@<TRIPOS>MOLECULE
BindingDB_12013
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7887    8.1041   15.7263  C     
2    C        -1.4962    9.1633   16.6048  C     
3    C        -0.4352   10.0432   16.3268  C     
4    C         0.3242    9.8648   15.1545  C     
5    C         0.0266    8.8012   14.2758  C     
6    C        -1.0296    7.8967   14.5468  C     
7    C        -1.3298    6.8100   13.5801  C     
8    N        -2.1164    5.7493   14.1359  N     
9    C        -3.4097    5.4949   13.9434  C     
10   O        -4.0576    6.2457   13.2182  O     
11   C        -4.0738    4.4676   14.6334  C     
12   C        -3.3607    3.4633   15.3416  C     
13   C        -5.4926    4.3907   14.6684  C     
14   C        -6.1585    3.3936   15.4005  C     
15   C        -5.4272    2.4207   16.1079  C     
16   C        -4.0233    2.4539   16.0610  C     
17   S        -6.2216    1.1853   17.0515  S     
18   O        -6.1123   -0.1071   16.1392  O     
19   O        -5.4341    0.8643   18.3941  O     
20   N        -7.8716    1.3746   17.2889  N     
21   H        -2.5799    7.5059   15.9529  H     
22   H        -2.0612    9.2986   17.4487  H     
23   H        -0.2193   10.8102   16.9727  H     
24   H         1.0902   10.5072   14.9475  H     
25   H         0.5908    8.6994   13.4269  H     
26   H        -1.8007    7.2566   12.7010  H     
27   H        -0.3999    6.3552   13.2587  H     
28   H        -1.6575    5.1826   14.7638  H     
29   H        -2.3375    3.4367   15.3344  H     
30   H        -6.0598    5.0709   14.1633  H     
31   H        -7.1822    3.3850   15.4169  H     
32   H        -3.4694    1.7471   16.5554  H     
33   H        -8.4413    0.5832   17.3167  H     
34   H        -8.2668    2.2560   17.3139  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    6    7 1
     8    7    8 1
     9    8    9 am
    10    9   10 2
    11    9   11 1
    12   11   12 1
    13   11   13 2
    14   12   16 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18   15   17 1
    19   17   18 2
    20   17   19 2
    21   17   20 am
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5973
  Crash		| -0.9220
  Polar		| 2.3157
  FragIndex	| 1
  FragRMSD	| 0.884

@<TRIPOS>MOLECULE
BindingDB_12014
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.0668    8.7143   14.2437  C     
2    C         0.4039    9.7715   15.1036  C     
3    C        -0.3686   10.0271   16.2498  C     
4    C        -1.4959    9.2260   16.5179  C     
5    C        -1.8509    8.1765   15.6487  C     
6    C        -1.0588    7.8878   14.5024  C     
7    C        -1.3999    6.8151   13.5233  C     
8    N        -2.1486    5.7356   14.0964  N     
9    C        -3.4481    5.4836   13.9552  C     
10   O        -4.1174    6.2565   13.2692  O     
11   C        -4.0946    4.4466   14.6451  C     
12   C        -3.3708    3.4507   15.3504  C     
13   C        -5.5115    4.3537   14.6815  C     
14   C        -6.1697    3.3509   15.4171  C     
15   C        -5.4246    2.3913   16.1309  C     
16   C        -4.0191    2.4360   16.0737  C     
17   S        -6.2042    1.1348   17.0503  S     
18   O        -6.0870   -0.1515   16.1279  O     
19   O        -5.4212    0.8168   18.3975  O     
20   N        -7.8550    1.3083   17.3049  N     
21   F        -2.9425    7.5080   15.9170  F     
22   H         0.6442    8.5579   13.4094  H     
23   H         1.2137   10.3627   14.8967  H     
24   H        -0.1198   10.7925   16.8805  H     
25   H        -2.0690    9.4281   17.3411  H     
26   H        -1.9239    7.2902   12.6873  H     
27   H        -0.4878    6.3753   13.1110  H     
28   H        -1.6520    5.1473   14.6842  H     
29   H        -2.3454    3.4410   15.3408  H     
30   H        -6.0951    5.0264   14.1783  H     
31   H        -7.1912    3.3300   15.4401  H     
