@<TRIPOS>MOLECULE
BindingDB_68248
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3345  -34.4951   -4.7972  C     
2    C        17.3205  -33.4997   -4.7344  C     
3    C        17.1562  -32.7293   -3.5740  C     
4    C        17.9802  -32.9307   -2.4495  C     
5    C        18.9912  -33.9201   -2.5012  C     
6    C        19.1943  -34.7065   -3.6767  C     
7    C        18.4598  -35.2064   -6.0131  C     
8    O        16.5271  -33.2432   -5.8190  O     
9    O        17.8026  -32.1677   -1.3301  O     
10   Cl       19.9085  -34.1545   -1.0867  Cl    
11   O        19.5983  -35.0572   -6.7405  O     
12   O        17.3865  -35.8223   -6.5627  O     
13   C        19.8075  -35.4866   -8.0932  C     
14   C        21.2105  -35.0840   -8.6172  C     
15   C        21.5476  -33.7249   -8.2217  C     
16   C        22.6634  -33.3961   -7.5544  C     
17   C        20.2300  -35.7992   -3.6629  C     
18   C        21.6123  -35.3471   -3.5337  C     
19   C        22.3170  -34.6151   -4.5744  C     
20   C        22.1740  -33.0686   -4.4665  C     
21   C        23.1848  -32.2772   -5.3520  C     
22   C        22.8163  -32.1319   -6.8543  C     
23   O        22.2795  -35.7906   -2.6041  O     
24   H        16.4407  -32.0001   -3.5439  H     
25   H        15.8989  -32.5338   -5.5663  H     
26   H        17.0183  -31.5974   -1.4760  H     
27   H        19.6792  -36.5692   -8.1689  H     
28   H        19.0518  -35.0029   -8.7193  H     
29   H        21.9459  -35.8065   -8.2504  H     
30   H        21.2083  -35.1416   -9.7062  H     
31   H        20.8603  -33.0254   -8.3790  H     
32   H        23.3929  -34.0645   -7.4601  H     
33   H        19.9735  -36.4580   -2.8292  H     
34   H        20.1829  -36.4332   -4.5489  H     
35   H        23.3811  -34.8717   -4.5359  H     
36   H        21.9509  -34.9632   -5.5361  H     
37   H        21.1535  -32.7709   -4.7250  H     
38   H        22.3448  -32.7792   -3.4257  H     
39   H        23.2620  -31.2679   -4.9415  H     
40   H        24.1772  -32.7239   -5.2600  H     
41   H        23.6105  -31.5704   -7.3524  H     
42   H        21.9025  -31.5319   -6.9161  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14   11   13 1
    15   13   14 1
    16   14   15 1
    17   15   16 2
    18   16   22 1
    19   17   18 1
    20   18   19 1
    21   18   23 2
    22   19   20 1
    23   20   21 1
    24   21   22 1
    25    3   24 1
    26    8   25 1
    27    9   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6533
  Crash		| -1.8274
  Polar		| 1.4932
  FragIndex	| 1
  FragRMSD	| 0.810

@<TRIPOS>MOLECULE
BindingDB_68252
 47 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5713  -34.3086   -4.5692  C     
2    C        17.5577  -33.3427   -4.8150  C     
3    C        17.1588  -32.4666   -3.7903  C     
4    C        17.7671  -32.5245   -2.5281  C     
5    C        18.7789  -33.4752   -2.2713  C     
6    C        19.1876  -34.3964   -3.2789  C     
7    C        18.9541  -35.1580   -5.6258  C     
8    O        16.9379  -33.2728   -6.0296  O     
9    O        17.3401  -31.6709   -1.5580  O     
10   Cl       19.4536  -33.4605   -0.7067  Cl    
11   O        19.7987  -34.6862   -6.5881  O     
12   O        18.6202  -36.4671   -5.5630  O     
13   C        20.4870  -35.4412   -7.6044  C     
14   C        21.4352  -34.4968   -8.4035  C     
15   C        22.5164  -33.7745   -7.5479  C     
16   C        22.0175  -32.4803   -6.8405  C     
17   C        20.2030  -35.4523   -2.9333  C     
18   C        21.5521  -34.9332   -2.7681  C     
19   C        22.3525  -34.4522   -3.8731  C     
20   C        22.8167  -32.9774   -3.7142  C     
21   C        23.7705  -32.4871   -4.8482  C     
22   C        23.1022  -31.7241   -6.0263  C     
23   O        22.1005  -35.0526   -1.6770  O     
