@<TRIPOS>MOLECULE
BindingDB_50069998
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.2963   19.0180    2.6022  C     
2    P        23.8502   18.2439    4.0277  P     
3    C        26.6627   20.8978   -1.8934  C     
4    P        27.4157   21.8248   -3.0664  P     
5    C        23.9845   20.4515    2.3699  C     
6    C        24.6422   21.2520    1.3716  C     
7    C        25.9758   21.5520   -0.7228  C     
8    C        25.3742   20.7302    0.2698  C     
9    O        24.9716   18.2486    5.0920  O     
10   O        22.6308   18.6783    4.6619  O     
11   O        26.5445   22.8685   -3.5481  O     
12   F        23.7839   18.2954    1.5518  F     
13   F        25.6599   18.8356    2.6031  F     
14   C        25.8628   22.9542   -0.5568  C     
15   C        24.4704   22.6702    1.4178  C     
16   F        27.6126   20.0303   -1.4120  F     
17   F        25.7400   20.1312   -2.5671  F     
18   O        23.5546   16.7663    3.7179  O     
19   O        28.7049   22.4848   -2.5361  O     
20   O        27.8091   20.9659   -4.2860  O     
21   C        25.1183   23.5093    0.4909  C     
22   C        22.9939   21.0591    3.0735  C     
23   C        22.8165   22.4034    3.0889  C     
24   C        23.5738   23.2146    2.3343  C     
25   H        25.4310   19.7176    0.1449  H     
26   H        26.2901   23.6027   -1.2169  H     
27   H        25.0138   24.5285    0.5393  H     
28   H        22.3537   20.5338    3.6116  H     
29   H        22.1153   22.7926    3.6716  H     
30   H        23.4207   24.1971    2.3765  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   12 1
     4    1   13 1
     5    2    9 1
     6    2   10 2
     7    2   18 1
     8    3    4 1
     9    3    7 1
    10    3   16 1
    11    3   17 1
    12    4   11 2
    13    4   19 1
    14    4   20 1
    15    5    6 1
    16    5   22 2
    17    6    8 2
    18    6   15 1
    19    7    8 1
    20    7   14 2
    21   14   21 1
    22   15   21 2
    23   15   24 1
    24   22   23 1
    25   23   24 2
    26    8   25 1
    27   14   26 1
    28   21   27 1
    29   22   28 1
    30   23   29 1
    31   24   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2372
  Crash		| -3.3200
  Polar		| 2.4292
  FragIndex	| 1
  FragRMSD	| 0.671