@<TRIPOS>MOLECULE
BindingDB_50281995
 22 22 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    P        53.4475    8.6722   28.8609  P     
2    C        56.4597   11.9185   27.9727  C     
3    C        56.0107   13.1081   27.3855  C     
4    C        55.5709   10.8839   28.1854  C     
5    O        54.9616    8.6804   29.2477  O     
6    O        52.8280    9.9566   29.4400  O     
7    O        53.0940    8.5553   27.4793  O     
8    O        56.8052   14.2075   27.2936  O     
9    C        55.9649    9.6116   28.7784  C     
10   O        54.8199   13.1762   26.7234  O     
11   O        52.7375    7.5067   29.6089  O     
12   C        57.8504   11.7092   28.3837  C     
13   C        57.9314   11.0535   29.7904  C     
14   C        56.8975    9.8847   30.0033  C     
15   H        54.6119   11.0169   27.9696  H     
16   H        56.5479    9.0648   28.0468  H     
17   H        58.3103   11.0420   27.6515  H     
18   H        58.4116   12.6452   28.3937  H     
19   H        58.9517   10.6873   29.9378  H     
20   H        57.7464   11.8271   30.5363  H     
21   H        56.2714   10.1428   30.8654  H     
22   H        57.4428    8.9709   30.2762  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    1    7 2
     4    1   11 1
     5    2    3 1
     6    2    4 2
     7    2   12 1
     8    3    8 1
     9    3   10 2
    10    4    9 1
    11    5    9 1
    12    9   14 1
    13   12   13 1
    14   13   14 1
    15    4   15 1
    16    9   16 1
    17   12   17 1
    18   12   18 1
    19   13   19 1
    20   13   20 1
    21   14   21 1
    22   14   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3186
  Crash		| -1.5187
  Polar		| 6.8729
  FragIndex	| 1
  FragRMSD	| 0.573