32   H        -3.4604    1.7398   16.5654  H     
33   H        -8.4136    0.5133   17.2763  H     
34   H        -8.2653    2.1815   17.2161  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   21 1
     8    6    7 1
     9    7    8 1
    10    8    9 am
    11    9   10 2
    12    9   11 1
    13   11   12 1
    14   11   13 2
    15   12   16 2
    16   13   14 1
    17   14   15 2
    18   15   16 1
    19   15   17 1
    20   17   18 2
    21   17   19 2
    22   17   20 am
    23    1   22 1
    24    2   23 1
    25    3   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3412
  Crash		| -0.8833
  Polar		| 2.1971
  FragIndex	| 1
  FragRMSD	| 0.879

@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7177    8.0827   15.4869  C     
2    C        -1.4113    9.1389   16.3721  C     
3    C        -0.2846    9.9478   16.1366  C     
4    C         0.5334    9.7009   15.0234  C     
5    C         0.2263    8.6430   14.1499  C     
6    F        -0.0047   10.9407   16.9416  F     
7    C        -0.8966    7.8130   14.3635  C     
8    C        -1.1827    6.7208   13.3918  C     
9    N        -1.9629    5.6608   13.9456  N     
10   C        -3.2763    5.4979   13.8500  C     
11   O        -3.9127    6.2761   13.1443  O     
12   C        -3.9465    4.4985   14.5690  C     
13   C        -5.3657    4.4453   14.5779  C     
14   C        -3.2578    3.5128   15.3300  C     
15   C        -3.9515    2.5220   16.0509  C     
16   C        -5.3565    2.5045   16.0489  C     
17   C        -6.0632    3.4664   15.3063  C     
18   S        -6.1993    1.2805   16.9540  S     
19   O        -6.1793   -0.0053   16.0189  O     
20   O        -5.3860    0.9247   18.2745  O     
21   N        -7.7986    1.6703   17.2779  N     
22   H        -2.5452    7.5186   15.6706  H     
23   H        -2.0116    9.3211   17.1804  H     
24   H         1.3521   10.2850   14.8458  H     
25   H         0.8417    8.4811   13.3489  H     
26   H        -1.6342    7.1560   12.4994  H     
27   H        -0.2441    6.2628   13.0762  H     
28   H        -1.4855    5.0510   14.5224  H     
29   H        -5.9161    5.1352   14.0706  H     
30   H        -2.2371    3.4989   15.3859  H     
31   H        -3.4253    1.8233   16.5777  H     
32   H        -7.0863    3.4650   15.2849  H     
33   H        -8.4328    0.9683   17.4999  H     
34   H        -8.0823    2.6016   17.2734  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0412
  Crash		| -1.0638
  Polar		| 2.6163
  FragIndex	| 1
  FragRMSD	| 0.932

@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7593    7.9850   15.6311  C     
2    C        -1.4470    9.0384   16.5042  C     
3    C        -0.3929    9.9179   16.2056  C     
4    C         0.3392    9.7492   15.0174  C     
5    C         0.0242    8.6978   14.1287  C     
6    C        -1.0272    7.7875   14.4298  C     
7    C        -1.3354    6.6654   13.4901  C     
8    N        -2.1359    5.6196   14.0532  N     
9    C        -3.4595    5.4865   14.0310  C     
10   O        -4.1152    6.3487   13.4582  O     
11   C        -4.1213    4.4426   14.7086  C     
12   C        -5.5400    4.3830   14.7715  C     
13   C        -3.4017    3.4175   15.3863  C     
14   C        -4.0631    2.4084   16.1119  C     
15   C        -5.4671    2.3944   16.1880  C     
16   C        -6.2034    3.3820   15.5094  C     
17   S        -6.2451    1.1612   17.1403  S     
18   O        -6.1328   -0.1354   16.2308  O     
19   O        -5.4695    0.8430   18.4936  O     
20   N        -7.8984    1.3319   17.3731  N     
21   F         0.7214    8.5798   13.0234  F     
22   F         1.3107   10.5804   14.7480  F     
23   H        -2.5340    7.3751   15.8804  H     
24   H        -1.9946    9.1663   17.3600  H     
