@<TRIPOS>MOLECULE
BindingDB_50181142
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.2878   15.0371  105.9221  C     
2    C        22.0661   15.6369  105.5904  C     
3    C        20.9164   15.3574  106.3527  C     
4    C        20.9508   14.4849  107.4759  C     
5    C        22.2133   13.9107  107.8036  C     
6    C        23.3589   14.1784  107.0274  C     
7    C        19.7809   14.2590  108.2360  C     
8    C        18.6337   15.1350  108.2497  C     
9    N        17.7698   14.6098  109.2623  N     
10   C        18.2663   13.3460  109.7431  C     
11   C        19.5144   13.2212  109.0361  C     
12   C        18.4636   13.2315  111.2261  C     
13   C        19.4112   14.0249  111.9184  C     
14   C        19.5475   13.9317  113.3160  C     
15   C        18.7343   13.0499  114.0473  C     
16   C        17.7787   12.2608  113.3832  C     
17   C        17.6549   12.3474  111.9818  C     
18   C        16.7042   15.2769  109.7410  C     
19   O        16.1686   14.8850  110.7711  O     
20   F        22.3978   13.1694  108.8621  F     
21   F        22.0063   16.4649  104.5829  F     
22   O        16.9802   11.4359  114.1112  O     
23   N        16.3266   16.4806  109.2901  N     
24   C        15.9102   16.6619  107.9223  C     
25   C        16.3560   17.6354  110.1649  C     
26   C        17.8033   18.0666  110.5169  C     
27   O        18.6298   16.9477  110.8072  O     
28   H        24.1257   15.2352  105.3723  H     
29   H        20.0438   15.8060  106.0630  H     
30   H        24.2588   13.7658  107.2739  H     
31   H        18.9267   16.1552  108.4977  H     
32   H        18.1395   15.1096  107.2767  H     
33   H        17.5948   12.5621  109.3762  H     
34   H        20.0982   12.4246  109.1407  H     
35   H        20.0098   14.6771  111.4066  H     
36   H        20.2359   14.5112  113.8020  H     
37   H        18.8314   12.9926  115.0640  H     
38   H        16.9505   11.7695  111.5151  H     
39   H        16.2176   11.1939  113.5426  H     
40   H        15.8388   15.7214  107.3719  H     
41   H        16.6102   17.3167  107.4017  H     
42   H        14.9190   17.1195  107.8969  H     
43   H        15.8687   18.4997  109.7014  H     
44   H        15.8040   17.4256  111.0854  H     
45   H        18.2780   18.6272  109.7032  H     
46   H        17.7791   18.6951  111.4031  H     
47   H        19.3682   17.3063  111.3424  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   21 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   20 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 1
    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   22 1
    24   18   19 2
    25   18   23 am
    26   23   24 1
    27   23   25 1
    28   25   26 1
    29   26   27 1
    30    1   28 1
    31    3   29 1
    32    6   30 1
    33    8   31 1
    34    8   32 1
    35   10   33 1
    36   11   34 1
    37   13   35 1
    38   14   36 1
    39   15   37 1
    40   17   38 1
    41   22   39 1
    42   24   40 1
    43   24   41 1
    44   24   42 1
    45   25   43 1
    46   25   44 1
    47   26   45 1
    48   26   46 1
    49   27   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5753
  Crash		| -1.8214
  Polar		| 0.5345
  FragIndex	| 1
  FragRMSD	| 1.273