24   C        19.4863  -36.1567   -8.5467  C     
25   H        16.4244  -31.7791   -3.9723  H     
26   H        16.2226  -32.5928   -5.9358  H     
27   H        16.5219  -31.2428   -1.9088  H     
28   H        21.1085  -36.2064   -7.1229  H     
29   H        21.9646  -35.0935   -9.1522  H     
30   H        20.8474  -33.7440   -8.9470  H     
31   H        22.9108  -34.4810   -6.8173  H     
32   H        23.3540  -33.5016   -8.1991  H     
33   H        21.6488  -31.7986   -7.6118  H     
34   H        21.1796  -32.6926   -6.1761  H     
35   H        19.8667  -35.9585   -2.0198  H     
36   H        20.2582  -36.2414   -3.6793  H     
37   H        23.2317  -35.0954   -3.9716  H     
38   H        21.7878  -34.5441   -4.7998  H     
39   H        21.9459  -32.3175   -3.6493  H     
40   H        23.3580  -32.8878   -2.7634  H     
41   H        24.4897  -31.7897   -4.4028  H     
42   H        24.3618  -33.3229   -5.2389  H     
43   H        23.8891  -31.4119   -6.7155  H     
44   H        22.6470  -30.8210   -5.6176  H     
45   H        18.9630  -36.9498   -8.0161  H     
46   H        20.0114  -36.6000   -9.3914  H     
47   H        18.7549  -35.4331   -8.9130  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14   11   13 1
    15   13   14 1
    16   13   24 1
    17   14   15 1
    18   15   16 1
    19   16   22 1
    20   17   18 1
    21   18   19 1
    22   18   23 2
    23   19   20 1
    24   20   21 1
    25   21   22 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   15   32 1
    34   16   33 1
    35   16   34 1
    36   17   35 1
    37   17   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   22   43 1
    45   22   44 1
    46   24   45 1
    47   24   46 1
    48   24   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1920
  Crash		| -3.8914
  Polar		| 1.2690
  FragIndex	| 1
  FragRMSD	| 1.217

@<TRIPOS>MOLECULE
BindingDB_68253
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8354  -34.8119   -4.6287  C     
2    C        17.5468  -34.2315   -4.4815  C     
3    C        17.2006  -33.5538   -3.2996  C     
4    C        18.1313  -33.4099   -2.2622  C     
5    C        19.3716  -34.0782   -2.3396  C     
6    C        19.7552  -34.7605   -3.5341  C     
7    C        19.1479  -35.4174   -5.8789  C     
8    O        16.6280  -34.2883   -5.4998  O     
9    O        17.8061  -32.5963   -1.2064  O     
10   Cl       20.3725  -33.9952   -0.9625  Cl    
11   O        20.3451  -35.2114   -6.4990  O     
12   O        18.2598  -36.2903   -6.4183  O     
13   C        20.7619  -35.7686   -7.7627  C     
14   C        22.3130  -35.7329   -7.9146  C     
15   C        22.9057  -34.4088   -7.8026  C     
16   C        24.0260  -34.1410   -7.1124  C     
17   C        21.1055  -35.4131   -3.6097  C     
18   C        22.2342  -34.5539   -3.9736  C     
19   C        22.3294  -33.1069   -3.7581  C     
20   C        22.7125  -32.2664   -5.0089  C     
21   C        24.2211  -32.3298   -5.4151  C     
22   C        24.4896  -32.7848   -6.8722  C     
23   O        23.2625  -35.1386   -4.2759  O     
24   C        20.0304  -35.0382   -8.9158  C     
25   C        16.2398  -32.9956   -5.9943  C     
26   C        18.3649  -31.2752   -1.3527  C     
27   H        16.2822  -33.1104   -3.2143  H     
28   H        20.4665  -36.8236   -7.7937  H     
29   H        22.7356  -36.4082   -7.1647  H     
30   H        22.5832  -36.1320   -8.8938  H     
31   H        22.4317  -33.6498   -8.2321  H     
32   H        24.5245  -34.8858   -6.6803  H     
33   H        21.3390  -35.8864   -2.6550  H     
34   H        21.0660  -36.2518   -4.3063  H     
35   H        21.3814  -32.7050   -3.4071  H     
36   H        23.0525  -32.9190   -2.9596  H     
37   H        22.0640  -32.5535   -5.8385  H     
38   H        22.4689  -31.2238   -4.7912  H     
