@<TRIPOS>MOLECULE
BindingDB_14712
 28 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.8593   33.5830   35.5590  C     
2    C        38.1230   32.2192   35.8831  C     
3    C        38.2056   31.7969   37.2335  C     
4    C        38.0449   32.7827   38.2219  C     
5    C        37.7805   34.1352   37.8948  C     
6    C        37.6305   34.5723   36.5555  C     
7    C        38.5293   30.3642   37.6004  C     
8    F        38.7294   30.1385   38.9462  F     
9    F        37.5470   29.4776   37.2199  F     
10   F        39.6948   29.9544   36.9975  F     
11   N        37.2601   35.9203   36.4136  N     
12   C        37.3337   36.7521   35.3678  C     
13   O        37.6954   36.2458   34.2976  O     
14   C        36.9749   38.1187   35.3759  C     
15   C        36.1889   38.5550   34.4430  C     
16   N        35.4923   38.9645   33.6183  N     
17   C        37.3878   39.0336   36.2895  C     
18   C        36.9114   40.4186   36.3751  C     
19   O        38.3005   38.6590   37.1934  O     
20   H        37.8009   33.8283   34.5626  H     
21   H        38.2071   31.5374   35.1298  H     
22   H        38.1034   32.5301   39.2085  H     
23   H        37.6408   34.7846   38.6665  H     
24   H        36.8530   36.3727   37.2194  H     
25   H        37.2322   40.9773   35.4988  H     
26   H        37.3072   40.9055   37.2658  H     
27   H        35.8239   40.4429   36.4371  H     
28   H        39.1672   38.6562   36.7198  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   11 1
     9    7    8 1
    10    7    9 1
    11    7   10 1
    12   11   12 am
    13   12   13 2
    14   12   14 1
    15   14   15 1
    16   14   17 2
    17   15   16 3
    18   17   18 1
    19   17   19 1
    20    1   20 1
    21    2   21 1
    22    4   22 1
    23    5   23 1
    24   11   24 1
    25   18   25 1
    26   18   26 1
    27   18   27 1
    28   19   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3868
  Crash		| -1.0796
  Polar		| 3.7174
  FragIndex	| 1
  FragRMSD	| 0.196