25   H        -0.1685   10.6778   16.8529  H     
26   H        -1.7853    7.0725   12.5818  H     
27   H        -0.4020    6.1877   13.2043  H     
28   H        -1.6408    4.9317   14.5217  H     
29   H        -6.1110    5.0741   14.2875  H     
30   H        -2.3808    3.3819   15.3682  H     
31   H        -3.5077    1.6970   16.5947  H     
32   H        -7.2241    3.3893   15.5542  H     
33   H        -8.4606    0.5424   17.3101  H     
34   H        -8.2985    2.2088   17.3597  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   22 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    2   24 1
    26    3   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5226
  Crash		| -0.9036
  Polar		| 2.2213
  FragIndex	| 1
  FragRMSD	| 0.858

@<TRIPOS>MOLECULE
BindingDB_12017
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.1028    8.7090   14.1317  C     
2    C         0.4690    9.7752   14.9754  C     
3    C        -0.2873   10.0541   16.1289  C     
4    C        -1.4196    9.2773   16.4209  C     
5    C        -1.7962    8.2190   15.5729  C     
6    F         0.0577   11.0458   16.9063  F     
7    C        -1.0241    7.9008   14.4166  C     
8    C        -1.4009    6.8348   13.4411  C     
9    N        -2.1467    5.7451   13.9949  N     
10   C        -3.4502    5.4856   13.8319  C     
11   O        -4.1128    6.2522   13.1326  O     
12   C        -4.0967    4.4726   14.5413  C     
13   C        -3.3708    3.4586   15.2222  C     
14   C        -5.5102    4.4143   14.6345  C     
15   C        -6.1668    3.4365   15.4050  C     
16   C        -5.4210    2.4592   16.0841  C     
17   C        -4.0228    2.4658   15.9769  C     
18   S        -6.1945    1.2235   17.0358  S     
19   O        -6.0197   -0.0832   16.1588  O     
20   O        -5.4360    0.9606   18.4049  O     
21   N        -7.8540    1.3579   17.2153  N     
22   F        -2.8938    7.5806   15.8858  F     
23   H         0.6674    8.5374   13.2947  H     
24   H         1.2836   10.3451   14.7463  H     
25   H        -1.9875    9.4882   17.2482  H     
26   H        -1.9198    7.3183   12.6147  H     
27   H        -0.4930    6.3797   13.0286  H     
28   H        -1.6638    5.1692   14.6016  H     
29   H        -2.3468    3.4180   15.1694  H     
30   H        -6.0937    5.1084   14.1473  H     
31   H        -7.1852    3.4526   15.4663  H     
32   H        -3.4579    1.7556   16.4501  H     
33   H        -8.4031    0.5547   17.1537  H     
34   H        -8.2797    2.2273   17.1337  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    5   22 1
     9    7    8 1
    10    8    9 1
    11    9   10 am
    12   10   11 2
    13   10   12 1
    14   12   13 1
    15   12   14 2
    16   13   17 2
    17   14   15 1
    18   15   16 2
    19   16   17 1
    20   16   18 1
    21   18   19 2
    22   18   20 2
    23   18   21 am
    24    1   23 1
    25    2   24 1
    26    4   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1720
  Crash		| -0.7632
  Polar		| 2.2822
  FragIndex	| 1
  FragRMSD	| 0.892

@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.2299    8.6092   14.1393  C     
2    C         0.6130    9.7574   14.8469  C     
3    C        -0.1357   10.1817   15.9556  C     
4    C        -1.2854    9.4708   16.3310  C     
5    C        -1.6765    8.3148   15.6181  C     
6    C        -0.9101    7.8514   14.5152  C     
7    C        -1.2567    6.6627   13.6794  C     
8    N        -2.0644    5.6547   14.2803  N     
9    C        -3.3984    5.5571   14.2752  C     
10   O        -4.0366    6.4753   13.7515  O     
11   C        -4.0836    4.5188   14.9059  C     
12   C        -5.5049    4.4869   14.9657  C     
13   C        -3.3950    3.4436   15.5301  C     
14   C        -4.0822    2.3973   16.1672  C     
15   C        -5.4856    2.4062   16.2284  C     
