@<TRIPOS>MOLECULE
BindingDB_16111
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.8244   40.5171   44.3718  C     
2    C        42.6444   39.9018   43.5009  C     
3    C        43.7608   39.2783   44.1760  C     
4    C        43.5791   39.6027   45.6688  C     
5    C        42.2595   40.3903   45.7428  C     
6    C        42.5048   39.8034   42.1196  C     
7    O        43.4247   39.1568   41.3682  O     
8    O        41.4459   40.3099   41.4422  O     
9    C        40.7124   41.2376   44.0904  C     
10   O        39.6366   40.8278   44.5099  O     
11   N        40.8275   42.3541   43.3910  N     
12   C        39.8602   43.2626   43.0459  C     
13   C        37.9200   45.2000   42.2593  C     
14   C        39.0577   44.9453   41.4553  C     
15   C        40.0175   43.9936   41.8465  C     
16   C        38.7405   43.5411   43.8675  C     
17   C        37.7913   44.5090   43.4874  C     
18   F        41.0412   43.7835   41.0611  F     
19   C        36.9093   46.0984   41.8223  C     
20   C        34.9050   47.8847   40.9270  C     
21   C        35.1848   46.7192   40.1936  C     
22   C        36.1862   45.8343   40.6353  C     
23   C        36.6093   47.2714   42.5557  C     
24   C        35.6038   48.1579   42.1185  C     
25   O        35.3624   49.3214   42.7990  O     
26   C        34.2287   49.2436   43.6793  C     
27   H        43.7409   38.1974   44.0156  H     
28   H        44.7120   39.6796   43.8109  H     
29   H        43.5246   38.6888   46.2696  H     
30   H        44.4094   40.2158   46.0348  H     
31   H        42.4256   41.3782   46.1880  H     
32   H        41.5156   39.8460   46.3337  H     
33   H        41.7077   42.5238   43.0142  H     
34   H        39.1839   45.4518   40.5784  H     
35   H        38.6226   43.0609   44.7615  H     
36   H        36.9907   44.6844   44.0997  H     
37   H        34.1857   48.5318   40.5949  H     
38   H        34.6653   46.5174   39.3351  H     
39   H        36.3725   44.9862   40.0908  H     
40   H        37.1336   47.4972   43.4064  H     
41   H        33.3054   49.0674   43.1221  H     
42   H        34.1395   50.1989   44.1958  H     
43   H        34.3576   48.4615   44.4316  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    9 1
     4    2    3 1
     5    2    6 1
     6    3    4 1
     7    4    5 1
     8    6    7 2
     9    6    8 1
    10    9   10 2
    11    9   11 am
    12   11   12 1
    13   12   15 1
    14   12   16 2
    15   13   14 1
    16   13   17 2
    17   13   19 1
    18   14   15 2
    19   15   18 1
    20   16   17 1
    21   19   22 1
    22   19   23 2
    23   20   21 1
    24   20   24 2
    25   21   22 2
    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    4   30 1
    33    5   31 1
    34    5   32 1
    35   11   33 1
    36   14   34 1
    37   16   35 1
    38   17   36 1
    39   20   37 1
    40   21   38 1
    41   22   39 1
    42   23   40 1
    43   26   41 1
    44   26   42 1
    45   26   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5033
  Crash		| -0.6790
  Polar		| 1.5124
  FragIndex	| 1
  FragRMSD	| 0.653