39   H        24.6545  -31.3331   -5.3006  H     
40   H        24.7748  -32.9828   -4.7381  H     
41   H        25.5665  -32.7561   -7.0625  H     
42   H        24.0265  -32.0665   -7.5560  H     
43   H        18.9500  -35.1690   -8.8288  H     
44   H        20.3563  -35.4256   -9.8814  H     
45   H        20.2426  -33.9699   -8.8795  H     
46   H        17.1021  -32.3523   -6.1744  H     
47   H        15.5793  -32.5057   -5.2788  H     
48   H        15.7033  -33.1403   -6.9333  H     
49   H        19.4569  -31.3017   -1.3425  H     
50   H        18.0372  -30.6665   -0.5124  H     
51   H        18.0229  -30.7912   -2.2693  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14    8   25 1
    15    9   26 1
    16   11   13 1
    17   13   14 1
    18   13   24 1
    19   14   15 1
    20   15   16 2
    21   16   22 1
    22   17   18 1
    23   18   19 1
    24   18   23 2
    25   19   20 1
    26   20   21 1
    27   21   22 1
    28    3   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
    44   24   43 1
    45   24   44 1
    46   24   45 1
    47   25   46 1
    48   25   47 1
    49   25   48 1
    50   26   49 1
    51   26   50 1
    52   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8813
  Crash		| -2.9523
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.963

@<TRIPOS>MOLECULE
BindingDB_68257
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.8672  -34.6902   -4.8779  C     
2    C        17.6731  -33.9477   -5.1088  C     
3    C        17.0586  -33.2377   -4.0601  C     
4    C        17.5940  -33.2759   -2.7634  C     
5    C        18.7661  -34.0171   -2.5063  C     
6    C        19.4468  -34.6891   -3.5672  C     
7    C        19.3760  -35.4752   -5.9400  C     
8    O        17.0694  -33.9365   -6.3372  O     
9    O        16.9572  -32.5728   -1.7960  O     
10   O        19.6275  -34.9157   -7.1553  O     
11   O        19.4785  -36.8126   -5.7775  O     
12   C        20.0489  -35.5592   -8.3729  C     
13   C        21.4860  -36.1741   -8.3320  C     
14   C        22.5125  -35.2248   -7.9436  C     
15   C        23.3577  -35.4163   -6.9195  C     
16   C        20.7753  -35.3414   -3.2923  C     
17   C        21.8110  -34.4298   -2.7974  C     
18   C        22.1154  -33.1236   -3.3877  C     
19   C        22.6218  -33.1988   -4.8515  C     
20   C        23.9683  -33.9696   -4.9945  C     
21   C        24.2831  -34.3995   -6.4516  C     
22   O        22.4732  -34.7905   -1.8256  O     
23   C        19.9094  -34.4923   -9.4862  C     
24   Cl       19.2931  -34.0976   -0.8843  Cl    
25   H        16.2060  -32.7045   -4.2390  H     
26   H        16.5036  -33.1324   -6.3663  H     
27   H        17.6545  -32.0242   -1.3548  H     
28   H        19.3440  -36.3726   -8.5954  H     
29   H        21.4688  -37.0545   -7.6667  H     
30   H        21.7337  -36.5507   -9.3313  H     
31   H        22.5939  -34.4012   -8.4783  H     
32   H        23.3191  -36.2797   -6.4098  H     
33   H        20.6017  -36.1478   -2.5767  H     
34   H        21.1944  -35.8080   -4.1781  H     
35   H        21.2132  -32.5200   -3.3586  H     
36   H        22.8696  -32.6058   -2.7897  H     
37   H        21.8419  -33.6612   -5.4633  H     
38   H        22.7570  -32.1779   -5.2240  H     
39   H        24.7758  -33.3286   -4.6329  H     
40   H        23.9599  -34.8640   -4.3687  H     
41   H        25.2909  -34.8203   -6.4816  H     
42   H        24.2788  -33.5086   -7.0904  H     
43   H        18.8600  -34.2181   -9.6000  H     
44   H        20.2733  -34.8803  -10.4393  H     
45   H        20.4859  -33.5993   -9.2247  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   24 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   12   23 1
    17   13   14 1
    18   14   15 2
    19   15   21 1
    20   16   17 1
    21   17   18 1
    22   17   22 2
