@<TRIPOS>MOLECULE
BindingDB_14789
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.6918    5.4476   11.9270  C     
2    C        14.6416    5.8705   11.1140  C     
3    C        13.5468    5.9793   11.9775  C     
4    N        15.1955    5.2378   13.1566  N     
5    N        13.9262    5.5281   13.2021  N     
6    C        17.1142    5.2920   11.5876  C     
7    C        12.2925    6.7102   11.6897  C     
8    C        14.6664    6.0909    9.7166  C     
9    O        15.8404    6.2471    9.0638  O     
10   O        13.5092    6.0132    9.0065  O     
11   C        13.3631    6.0753    7.5820  C     
12   C        11.9969    6.6967    7.2277  C     
13   C        13.1740    5.4390   14.3611  C     
14   C        13.8133    5.5209   15.6220  C     
15   C        13.0849    5.5485   16.8329  C     
16   C        11.6793    5.4425   16.7594  C     
17   C        11.7606    5.3206   14.3378  C     
18   C        10.9976    5.3284   15.5265  C     
19   C         9.5114    5.2921   15.4465  C     
20   F         9.0863    4.2590   14.6429  F     
21   F         8.8878    5.1380   16.6622  F     
22   F         9.0542    6.4732   14.9177  F     
23   C        13.7300    5.7899   18.1557  C     
24   F        13.3488    4.8415   19.0707  F     
25   F        15.1045    5.7952   18.1349  F     
26   F        13.3273    7.0119   18.6360  F     
27   H        17.2209    4.6672   10.7056  H     
28   H        17.6589    4.8331   12.4129  H     
29   H        17.5454    6.2716   11.3829  H     
30   H        12.4553    7.5167   10.9781  H     
31   H        11.9306    7.1523   12.6295  H     
32   H        11.5474    6.0254   11.2848  H     
33   H        14.1624    6.6831    7.1477  H     
34   H        13.4268    5.0655    7.1661  H     
35   H        11.1873    6.1256    7.6877  H     
36   H        11.8557    6.6937    6.1450  H     
37   H        11.9542    7.7277    7.5882  H     
38   H        14.8310    5.6309   15.6551  H     
39   H        11.1389    5.4862   17.6284  H     
40   H        11.2638    5.2785   13.4327  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 2
     3    1    6 1
     4    2    3 2
     5    2    8 1
     6    3    5 1
     7    3    7 1
     8    4    5 1
     9    5   13 1
    10    8    9 2
    11    8   10 1
    12   10   11 1
    13   11   12 1
    14   13   14 2
    15   13   17 1
    16   14   15 1
    17   15   16 2
    18   15   23 1
    19   16   18 1
    20   17   18 2
    21   18   19 1
    22   19   20 1
    23   19   21 1
    24   19   22 1
    25   23   24 1
    26   23   25 1
    27   23   26 1
    28    6   27 1
    29    6   28 1
    30    6   29 1
    31    7   30 1
    32    7   31 1
    33    7   32 1
    34   11   33 1
    35   11   34 1
    36   12   35 1
    37   12   36 1
    38   12   37 1
    39   14   38 1
    40   16   39 1
    41   17   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1061
  Crash		| -1.2992
  Polar		| 1.1159
  FragIndex	| 1
  FragRMSD	| 0.824