16   C        -6.2023    3.4517   15.6178  C     
17   S        -6.3043    1.1210   17.0760  S     
18   O        -6.0488   -0.1735   16.1985  O     
19   O        -5.6304    0.8266   18.4850  O     
20   N        -7.9829    1.1951   17.1629  N     
21   F        -2.7922    7.7447   15.9871  F     
22   F         1.6621   10.4349   14.4698  F     
23   H         0.7821    8.3255   13.3250  H     
24   H         0.1343   11.0150   16.4766  H     
25   H        -1.8522    9.8034   17.1190  H     
26   H        -1.6998    7.0247   12.7407  H     
27   H        -0.3340    6.1473   13.4063  H     
28   H        -1.5773    4.9332   14.7155  H     
29   H        -6.0623    5.2312   14.5384  H     
30   H        -2.3728    3.4039   15.5407  H     
31   H        -3.5422    1.6429   16.6063  H     
32   H        -7.2214    3.4771   15.6558  H     
33   H        -8.4953    0.4077   16.8937  H     
34   H        -8.4289    2.0528   17.2203  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    3   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1018
  Crash		| -0.9129
  Polar		| 1.8674
  FragIndex	| 1
  FragRMSD	| 0.880

@<TRIPOS>MOLECULE
BindingDB_12019
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.8592    8.2208   15.7055  C     
2    C        -1.5146    9.2292   16.6240  C     
3    C        -0.4209   10.0730   16.3748  C     
4    C         0.3053    9.9308   15.1842  C     
5    C        -0.0301    8.9173   14.2655  C     
6    C        -1.0998    8.0131   14.5210  C     
7    C        -1.4445    6.9629   13.5123  C     
8    N        -2.1599    5.8276   14.0300  N     
9    C        -3.4544    5.5390   13.8548  C     
10   O        -4.1304    6.3009   13.1743  O     
11   C        -4.0886    4.4775   14.5211  C     
12   C        -5.5080    4.4029   14.6084  C     
13   C        -3.3528    3.4546   15.1741  C     
14   C        -3.9930    2.4457   15.9178  C     
15   C        -5.3932    2.4285   16.0303  C     
16   C        -6.1537    3.4062   15.3644  C     
17   S        -6.1561    1.1755   16.9719  S     
18   O        -6.0090   -0.1291   16.0824  O     
19   O        -5.3554    0.8827   18.3113  O     
20   N        -7.8056    1.2898   17.2490  N     
21   F         0.6702    8.8496   13.1625  F     
22   F        -2.9269    7.5241   15.9740  F     
23   H        -2.0649    9.3615   17.4729  H     
24   H        -0.1704   10.8026   17.0492  H     
25   H         1.0799   10.5713   14.9913  H     
26   H        -1.9885    7.4527   12.7053  H     
27   H        -0.5288    6.5532   13.0842  H     
28   H        -1.6552    5.2393   14.6107  H     
29   H        -6.0981    5.0952   14.1355  H     
30   H        -2.3323    3.4262   15.1171  H     
31   H        -3.4218    1.7359   16.3797  H     
32   H        -7.1713    3.4082   15.4287  H     
33   H        -8.3390    0.4744   17.2877  H     
34   H        -8.2420    2.1523   17.2728  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    2   23 1
    25    3   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2342
  Crash		| -1.1098
  Polar		| 2.3391
  FragIndex	| 1
  FragRMSD	| 0.913

@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7851    8.0032   15.5409  C     
2    C        -1.4408    9.0406   16.4289  C     
3    C        -0.3664    9.8990   16.1242  C     
4    C         0.3526    9.7254   14.9279  C     
5    C         0.0038    8.6892   14.0330  C     
6    C        -1.0671    7.8030   14.3334  C     
7    C        -1.4095    6.7174   13.3670  C     
8    N        -2.1746    5.6517   13.9323  N     
9    C        -3.4957    5.5401   13.9636  C     
10   O        -4.1689    6.3933   13.3961  O     
11   C        -4.1400    4.5198   14.6839  C     
12   C        -3.4149    3.4902   15.3471  C     
13   C        -5.5575    4.4841   14.7971  C     
