@<TRIPOS>MOLECULE
BindingDB_50107745
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        45.5604   15.8737    5.3558  P     
2    P        46.8807    8.4675   -0.3597  P     
3    C        46.1828    8.7254    1.1305  C     
4    C        46.3603   15.6696    3.9066  C     
5    C        45.5898   10.0982    1.2561  C     
6    C        45.7384   14.6360    3.0508  C     
7    C        45.6711   12.4026    2.1454  C     
8    C        46.2317   11.1162    2.0047  C     
9    C        46.2695   13.3916    2.9347  C     
10   O        45.6746   14.6267    6.2488  O     
11   O        45.8884    8.7097   -1.5127  O     
12   O        48.0914    9.4013   -0.5562  O     
13   O        46.1599   17.0282    6.1779  O     
14   O        47.3566    7.1116   -0.4726  O     
15   O        44.1544   16.1362    5.1996  O     
16   C        44.4555   12.7133    1.4731  C     
17   C        44.3698   10.4267    0.6092  C     
18   C        44.5646   14.9178    2.3628  C     
19   F        47.6806   15.4166    4.2113  F     
20   F        46.4028   16.8897    3.2662  F     
21   F        47.1460    8.4806    2.0874  F     
22   F        45.2333    7.7525    1.3401  F     
23   C        43.9360   13.9988    1.6015  C     
24   C        43.8164   11.7167    0.7069  C     
25   H        47.1300   10.9171    2.4515  H     
26   H        47.0890   13.1548    3.4409  H     
27   H        43.8695    9.7213    0.0601  H     
28   H        44.1592   15.8224    2.4226  H     
29   H        43.0961   14.2482    1.1307  H     
30   H        42.9408   11.9224    0.2179  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   10 1
     3    1   13 1
     4    1   15 2
     5    2    3 1
     6    2   11 1
     7    2   12 1
     8    2   14 2
     9    3    5 1
    10    3   21 1
    11    3   22 1
    12    4    6 1
    13    4   19 1
    14    4   20 1
    15    5    8 1
    16    5   17 2
    17    6    9 2
    18    6   18 1
    19    7    8 2
    20    7    9 1
    21    7   16 1
    22   16   23 1
    23   16   24 2
    24   17   24 1
    25   18   23 2
    26    8   25 1
    27    9   26 1
    28   17   27 1
    29   18   28 1
    30   23   29 1
    31   24   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5039
  Crash		| -0.8685
  Polar		| 5.6088
  FragIndex	| 1
  FragRMSD	| 0.852