@<TRIPOS>MOLECULE
BindingDB_14681
 23 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0249   26.0106   18.1187  C     
2    C        17.7013   25.5202   19.2518  C     
3    C        17.5557   26.2023   20.4748  C     
4    C        16.7528   27.3638   20.5872  C     
5    C        16.1290   27.8790   19.4126  C     
6    C        16.2186   27.1723   18.1792  C     
7    C        15.5127   27.6000   17.0553  C     
8    O        16.0474   28.0950   16.0763  O     
9    O        15.3862   29.0388   19.4739  O     
10   P        16.1348   30.2913   18.9087  P     
11   O        15.1536   31.1945   18.3620  O     
12   O        16.8665   31.0790   20.0164  O     
13   O        17.1332   29.9725   17.7806  O     
14   C        16.5683   27.9653   21.8322  C     
15   O        17.4549   28.0766   22.6670  O     
16   C        18.5131   24.2847   19.1478  C     
17   H        17.1047   25.4908   17.2407  H     
18   H        18.0287   25.8258   21.3008  H     
19   H        14.5238   27.5339   17.0260  H     
20   H        15.6786   28.3153   22.0914  H     
21   H        17.8763   23.4550   18.8354  H     
22   H        18.9799   24.0139   20.0969  H     
23   H        19.3029   24.4260   18.4074  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   16 1
     5    3    4 2
     6    4    5 1
     7    4   14 1
     8    5    6 2
     9    5    9 1
    10    6    7 1
    11    7    8 2
    12    9   10 1
    13   10   11 2
    14   10   12 1
    15   10   13 1
    16   14   15 2
    17    1   17 1
    18    3   18 1
    19    7   19 1
    20   14   20 1
    21   16   21 1
    22   16   22 1
    23   16   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8148
  Crash		| -0.9890
  Polar		| 2.6616
  FragIndex	| 1
  FragRMSD	| 0.279

@<TRIPOS>MOLECULE
BindingDB_14688
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.4959   26.8899   17.9851  C     
2    C        17.2846   25.7424   18.2723  C     
3    C        17.7883   25.5090   19.5579  C     
4    C        17.5092   26.4103   20.5942  C     
5    C        16.6925   27.5325   20.3430  C     
6    C        16.2343   27.8186   19.0333  C     
7    C        16.0245   27.0660   16.6924  C     
8    O        15.7569   28.1755   16.2339  O     
9    O        15.3965   28.8892   18.8471  O     
10   O        16.9919   30.1762   17.4819  O     
11   O        15.0459   31.2630   18.2842  O     
12   P        16.1384   30.2295   18.6372  P     
13   O        16.7635   30.7089   19.9903  O     
14   C        17.5060   31.9428   20.0140  C     
15   C        17.9053   32.2878   21.3995  C     
16   C        18.2864   33.5950   21.7570  C     
17   C        17.9873   31.2686   22.3738  C     
18   C        18.4176   31.5449   23.6838  C     
19   C        18.8012   32.8495   24.0289  C     
20   C        18.7358   33.8724   23.0635  C     
21   H        17.4736   25.0459   17.5367  H     
22   H        18.3569   24.6798   19.7297  H     
23   H        17.8842   26.2355   21.5292  H     
24   H        16.4548   28.1430   21.1360  H     
25   H        16.0500   26.3058   16.0490  H     
26   H        18.3919   31.8359   19.3777  H     
27   H        16.8814   32.7558   19.5884  H     
28   H        18.2708   34.3461   21.0664  H     
29   H        17.7342   30.2987   22.1441  H     
30   H        18.4694   30.8001   24.3813  H     
31   H        19.1287   33.0596   24.9693  H     
32   H        19.0362   34.8231   23.3093  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    9 1
     9    7    8 2
    10    9   12 1
    11   10   12 2
    12   11   12 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   15   16 2
    17   15   17 1
    18   16   20 1
    19   17   18 2
    20   18   19 1
    21   19   20 2
    22    2   21 1
    23    3   22 1
    24    4   23 1
    25    5   24 1
    26    7   25 1
    27   14   26 1
    28   14   27 1
    29   16   28 1
    30   17   29 1
    31   18   30 1
    32   19   31 1
    33   20   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4210
  Crash		| -1.1169
  Polar		| 2.7380
  FragIndex	| 1
  FragRMSD	| 1.006