14   C        -6.2115    3.4755   15.5216  C     
15   C        -5.4742    2.4612   16.1567  C     
16   C        -4.0728    2.4739   16.0640  C     
17   S        -6.2594    1.1999   17.0547  S     
18   O        -6.0877   -0.1007   16.1577  O     
19   O        -5.5468    0.9529   18.4586  O     
20   N        -7.9187    1.3774   17.2387  N     
21   F         0.6844    8.5637   12.9220  F     
22   F        -0.0577   10.8638   16.9508  F     
23   F         1.3488   10.5205   14.6444  F     
24   H        -2.5806    7.4108   15.7877  H     
25   H        -1.9773    9.1695   17.2900  H     
26   H        -1.9084    7.1638   12.5024  H     
27   H        -0.4880    6.2543   13.0147  H     
28   H        -1.6610    4.9513   14.3623  H     
29   H        -2.3920    3.4599   15.3203  H     
30   H        -6.1305    5.2025   14.3524  H     
31   H        -7.2297    3.4992   15.5900  H     
32   H        -3.5117    1.7546   16.5264  H     
33   H        -8.4715    0.5852   17.3420  H     
34   H        -8.3284    2.2536   17.1670  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    1   24 1
    26    2   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0282
  Crash		| -0.8647
  Polar		| 2.1389
  FragIndex	| 1
  FragRMSD	| 0.871

@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7667    8.1008   15.5794  C     
2    C        -1.4076    9.1909   16.4027  C     
3    C        -0.2695    9.9645   16.1080  C     
4    C         0.5058    9.6602   14.9783  C     
5    C         0.1654    8.5669   14.1604  C     
6    C        -0.9642    7.7507   14.4599  C     
7    C        -1.2994    6.6008   13.5697  C     
8    N        -2.1526    5.6085   14.1668  N     
9    C        -3.4641    5.4702   14.0041  C     
10   O        -4.0466    6.2690   13.2694  O     
11   C        -4.2118    4.5021   14.6896  C     
12   C        -5.6260    4.5967   14.7830  C     
13   C        -3.5941    3.4014   15.3422  C     
14   C        -4.3458    2.4644   16.0790  C     
15   C        -5.7414    2.5986   16.1809  C     
16   C        -6.3799    3.6684   15.5277  C     
17   S        -6.6674    1.4413   17.0953  S     
18   O        -8.2411    1.6647   17.0922  O     
19   O        -6.4727    0.0465   16.3575  O     
20   N        -6.1105    1.1554   18.6532  N     
21   F         0.9196    8.3355   13.1156  F     
22   F         0.0539   10.9765   16.8640  F     
23   F        -2.8759    7.4593   15.8605  F     
24   H        -1.9839    9.4345   17.2143  H     
25   H         1.3185   10.2360   14.7525  H     
26   H        -1.7189    6.9974   12.6458  H     
27   H        -0.3816    6.0711   13.3058  H     
28   H        -1.7246    5.0183   14.8018  H     
29   H        -6.1360    5.3554   14.3189  H     
30   H        -2.5857    3.2539   15.2789  H     
31   H        -3.8599    1.6911   16.5430  H     
32   H        -7.3929    3.7881   15.5953  H     
33   H        -5.7154    0.2977   18.8750  H     
34   H        -6.2611    1.8154   19.3500  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    2   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7786
  Crash		| -1.3719
  Polar		| 2.1924
  FragIndex	| 1
  FragRMSD	| 0.850

@<TRIPOS>MOLECULE
BindingDB_12022
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.2493    8.6013   14.1222  C     
2    C         0.5470    9.6726   14.9926  C     
3    C        -0.2606    9.9073   16.1141  C     
4    C        -1.3660    9.0682   16.3683  C     
5    C        -1.6661    8.0068   15.4923  C     
6    C        -0.8586    7.7538   14.3557  C     
7    C        -1.1507    6.6492   13.3929  C     
8    N        -1.9520    5.6038   13.9553  N     
9    C        -3.2647    5.4309   13.8358  C     
10   O        -3.9007    6.2162   13.1359  O     
11   C        -3.9493    4.4516   14.5804  C     
12   C        -5.3683    4.4108   14.5811  C     