    23   18   19 1
    24   19   20 1
    25   20   21 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   12   28 1
    30   13   29 1
    31   13   30 1
    32   14   31 1
    33   15   32 1
    34   16   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.1895
  Crash		| -3.9457
  Polar		| 0.1260
  FragIndex	| 1
  FragRMSD	| 1.463

@<TRIPOS>MOLECULE
BindingDB_68258
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3467  -34.5193   -4.9444  C     
2    C        17.2652  -33.6089   -4.7922  C     
3    C        17.0447  -32.9421   -3.5785  C     
4    C        17.9002  -33.1400   -2.4916  C     
5    C        18.9832  -34.0355   -2.5958  C     
6    C        19.2256  -34.7378   -3.8181  C     
7    C        18.5190  -35.1459   -6.2220  C     
8    O        16.4464  -33.3011   -5.8378  O     
9    O        17.6529  -32.4303   -1.3580  O     
10   O        19.7293  -35.1691   -6.8467  O     
11   O        17.4332  -35.6181   -6.8778  O     
12   C        20.0800  -35.6783   -8.1540  C     
13   C        21.6217  -35.5262   -8.3549  C     
14   C        22.2665  -34.2625   -8.0564  C     
15   C        25.1693  -31.5470   -1.7263  C     
16   C        20.4065  -35.6744   -3.8746  C     
17   C        21.6857  -34.9740   -3.9844  C     
18   C        21.8929  -33.7970   -4.8084  C     
19   C        22.3778  -32.5256   -4.0499  C     
20   C        23.9093  -32.4162   -3.7525  C     
21   C        24.3282  -32.6159   -2.2559  C     
22   O        22.6966  -35.5399   -3.5521  O     
23   C        19.6527  -37.1556   -8.3479  C     
24   Cl       19.9486  -34.2264   -1.2008  Cl    
25   C        26.4645  -31.3987   -2.0188  C     
26   C        21.7043  -33.0492   -7.9567  C     
27   H        16.2626  -32.2860   -3.4924  H     
28   H        16.0437  -32.4351   -5.6390  H     
29   H        18.3454  -31.7297   -1.3452  H     
30   H        19.5672  -35.0668   -8.9119  H     
31   H        22.1053  -36.2910   -7.7487  H     
32   H        21.8494  -35.7446   -9.3993  H     
33   H        23.2568  -34.3082   -7.9127  H     
34   H        24.7492  -30.8687   -1.1268  H     
35   H        20.3838  -36.2954   -2.9667  H     
36   H        20.3388  -36.3897   -4.6893  H     
37   H        22.5875  -34.0368   -5.6171  H     
38   H        20.9460  -33.5222   -5.2782  H     
39   H        22.1253  -31.6652   -4.6906  H     
40   H        21.7994  -32.4012   -3.1394  H     
41   H        24.4722  -33.1097   -4.3776  H     
42   H        24.2252  -31.4113   -4.0635  H     
43   H        24.8558  -33.5701   -2.1513  H     
44   H        23.4358  -32.6744   -1.6238  H     
45   H        20.0580  -37.7747   -7.5422  H     
46   H        20.0152  -37.5375   -9.3092  H     
47   H        18.5642  -37.2416   -8.3430  H     
48   H        26.9691  -30.6226   -1.6590  H     
49   H        26.9366  -32.0383   -2.6141  H     
50   H        22.2674  -32.2481   -7.7778  H     
51   H        20.7245  -32.9307   -8.0757  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   24 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   12   23 1
    17   13   14 1
    18   14   26 2
    19   15   21 1
    20   15   25 2
    21   16   17 1
    22   17   18 1
    23   17   22 2
    24   18   19 1
    25   19   20 1
    26   20   21 1
    27    3   27 1
    28    8   28 1
    29    9   29 1
    30   12   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   15   34 1
    35   16   35 1
    36   16   36 1
    37   18   37 1
    38   18   38 1
    39   19   39 1
    40   19   40 1
    41   20   41 1
    42   20   42 1
    43   21   43 1
    44   21   44 1
    45   23   45 1
    46   23   46 1
    47   23   47 1
    48   25   48 1
    49   25   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0756
  Crash		| -1.5171
  Polar		| 1.4729
  FragIndex	| 1
  FragRMSD	| 0.810

@<TRIPOS>MOLECULE
