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


@<TRIPOS>ATOM
1    O        31.7928   10.7762    4.6554  O     
2    C        31.8392   10.5836    6.0723  C     
3    C        31.3623   11.8483    6.8268  C     
4    C        31.7989   13.1700    6.1732  C     
5    O        30.9730   13.4774    5.0510  O     
6    C        31.7260   14.1987    7.3224  C     
7    C        31.7871   13.2763    8.5861  C     
8    O        31.9016   11.9151    8.1367  O     
9    N        32.8893   13.5364    9.5151  N     
10   C        32.6761   13.8909   10.8033  C     
11   O        31.5821   14.1787   11.2637  O     
12   N        33.6753   13.8895   11.6803  N     
13   C        34.9353   13.5594   11.3198  C     
14   N        35.8805   13.4535   12.2735  N     
15   C        35.2110   13.2912    9.9879  C     
16   C        34.1786   13.2947    9.1179  C     
17   P        30.4048   16.2865    6.5275  P     
18   O        30.9187   17.3854    7.3199  O     
19   O        30.4844   14.9342    7.3047  O     
20   O        31.1033   16.2575    5.1442  O     
21   O        28.9206   16.5915    6.2828  O     
22   H        30.8295   10.7536    4.4426  H     
23   H        31.2177    9.7195    6.3342  H     
24   H        32.8801   10.3408    6.3430  H     
25   H        30.2699   11.8030    6.9059  H     
26   H        32.8350   13.1001    5.8298  H     
27   H        31.4342   14.1839    4.5499  H     
28   H        32.5992   14.8586    7.3201  H     
29   H        30.8208   13.3272    9.1005  H     
30   H        36.7695   13.1448   12.0450  H     
31   H        35.6501   13.6142   13.2071  H     
32   H        36.1364   13.0790    9.6914  H     
33   H        34.3812   13.0765    8.1683  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	| 7.2592
  Crash		| -0.8040
  Polar		| 7.1751
  FragIndex	| 1
  FragRMSD	| 0.492