13   C        -3.2684    3.4814   15.3705  C     
14   C        -3.9731    2.4945   16.0884  C     
15   C        -5.3758    2.4733   16.0624  C     
16   C        -6.0718    3.4333   15.3036  C     
17   S        -6.2328    1.2662   16.9747  S     
18   O        -6.1963   -0.0384   16.0763  O     
19   O        -5.4735    0.9327   18.3298  O     
20   N        -7.8433    1.6677   17.2366  N     
21   F         0.0059   10.8990   16.9204  F     
22   F        -2.1289    9.2743   17.4064  F     
23   F         1.5805   10.4251   14.7458  F     
24   H         0.8509    8.4341   13.3063  H     
25   H        -2.4882    7.4323   15.6847  H     
26   H        -1.5998    7.0722   12.4871  H     
27   H        -0.2086    6.1856   13.0883  H     
28   H        -1.5006    5.0247   14.5786  H     
29   H        -5.9096    5.0901   14.0491  H     
30   H        -2.2450    3.4651   15.4315  H     
31   H        -3.4508    1.8010   16.6206  H     
32   H        -7.0936    3.4287   15.2554  H     
33   H        -8.4890    0.9714   17.4148  H     
34   H        -8.1144    2.5979   17.2358  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   23 1
     5    3    4 2
     6    3   21 1
     7    4    5 1
     8    4   22 1
     9    5    6 2
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    1   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7098
  Crash		| -1.3363
  Polar		| 2.4264
  FragIndex	| 1
  FragRMSD	| 0.925

@<TRIPOS>MOLECULE
BindingDB_12023
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.8027    8.1168   15.5422  C     
2    C        -1.4167    9.1482   16.4023  C     
3    C        -0.2955    9.9456   16.1014  C     
4    C         0.4410    9.6982   14.9290  C     
5    C         0.0713    8.6431   14.0708  C     
6    C        -1.0472    7.8147   14.3719  C     
7    C        -1.4278    6.7424   13.4061  C     
8    N        -2.1528    5.6169   13.9242  N     
9    C        -3.4713    5.3882   13.8126  C     
10   O        -4.1454    6.1622   13.1376  O     
11   C        -4.1001    4.3941   14.5555  C     
12   C        -5.5160    4.3387   14.6473  C     
13   C        -3.3590    3.4096   15.2733  C     
14   C        -4.0081    2.4189   16.0245  C     
15   C        -5.4100    2.3817   16.0962  C     
16   C        -6.1634    3.3537   15.4125  C     
17   S        -6.1940    1.1357   17.0235  S     
18   O        -6.1018   -0.1535   16.1053  O     
19   O        -5.3906    0.8493   18.3627  O     
20   N        -7.8170    1.3704   17.3439  N     
21   F         0.7729    8.4566   12.9781  F     
22   F        -2.9064    7.4976   15.8754  F     
23   F         1.4756   10.4539   14.6445  F     
24   F         0.0421   10.9148   16.9079  F     
25   F        -2.1025    9.3882   17.4889  F     
26   H        -1.9527    7.2085   12.5728  H     
27   H        -0.5253    6.2792   13.0028  H     
28   H        -1.6426    5.0100   14.4736  H     
29   H        -6.1012    5.0232   14.1569  H     
30   H        -2.3405    3.3935   15.2416  H     
31   H        -3.4362    1.7280   16.5235  H     
32   H        -7.1852    3.3645   15.4614  H     
33   H        -8.3551    0.6280   17.6568  H     
34   H        -8.2282    2.2413   17.2053  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    2   25 1
     6    3    4 2
     7    3   24 1
     8    4    5 1
     9    4   23 1
    10    5    6 2
    11    5   21 1
    12    6    7 1
    13    7    8 1
    14    8    9 am
    15    9   10 2
    16    9   11 1
    17   11   12 1
    18   11   13 2
    19   12   16 2
    20   13   14 1
    21   14   15 2
    22   15   16 1
    23   15   17 1
    24   17   18 2
    25   17   19 2
    26   17   20 am
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6155
  Crash		| -1.3020
  Polar		| 2.2487
  FragIndex	| 1
  FragRMSD	| 0.891