BindingDB_68260
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3379  -34.4813   -4.7381  C     
2    C        17.2183  -33.6102   -4.6550  C     
3    C        16.9667  -32.9053   -3.4653  C     
4    C        17.8100  -33.0486   -2.3544  C     
5    C        18.9169  -33.9286   -2.4136  C     
6    C        19.2109  -34.6430   -3.6159  C     
7    C        18.5595  -35.1228   -5.9824  C     
8    O        16.4033  -33.3940   -5.7235  O     
9    O        17.5372  -32.3306   -1.2317  O     
10   O        19.6964  -34.8475   -6.6716  O     
11   O        17.5623  -35.8280   -6.5692  O     
12   C        19.9654  -35.2218   -8.0288  C     
13   C        21.3498  -34.7128   -8.4991  C     
14   C        21.5705  -33.3175   -8.1453  C     
15   C        20.3908  -35.5673   -3.6484  C     
16   C        21.6748  -34.8811   -3.5270  C     
17   C        22.1305  -33.8675   -4.4687  C     
18   C        23.1181  -34.4726   -5.5041  C     
19   C        23.5715  -33.5102   -6.6345  C     
20   C        22.5183  -32.8022   -7.3417  C     
21   O        22.4781  -35.2828   -2.6944  O     
22   Cl       19.8517  -34.0981   -1.0012  Cl    
23   H        16.1702  -32.2700   -3.4119  H     
24   H        15.8772  -32.5942   -5.5288  H     
25   H        17.0885  -31.5090   -1.5219  H     
26   H        19.9151  -36.3088   -8.1367  H     
27   H        19.1928  -34.7812   -8.6655  H     
28   H        22.1282  -35.3713   -8.1126  H     
29   H        21.3931  -34.7958   -9.5888  H     
30   H        20.9280  -32.6686   -8.5430  H     
31   H        20.2676  -36.2850   -2.8336  H     
32   H        20.4305  -36.1720   -4.5549  H     
33   H        21.2786  -33.4280   -4.9865  H     
34   H        22.6238  -33.0552   -3.9219  H     
35   H        24.0153  -34.8072   -4.9725  H     
36   H        22.6651  -35.3604   -5.9394  H     
37   H        24.2446  -32.7700   -6.1854  H     
38   H        24.1673  -34.0672   -7.3631  H     
39   H        22.5017  -31.8117   -7.2227  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   22 1
    11    6   15 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   20 2
    18   15   16 1
    19   16   17 1
    20   16   21 2
    21   17   18 1
    22   18   19 1
    23   19   20 1
    24    3   23 1
    25    8   24 1
    26    9   25 1
    27   12   26 1
    28   12   27 1
    29   13   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   15   32 1
    34   17   33 1
    35   17   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2458
  Crash		| -1.3176
  Polar		| 1.5118
  FragIndex	| 1
  FragRMSD	| 0.887

@<TRIPOS>MOLECULE
BindingDB_68261
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3751  -34.4327   -4.7305  C     
2    C        17.2493  -33.5719   -4.6899  C     
3    C        16.9837  -32.8135   -3.5370  C     
4    C        17.8129  -32.9152   -2.4095  C     
5    C        18.9225  -33.7933   -2.4216  C     
6    C        19.2425  -34.5427   -3.5951  C     
7    C        18.6038  -35.1244   -5.9335  C     
8    O        16.4355  -33.4345   -5.7732  O     
9    O        17.5298  -32.1685   -1.2977  O     
10   O        19.5905  -34.7006   -6.7629  O     
11   O        17.7433  -36.1034   -6.3265  O     
12   C        19.8842  -35.2238   -8.0637  C     
13   C        20.9928  -34.4058   -8.7618  C     
14   C        22.2127  -34.3507   -7.9811  C     
15   C        22.6682  -33.2235   -7.4062  C     
16   C        20.4456  -35.4387   -3.6008  C     
17   C        21.7143  -34.7316   -3.4632  C     
18   C        22.1483  -33.6865   -4.3812  C     
19   C        23.7332  -33.2139   -6.4163  C     
20   O        22.4819  -35.0556   -2.5658  O     
21   Cl       19.8237  -33.9233   -0.9858  Cl    
22   C        23.4347  -34.0896   -5.1669  C     
23   H        16.1807  -32.1822   -3.5108  H     
24   H        15.8730  -32.6518   -5.6221  H     
