@<TRIPOS>MOLECULE
BindingDB_50103227
 26 27 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        46.4216   15.7111    3.9460  C     
2    P        45.5758   15.8905    5.3746  P     
3    C        45.7633   14.7208    3.0345  C     
4    C        43.5328    9.6857   -0.4746  C     
5    C        44.1911   10.5980    0.3924  C     
6    C        46.1992   13.3716    2.9375  C     
7    C        43.7562   11.9390    0.4988  C     
8    C        45.5439   12.4424    2.1002  C     
9    C        44.4150   12.8617    1.3392  C     
10   O        44.1638   16.1242    5.2075  O     
11   C        44.6499   15.1109    2.2563  C     
12   F        47.7154   15.3666    4.2739  F     
13   F        46.5304   16.9389    3.3365  F     
14   O        43.8531    8.3731   -0.5102  O     
15   C        45.3064   10.1913    1.1632  C     
16   O        45.6999   14.6395    6.2639  O     
17   O        46.1434   17.0497    6.2147  O     
18   C        43.9794   14.1994    1.4291  C     
19   C        45.9817   11.1045    1.9961  C     
20   O        42.5395   10.0745   -1.3095  O     
21   H        47.0001   13.0546    3.4914  H     
22   H        42.9425   12.2592   -0.0412  H     
23   H        44.3114   16.0767    2.2859  H     
24   H        45.6487    9.2310    1.1171  H     
25   H        43.1666   14.5170    0.8926  H     
26   H        46.7958   10.7803    2.5223  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1   12 1
     4    1   13 1
     5    2   10 2
     6    2   16 1
     7    2   17 1
     8    3    6 2
     9    3   11 1
    10    4    5 1
    11    4   14 2
    12    4   20 1
    13    5    7 2
    14    5   15 1
    15    6    8 1
    16    7    9 1
    17    8    9 2
    18    8   19 1
    19    9   18 1
    20   11   18 2
    21   15   19 2
    22    6   21 1
    23    7   22 1
    24   11   23 1
    25   15   24 1
    26   18   25 1
    27   19   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5117
  Crash		| -0.7166
  Polar		| 5.7313
  FragIndex	| 1
  FragRMSD	| 1.054