@<TRIPOS>MOLECULE
BindingDB_14678
 21 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.4434   26.8225   17.9810  C     
2    C        18.0997   26.3215   19.1322  C     
3    C        18.0395   24.9623   19.4708  C     
4    C        17.3062   24.0694   18.6690  C     
5    C        16.6692   24.5375   17.5070  C     
6    C        16.7337   25.9011   17.1659  C     
7    C        17.5647   28.2834   17.6456  C     
8    O        15.3140   28.9437   18.7054  O     
9    O        18.6515   29.8594   15.8729  O     
10   P        18.5801   28.4968   16.3345  P     
11   O        20.0194   28.1214   16.7565  O     
12   O        18.2393   27.6171   15.1093  O     
13   P        16.1049   29.0839   17.5073  P     
14   O        16.3228   30.6047   17.3266  O     
15   O        15.2375   28.6341   16.3178  O     
16   H        18.6599   26.9420   19.7226  H     
17   H        18.5351   24.6183   20.3003  H     
18   H        17.2514   23.0813   18.9264  H     
19   H        16.1575   23.8837   16.9190  H     
20   H        16.2727   26.2228   16.3096  H     
21   H        18.0564   28.8039   18.4705  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    7   10 1
     9    7   13 1
    10    8   13 2
    11    9   10 2
    12   10   11 1
    13   10   12 1
    14   13   14 1
    15   13   15 1
    16    2   16 1
    17    3   17 1
    18    4   18 1
    19    5   19 1
    20    6   20 1
    21    7   21 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1641
  Crash		| -0.4882
  Polar		| 7.6571
  FragIndex	| 1
  FragRMSD	| 0.153

@<TRIPOS>MOLECULE
BindingDB_14683
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.1380   27.1399   19.4414  C     
2    C        19.8674   26.6908   20.5566  C     
3    C        19.7227   25.3753   21.0179  C     
4    C        18.8406   24.5013   20.3648  C     
5    C        18.2388   26.2875   18.7435  C     
6    C        18.1041   24.9488   19.2412  C     
7    C        17.4876   26.6542   17.5772  C     
8    C        17.2622   24.0567   18.5812  C     
9    C        16.6297   24.4242   17.4567  C     
10   C        16.7376   25.6906   16.9745  C     
11   C        17.4980   27.9965   16.9555  C     
12   O        17.5188   27.8831   15.5334  O     
13   P        16.2189   28.9810   17.3911  P     
14   O        15.8449   28.8294   18.7736  O     
15   O        16.5632   30.4551   17.1496  O     
16   O        14.9350   28.7246   16.5865  O     
17   H        19.2986   28.1056   19.1643  H     
18   H        20.5091   27.3293   21.0352  H     
19   H        20.2601   25.0476   21.8262  H     
20   H        18.7534   23.5370   20.7026  H     
21   H        17.1277   23.1390   18.9328  H     
22   H        16.0636   23.7637   16.9756  H     
23   H        16.2423   25.8939   16.1347  H     
24   H        18.3849   28.5663   17.2048  H     
25   H        18.3358   28.3583   15.2640  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    2    3 2
     4    3    4 1
     5    4    6 2
     6    5    6 1
     7    5    7 1
     8    6    8 1
     9    7   10 2
    10    7   11 1
    11    8    9 2
    12    9   10 1
    13   11   12 1
    14   11   13 1
    15   13   14 2
    16   13   15 1
    17   13   16 1
    18    1   17 1
    19    2   18 1
    20    3   19 1
    21    4   20 1
    22    8   21 1
    23    9   22 1
    24   10   23 1
    25   11   24 1
    26   12   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7796
  Crash		| -0.5973
  Polar		| 5.7666
  FragIndex	| 1
  FragRMSD	| 0.385