25   H        16.9689  -31.4202   -1.6040  H     
26   H        20.1750  -36.2760   -7.9866  H     
27   H        18.9783  -35.1631   -8.6767  H     
28   H        21.2218  -34.8625   -9.7220  H     
29   H        20.6077  -33.4030   -8.9610  H     
30   H        22.6812  -35.2119   -7.8014  H     
31   H        22.2102  -32.3613   -7.5957  H     
32   H        20.3247  -36.1652   -2.7905  H     
33   H        20.5180  -36.0363   -4.5120  H     
34   H        21.3474  -33.4657   -5.0852  H     
35   H        22.3412  -32.7716   -3.8184  H     
36   H        24.6532  -33.5705   -6.8867  H     
37   H        23.9123  -32.1844   -6.0868  H     
38   H        24.2917  -34.0248   -4.4895  H     
39   H        23.3550  -35.1348   -5.4832  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   21 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   19 1
    19   16   17 1
    20   17   18 1
    21   17   20 2
    22   18   22 1
    23   19   22 1
    24    3   23 1
    25    8   24 1
    26    9   25 1
    27   12   26 1
    28   12   27 1
    29   13   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   19   36 1
    38   19   37 1
    39   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2694
  Crash		| -1.6715
  Polar		| 1.5267
  FragIndex	| 1
  FragRMSD	| 0.851

@<TRIPOS>MOLECULE
BindingDB_68262
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5657  -34.2163   -4.7259  C     
2    C        17.3218  -33.5415   -4.7678  C     
3    C        16.8762  -32.8241   -3.6493  C     
4    C        17.6700  -32.7358   -2.4993  C     
5    C        18.9241  -33.3847   -2.4502  C     
6    C        19.3930  -34.1413   -3.5633  C     
7    C        18.9398  -34.9574   -5.8652  C     
8    O        16.5316  -33.5812   -5.8767  O     
9    O        17.1758  -32.0176   -1.4570  O     
10   O        19.2694  -34.3167   -7.0169  O     
11   O        18.9611  -36.3066   -5.7864  O     
12   C        19.6789  -34.9056   -8.2604  C     
13   C        21.1229  -34.4874   -8.6358  C     
14   C        22.0889  -34.5363   -7.5500  C     
15   C        22.2528  -35.6035   -6.7526  C     
16   C        20.7753  -34.7426   -3.5697  C     
17   C        21.7622  -33.9551   -4.3051  C     
18   C        23.0972  -34.4563   -4.6052  C     
19   O        21.5203  -32.7979   -4.6242  O     
20   Cl       19.8291  -33.1809   -1.0280  Cl    
21   C        23.1532  -35.6462   -5.6076  C     
22   H        15.9701  -32.3512   -3.6771  H     
23   H        15.9802  -32.7617   -5.8659  H     
24   H        17.8544  -31.3391   -1.2535  H     
25   H        19.6076  -35.9952   -8.2323  H     
26   H        18.9987  -34.5644   -9.0400  H     
27   H        21.4739  -35.1343   -9.4417  H     
28   H        21.0885  -33.4635   -9.0188  H     
29   H        22.6278  -33.7204   -7.3685  H     
30   H        21.7112  -36.4185   -6.9301  H     
31   H        21.1615  -34.8893   -2.5601  H     
32   H        20.7244  -35.7413   -4.0019  H     
33   H        23.7118  -33.6504   -5.0201  H     
34   H        23.5753  -34.7594   -3.6704  H     
35   H        22.9578  -36.5676   -5.0499  H     
36   H        24.1742  -35.7288   -5.9865  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   20 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   21 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   21 1
    23    3   22 1
    24    8   23 1
    25    9   24 1
    26   12   25 1
    27   12   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   21   35 1
    37   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2671
  Crash		| -1.6970
  Polar		| 1.3881
  FragIndex	| 1
  FragRMSD	| 1.459

@<TRIPOS>MOLECULE
BindingDB_68263
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.3742  -34.3236   -4.4341  C     
2    C        17.3732  -33.3931   -4.8173  C     
3    C        16.9124  -32.4353   -3.8997  C     
