   H        19.1970   13.2890  114.8191  H     
34   H        17.7209   11.7321  113.6929  H     
35   H        24.0420   13.9044  106.6918  H     
36   H        23.8532   15.3916  104.8144  H     
37   H        19.8903   16.2296  105.8347  H     
38   H        17.4787   13.0838  109.2381  H     
39   H        17.0333   17.8012  107.5612  H     
40   H        15.5026   18.5384  107.9048  H     
41   H        15.5386   16.8437  107.4029  H     
42   H        13.9937   16.6207  109.5850  H     
43   H        14.2930   18.3333  109.9129  H     
44   H        14.6584   17.1248  111.1473  H     
45   H        16.7032   19.1535  110.1745  H     
46   H        16.9178   17.8976  111.4063  H     
47   H        18.8742   17.2196  110.3516  H     
48   H        18.9395   18.8485  110.6747  H     
49   H        18.6740   18.3318  109.1178  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	| 7.2126
  Crash		| -1.5320
  Polar		| 0.0146
  FragIndex	| 1
  FragRMSD	| 0.465