@<TRIPOS>MOLECULE
BindingDB_50292722
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        19.9257    6.6557   11.9326  O     
2    C        19.3059    5.3636   11.9463  C     
3    C        20.3281    4.2415   12.2690  C     
4    C        20.7769    4.1919   13.7621  C     
5    O        20.2794    2.9686   14.3578  O     
6    C        22.3181    4.2220   13.6609  C     
7    O        22.9653    3.3937   14.6242  O     
8    C        22.5906    3.7858   12.2071  C     
9    O        21.5163    4.3945   11.4803  O     
10   N        23.8739    4.1839   11.6491  N     
11   C        24.7642    3.2789   11.1765  C     
12   O        24.6298    2.0663   11.2826  O     
13   N        25.8725    3.6882   10.5575  N     
14   C        26.1334    4.9789   10.3785  C     
15   C        25.2932    5.9234   10.8828  C     
16   C        24.1768    5.5131   11.5151  C     
17   P        19.1196    3.0689   15.3921  P     
18   O        19.0475    4.4305   16.1220  O     
19   O        19.1851    1.9887   16.3396  O     
20   O        17.8088    2.9197   14.6014  O     
21   O        27.1384    5.2948    9.7638  O     
22   H        20.0945    6.8394   12.8898  H     
23   H        18.4974    5.3862   12.6909  H     
24   H        18.8609    5.1920   10.9551  H     
25   H        19.8716    3.2857   11.9652  H     
26   H        20.4352    5.0962   14.2876  H     
27   H        22.6588    5.2524   13.8213  H     
28   H        23.5783    4.0070   15.0954  H     
29   H        22.4469    2.7007   12.1546  H     
30   H        26.4853    3.0255   10.2060  H     
31   H        25.5005    6.8929   10.7959  H     
32   H        23.5599    6.2083   11.8753  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    5   17 1
     8    6    7 1
     9    6    8 1
    10    8    9 1
    11    8   10 1
    12   10   11 1
    13   10   16 1
    14   11   12 2
    15   11   13 1
    16   13   14 1
    17   14   15 1
    18   14   21 2
    19   15   16 2
    20   17   18 1
    21   17   19 2
    22   17   20 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    6   27 1
    29    7   28 1
    30    8   29 1
    31   13   30 1
    32   15   31 1
    33   16   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8912
  Crash		| -0.5962
  Polar		| 6.1917
  FragIndex	| 1
  FragRMSD	| 0.192