@<TRIPOS>MOLECULE
BindingDB_14679
 22 22 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.7273   25.6814   18.6238  C     
2    C        19.0442   25.5346   19.9831  C     
3    C        18.2529   26.1600   20.9561  C     
4    C        17.1679   26.9767   20.5778  C     
5    C        16.8467   27.1313   19.2054  C     
6    C        17.6090   26.4486   18.2111  C     
7    C        17.2535   26.5264   16.8646  C     
8    O        17.9276   27.0956   16.0234  O     
9    O        15.7160   27.8293   18.8608  O     
10   P        15.9388   29.2497   18.2448  P     
11   O        14.7920   29.4342   17.3929  O     
12   O        15.9226   30.3701   19.2992  O     
13   O        17.1793   29.4063   17.3402  O     
14   O        16.3848   27.5300   21.5572  O     
15   C        17.0796   28.4501   22.4159  C     
16   H        19.3098   25.1916   17.9421  H     
17   H        19.8374   24.9547   20.2657  H     
18   H        18.4681   26.0173   21.9455  H     
19   H        16.3914   26.1543   16.5447  H     
20   H        17.9756   28.0167   22.8597  H     
21   H        16.4111   28.7333   23.2266  H     
22   H        17.3536   29.3477   21.8714  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   14 1
     7    5    6 2
     8    5    9 1
     9    6    7 1
    10    7    8 2
    11    9   10 1
    12   10   11 2
    13   10   12 1
    14   10   13 1
    15   14   15 1
    16    1   16 1
    17    2   17 1
    18    3   18 1
    19    7   19 1
    20   15   20 1
    21   15   21 1
    22   15   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7112
  Crash		| -0.6864
  Polar		| 6.7373
  FragIndex	| 1
  FragRMSD	| 0.154

@<TRIPOS>MOLECULE
BindingDB_14680
 18 18 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.7705   25.7470   18.6376  C     
2    C        19.0681   25.6694   20.0130  C     
3    C        18.2065   26.2563   20.9526  C     
4    C        17.0694   26.9591   20.5214  C     
5    C        16.7912   27.0965   19.1446  C     
6    C        17.6187   26.4325   18.2005  C     
7    C        17.2751   26.4320   16.8644  C     
8    O        17.8883   27.1532   16.0902  O     
9    O        15.6637   27.7665   18.7497  O     
10   P        15.9317   29.1963   18.1797  P     
11   O        14.7990   29.4470   17.3191  O     
12   O        15.9255   30.2500   19.3000  O     
13   O        17.2060   29.3647   17.3271  O     
14   H        19.4058   25.3005   17.9648  H     
15   H        19.9086   25.1718   20.3259  H     
16   H        18.4120   26.1795   21.9535  H     
17   H        16.4332   27.3698   21.2122  H     
18   H        16.8026   25.6492   16.4872  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5    9 1
     8    6    7 1
     9    7    8 2
    10    9   10 1
    11   10   11 2
    12   10   12 1
    13   10   13 1
    14    1   14 1
    15    2   15 1
    16    3   16 1
    17    4   17 1
    18    7   18 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9677
  Crash		| -0.3712
  Polar		| 6.7706
  FragIndex	| 1
  FragRMSD	| 0.164