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


@<TRIPOS>ATOM
1    O        41.0361    2.2494   25.9925  O     
2    C        40.7768    1.4869   24.8151  C     
3    C        39.4061    0.7771   24.9147  C     
4    C        38.9865   -0.0101   23.6586  C     
5    O        39.6132   -1.2956   23.6139  O     
6    C        37.4412   -0.0586   23.7679  C     
7    O        36.9578   -1.3026   24.3466  O     
8    C        37.1264    1.0973   24.7660  C     
9    O        38.3677    1.7453   25.0845  O     
10   N        36.1893    2.1057   24.2955  N     
11   C        35.0145    2.3565   24.9191  C     
12   O        34.5694    1.6698   25.8271  O     
13   N        34.2838    3.4112   24.5569  N     
14   C        34.6516    4.2101   23.5594  C     
15   O        33.9486    5.1750   23.2839  O     
16   C        35.7828    3.9533   22.8564  C     
17   C        36.5541    2.9152   23.2523  C     
18   P        36.6590   -2.5066   23.3996  P     
19   O        36.6105   -3.8007   24.2364  O     
20   O        35.2716   -2.3476   22.7614  O     
21   O        37.6670   -2.6591   22.3784  O     
22   H        41.9247    2.6522   25.8319  H     
23   H        40.7890    2.1565   23.9547  H     
24   H        41.5666    0.7454   24.6951  H     
25   H        39.4158    0.1196   25.7920  H     
26   H        39.2688    0.5564   22.7705  H     
27   H        39.3989   -1.6482   22.7132  H     
28   H        36.9900    0.1592   22.7802  H     
29   H        36.7853    0.6540   25.7131  H     
30   H        33.4672    3.6121   25.0455  H     
31   H        36.0655    4.5260   22.1008  H     
32   H        37.4137    2.7593   22.7698  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	| 6.7166
  Crash		| -0.6965
  Polar		| 7.1184
  FragIndex	| 1
  FragRMSD	| 0.512