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


@<TRIPOS>ATOM
1    C        17.2876   24.4577   18.7942  C     
2    C        17.8245   24.8312   20.0392  C     
3    C        18.0950   26.1788   20.3089  C     
4    C        17.8029   27.1570   19.3348  C     
5    C        17.2114   26.7969   18.1112  C     
6    C        17.0036   25.4254   17.7947  C     
7    C        16.5353   24.9929   16.5571  C     
8    O        16.4467   25.7145   15.5720  O     
9    O        17.0283   27.7870   17.1793  O     
10   P        15.9497   28.8629   17.5024  P     
11   O        15.7206   29.0920   18.9091  O     
12   O        16.5666   30.1798   16.9789  O     
13   O        14.6292   28.6889   16.7278  O     
14   H        17.1201   23.4642   18.6201  H     
15   H        18.0459   24.1134   20.7418  H     
16   H        18.5100   26.4567   21.1976  H     
17   H        18.0360   28.1365   19.5227  H     
18   H        16.3446   24.0256   16.4099  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	| 4.7111
  Crash		| -1.3491
  Polar		| 4.4685
  FragIndex	| 1
  FragRMSD	| 1.164

@<TRIPOS>MOLECULE
BindingDB_14685
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.2734   25.6611   17.9757  C     
2    C        18.3288   24.8748   18.5080  C     
3    C        18.6507   24.9280   19.8708  C     
4    C        17.8841   25.7320   20.7322  C     
5    C        16.8038   26.4746   20.2282  C     
6    C        16.5188   26.4899   18.8487  C     
7    C        16.9816   25.5590   16.6306  C     
8    O        17.1072   26.5009   15.8550  O     
9    O        15.3871   27.1418   18.4156  O     
10   O        14.4942   28.8080   16.9422  O     
11   O        15.5723   29.5436   18.9647  O     
12   P        15.6210   28.5482   17.7980  P     
13   O        16.9913   28.6908   17.0693  O     
14   C        17.3212   29.9449   16.4504  C     
15   C        18.8313   30.2955   16.6198  C     
16   C        19.2233   30.5868   18.1060  C     
17   C        19.8055   29.2537   15.9856  C     
18   C        20.0668   27.9935   16.8508  C     
19   C        20.4484   28.3465   18.3115  C     
20   C        19.4318   29.3115   18.9651  C     
21   H        18.9029   24.2863   17.9028  H     
22   H        19.4328   24.3825   20.2412  H     
23   H        18.1009   25.7581   21.7293  H     
24   H        16.2131   26.9969   20.8753  H     
25   H        16.6573   24.6809   16.2589  H     
26   H        17.0845   29.8609   15.3860  H     
27   H        16.7399   30.7828   16.8559  H     
28   H        18.9636   31.2322   16.0713  H     
29   H        20.1606   31.1530   18.1011  H     
30   H        18.4628   31.2206   18.5754  H     
31   H        19.4372   28.9338   15.0075  H     
32   H        20.7670   29.7435   15.8108  H     
33   H        19.1876   27.3533   16.8517  H     
34   H        20.8759   27.4168   16.3978  H     
35   H        20.5249   27.4324   18.8942  H     
36   H        21.4360   28.8100   18.3194  H     
37   H        19.7892   29.6084   19.9549  H     
38   H        18.4840   28.7920   19.1067  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 1
    17   15   17 1
    18   16   20 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    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   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8940
  Crash		| -1.8467
  Polar		| 4.8026
  FragIndex	| 1
  FragRMSD	| 0.787