@<TRIPOS>MOLECULE
BindingDB_50069997
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        45.5516   15.8492    5.3693  P     
2    C        46.3510   15.6213    3.9174  C     
3    C        46.1837    8.7130    0.9866  C     
4    P        46.7496    8.4510   -0.5621  P     
5    C        45.5970   10.0794    1.1811  C     
6    C        45.7270   14.5872    3.0660  C     
7    C        45.6592   12.3554    2.1454  C     
8    C        46.2176   11.0643    1.9869  C     
9    C        46.2594   13.3401    2.9434  C     
10   O        44.0387   16.1110    5.2171  O     
11   O        45.6890   14.7091    6.2381  O     
12   O        47.2812    7.1173   -0.6814  O     
13   C        44.4509   12.6812    1.4684  C     
14   C        44.3758   10.4189    0.5502  C     
15   C        44.5652   14.8766    2.3742  C     
16   F        47.6638   15.3628    4.2389  F     
17   F        46.4120   16.8239    3.2495  F     
18   F        47.2402    8.4674    1.8303  F     
19   F        45.2474    7.7577    1.3007  F     
20   O        46.1555   17.0203    6.1702  O     
21   O        45.6735    8.6137   -1.6544  O     
22   O        47.9080    9.4153   -0.8878  O     
23   C        43.8188   11.7044    0.6703  C     
24   C        43.9333   13.9730    1.6058  C     
25   H        47.1010   10.8420    2.4561  H     
26   H        47.0874   13.1041    3.4388  H     
27   H        43.8777    9.7269   -0.0191  H     
28   H        44.1582   15.7820    2.4457  H     
29   H        42.9552   11.9250    0.1644  H     
30   H        43.0928   14.2251    1.1406  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   10 1
     3    1   11 2
     4    1   20 1
     5    2    6 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3    5 1
    10    3   18 1
    11    3   19 1
    12    4   12 2
    13    4   21 1
    14    4   22 1
    15    5    8 1
    16    5   14 2
    17    6    9 2
    18    6   15 1
    19    7    8 2
    20    7    9 1
    21    7   13 1
    22   13   23 2
    23   13   24 1
    24   14   23 1
    25   15   24 2
    26    8   25 1
    27    9   26 1
    28   14   27 1
    29   15   28 1
    30   23   29 1
    31   24   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5188
  Crash		| -0.8444
  Polar		| 5.5962
  FragIndex	| 1
  FragRMSD	| 0.840