@<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

@<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