@<TRIPOS>MOLECULE
BindingDB_50298711
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O       -14.6236   53.5887    3.9306  O     
2    C       -13.9630   53.2529    5.1502  C     
3    C       -12.9111   52.1446    4.9118  C     
4    C       -12.5405   51.3480    6.1707  C     
5    O       -13.5639   50.4501    6.5935  O     
6    C       -11.2201   50.6894    5.7209  C     
7    C       -10.5895   51.8528    4.8978  C     
8    O       -11.6711   52.7057    4.4603  O     
9    N        -9.5582   52.5769    5.6367  N     
10   C        -8.2788   52.1395    5.6587  C     
11   O        -7.8852   51.1415    5.0722  O     
12   N        -7.3437   52.8047    6.3282  N     
13   C        -7.6357   53.9319    7.0240  C     
14   N        -6.6574   54.5656    7.6916  N     
15   C        -8.9404   54.3984    7.0350  C     
16   C        -9.8688   53.7075    6.3467  C     
17   P       -12.0124   48.2331    5.3268  P     
18   O       -11.7308   47.2417    4.3229  O     
19   O       -11.3644   49.5574    4.8243  O     
20   O       -11.4674   47.7072    6.6688  O     
21   O       -13.5487   48.3098    5.3614  O     
22   H       -13.9235   53.9637    3.3548  H     
23   H       -13.4890   54.1507    5.5552  H     
24   H       -14.7183   52.9048    5.8585  H     
25   H       -13.2898   51.4605    4.1408  H     
26   H       -12.3427   52.0291    7.0057  H     
27   H       -14.2667   51.0156    6.9797  H     
28   H       -10.5922   50.4325    6.5817  H     
29   H       -10.1542   51.4652    3.9706  H     
30   H        -6.8529   55.3725    8.1940  H     
31   H        -5.7521   54.2145    7.6732  H     
32   H        -9.1871   55.2148    7.5455  H     
33   H       -10.8029   54.0449    6.3802  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    8 1
     5    4    5 1
     6    4    6 1
     7    6    7 1
     8    6   19 1
     9    7    8 1
    10    7    9 1
    11    9   10 1
    12    9   16 1
    13   10   11 2
    14   10   12 1
    15   12   13 2
    16   13   14 1
    17   13   15 1
    18   15   16 2
    19   17   18 2
    20   17   19 1
    21   17   20 1
    22   17   21 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    5   27 1
    29    6   28 1
    30    7   29 1
    31   14   30 1
    32   14   31 1
    33   15   32 1
    34   16   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0999
  Crash		| -1.0116
  Polar		| 5.4997
  FragIndex	| 1
  FragRMSD	| 0.226