@<TRIPOS>MOLECULE
BindingDB_50174115
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7174   42.2610   13.7011  N     
2    C        28.4330   45.5535   20.8142  C     
3    N        27.3616   43.6179   19.6930  N     
4    C        28.3755   44.6789   19.5293  C     
5    C        27.0258   43.0251   14.7897  C     
6    C        27.3456   43.2616   17.2343  C     
7    C        27.6868   44.6267   17.0708  C     
8    C        27.0419   42.4753   16.0974  C     
9    C        28.0741   45.4792   18.2280  C     
10   O        26.6864   42.7499   12.4920  O     
11   O        26.4540   41.0908   13.7852  O     
12   C        27.3048   42.6391   18.5847  C     
13   C        27.3356   44.4010   14.6566  C     
14   C        27.6622   45.1879   15.7736  C     
15   F        29.4030   46.5207   20.7075  F     
16   F        27.2317   46.1650   21.0829  F     
17   F        28.7418   44.7752   21.9048  F     
18   H        27.5611   43.1112   20.5571  H     
19   H        26.4462   44.0623   19.7771  H     
20   H        29.3526   44.1942   19.4190  H     
21   H        26.8199   41.4835   16.2317  H     
22   H        27.2655   46.1931   18.4022  H     
23   H        28.9779   46.0328   17.9674  H     
24   H        28.1343   41.9332   18.6828  H     
25   H        26.3708   42.0860   18.7017  H     
26   H        27.3417   44.8456   13.7339  H     
27   H        27.9032   46.1736   15.6340  H     
@<TRIPOS>BOND
     1    1    5 am
     2    1   10 1
     3    1   11 2
     4    4    2 1
     5    2   15 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3   12 1
    10    4    9 1
    11    5    8 1
    12    5   13 2
    13    6    7 1
    14    6    8 2
    15    6   12 1
    16    7    9 1
    17    7   14 2
    18   13   14 1
    19    3   18 1
    20    3   19 1
    21    4   20 1
    22    8   21 1
    23    9   22 1
    24    9   23 1
    25   12   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4144
  Crash		| -0.5768
  Polar		| 2.3449
  FragIndex	| 1
  FragRMSD	| 0.354