@<TRIPOS>MOLECULE
BindingDB_50292723
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        19.5298    6.4720   11.3857  O     
2    C        19.3338    5.0741   11.1627  C     
3    C        20.3140    4.1851   11.9777  C     
4    C        20.8378    4.8419   13.2703  C     
5    O        19.8025    4.8920   14.2486  O     
6    C        22.0638    3.9688   13.6147  C     
7    O        21.7039    2.8214   14.4264  O     
8    C        22.5061    3.4863   12.1904  C     
9    O        21.4988    3.8897   11.2373  O     
10   N        23.7895    3.9910   11.7008  N     
11   C        24.7578    3.1689   11.2375  C     
12   O        24.7146    1.9480   11.3183  O     
13   N        25.8314    3.6716   10.6284  N     
14   C        25.9954    4.9808   10.4655  C     
15   O        26.9721    5.3851    9.8519  O     
16   C        25.0792    5.8502   10.9721  C     
17   C        23.9862    5.3428   11.5744  C     
18   P        21.4487    2.9964   15.9557  P     
19   O        22.7313    2.9429   16.8053  O     
20   O        20.6214    4.2340   16.3364  O     
21   O        20.5637    1.9174   16.3472  O     
22   H        20.4067    6.6747   10.9760  H     
23   H        18.2993    4.8173   11.4411  H     
24   H        19.4697    4.8737   10.0997  H     
25   H        19.8022    3.2369   12.2186  H     
26   H        21.1755    5.8651   13.0684  H     
27   H        20.0739    5.6101   14.8575  H     
28   H        22.8583    4.5586   14.0855  H     
29   H        22.4833    2.3908   12.1766  H     
30   H        26.4961    3.0588   10.2615  H     
31   H        25.1975    6.8325   10.8813  H     
32   H        23.3006    5.9823   11.9111  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    9 1
     5    4    5 1
     6    4    6 1
     7    6    7 1
     8    6    8 1
     9    7   18 1
    10    8    9 1
    11    8   10 1
    12   10   11 1
    13   10   17 1
    14   11   12 2
    15   11   13 1
    16   13   14 1
    17   14   15 2
    18   14   16 1
    19   16   17 2
    20   18   19 1
    21   18   20 1
    22   18   21 2
    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    8   29 1
    31   13   30 1
    32   16   31 1
    33   17   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0254
  Crash		| -0.9621
  Polar		| 5.8564
  FragIndex	| 1
  FragRMSD	| 0.762