@<TRIPOS>MOLECULE
BindingDB_19993
 43 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        95.1758   -9.7608   13.1914  C     
2    C        94.8498  -11.0186   13.7055  C     
3    C        95.5988  -12.0610   11.6370  C     
4    C        95.9233  -10.7949   11.1269  C     
5    C        95.7562   -9.5973   11.8979  C     
6    C        97.4702   -8.0165   10.7582  C     
7    F        97.8231   -6.6860   10.7113  F     
8    F        98.4283   -8.6351   11.5265  F     
9    F        97.6175   -8.4650    9.4667  F     
10   C        96.0110   -8.2189   11.3331  C     
11   C        94.8703   -7.8868   10.3053  C     
12   F        95.0491   -6.6364    9.7493  F     
13   F        94.8005   -8.7895    9.2669  F     
14   F        93.6380   -7.8839   10.9271  F     
15   O        95.8988   -7.2660   12.4048  O     
16   C        95.0455  -12.1896   12.9331  C     
17   N        94.7742  -13.4089   13.4699  N     
18   C        95.4212  -13.8064   14.6935  C     
19   C        96.5160  -14.8575   14.3685  C     
20   F        97.0285  -15.3024   15.5679  F     
21   F        95.9833  -15.9569   13.6839  F     
22   F        97.5357  -14.3108   13.6038  F     
23   C        93.0578  -13.9476   11.2394  C     
24   C        92.4065  -12.7462   10.8757  C     
25   C        92.1620  -12.4525    9.5222  C     
26   C        92.5919  -13.3418    8.5225  C     
27   C        93.2512  -14.5346    8.8738  C     
28   C        93.4909  -14.8340   10.2281  C     
29   S        93.4290  -14.2722   12.9064  S     
30   O        93.6915  -15.8423   13.0825  O     
31   O        92.1739  -13.9628   13.8339  O     
32   H        94.9794   -8.9471   13.7880  H     
33   H        94.4646  -11.0979   14.6533  H     
34   H        95.7540  -12.8984   11.0557  H     
35   H        96.3006  -10.7563   10.1787  H     
36   H        95.6928   -6.4065   11.9817  H     
37   H        95.9111  -12.9436   15.1923  H     
38   H        94.6863  -14.2215   15.4064  H     
39   H        92.1004  -12.0844   11.5928  H     
40   H        91.6774  -11.6003    9.2711  H     
41   H        92.4291  -13.1264    7.5468  H     
42   H        93.5709  -15.1804    8.1531  H     
43   H        93.9701  -15.7047   10.4757  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2   16 2
     4    3    4 2
     5    3   16 1
     6    4    5 1
     7    5   10 1
     8    6    7 1
     9    6    8 1
    10    6    9 1
    11    6   10 1
    12   10   11 1
    13   10   15 1
    14   11   12 1
    15   11   13 1
    16   11   14 1
    17   16   17 1
    18   17   18 1
    19   17   29 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23   19   22 1
    24   23   24 1
    25   23   28 2
    26   23   29 1
    27   24   25 2
    28   25   26 1
    29   26   27 2
    30   27   28 1
    31   29   30 2
    32   29   31 2
    33    1   32 1
    34    2   33 1
    35    3   34 1
    36    4   35 1
    37   15   36 1
    38   18   37 1
    39   18   38 1
    40   24   39 1
    41   25   40 1
    42   26   41 1
    43   27   42 1
    44   28   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8304
  Crash		| -2.5995
  Polar		| 1.1916
  FragIndex	| 1
  FragRMSD	| 0.786