4    C        17.4405  -32.3750   -2.6067  C     
5    C        18.4341  -33.2913   -2.2034  C     
6    C        18.9241  -34.2820   -3.1093  C     
7    C        18.8221  -35.2472   -5.4101  C     
8    O        16.8153  -33.4060   -6.0657  O     
9    O        16.9614  -31.4015   -1.7858  O     
10   O        19.2538  -34.7831   -6.6068  O     
11   O        18.9254  -36.5641   -5.1399  O     
12   C        19.8502  -35.5615   -7.6504  C     
13   C        20.3270  -34.6408   -8.7908  C     
14   C        21.1165  -33.5349   -8.2704  C     
15   C        22.4534  -33.5722   -8.1753  C     
16   C        20.0065  -35.2360   -2.6772  C     
17   C        21.2730  -35.0410   -3.3670  C     
18   C        22.0747  -33.8362   -3.1842  C     
19   O        21.7704  -35.9974   -3.9428  O     
20   Cl       18.9888  -33.1345   -0.6055  Cl    
21   C        23.2456  -32.5344   -7.5346  C     
22   C        24.2020  -33.1105   -6.4605  C     
23   C        23.5107  -33.9303   -5.3429  C     
24   C        22.4727  -33.1300   -4.5064  C     
25   H        16.1890  -31.7693   -4.1735  H     
26   H        16.0631  -32.7673   -6.0489  H     
27   H        17.7378  -31.0706   -1.2822  H     
28   H        20.7081  -36.1055   -7.2466  H     
29   H        19.1254  -36.2834   -8.0299  H     
30   H        20.8928  -35.2317   -9.5147  H     
31   H        19.4519  -34.2484   -9.3105  H     
32   H        20.6334  -32.7571   -7.8838  H     
33   H        22.9371  -34.3674   -8.5391  H     
34   H        20.2344  -35.1758   -1.6129  H     
35   H        19.6431  -36.2533   -2.8096  H     
36   H        21.5308  -33.1100   -2.5737  H     
37   H        22.9764  -34.1008   -2.6254  H     
38   H        23.8500  -32.0437   -8.2975  H     
39   H        22.6183  -31.7633   -7.0801  H     
40   H        24.9353  -33.7583   -6.9548  H     
41   H        24.7586  -32.2858   -6.0032  H     
42   H        23.0220  -34.7967   -5.7956  H     
43   H        24.2932  -34.3105   -4.6791  H     
44   H        21.5738  -32.9508   -5.1034  H     
45   H        22.8994  -32.1552   -4.2502  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   20 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   21 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   24 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   12   28 1
    30   12   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   15   33 1
    35   16   34 1
    36   16   35 1
    37   18   36 1
    38   18   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   23   42 1
    44   23   43 1
    45   24   44 1
    46   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.4645
  Crash		| -4.2578
  Polar		| 1.2633
  FragIndex	| 1
  FragRMSD	| 1.220

@<TRIPOS>MOLECULE
BindingDB_68266
 48 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6234  -34.3834   -4.5665  C     
2    C        17.7477  -33.2617   -4.6550  C     
3    C        17.5520  -32.4621   -3.5236  C     
4    C        18.1605  -32.7907   -2.2916  C     
5    C        18.9772  -33.9399   -2.1787  C     
6    C        19.2813  -34.7166   -3.3307  C     
7    C        18.7636  -35.1912   -5.7111  C     
8    O        17.0979  -32.9488   -5.8098  O     
9    O        17.8911  -31.9817   -1.2214  O     
10   O        19.8791  -35.0408   -6.4830  O     
11   O        17.8060  -36.1078   -6.0149  O     
12   C        20.2075  -35.8187   -7.6364  C     
13   C        21.4822  -35.2433   -8.2891  C     
14   C        21.2570  -33.8620   -8.7028  C     
15   C        21.9304  -32.7553   -8.3300  C     
16   C        20.1897  -35.9124   -3.2010  C     
17   C        21.5394  -35.6430   -2.7059  C     
18   C        22.5374  -34.9081   -3.4674  C     
19   O        21.9189  -36.1993   -1.6783  O     
20   C        23.1370  -32.6974   -7.5200  C     
21   C        22.8238  -32.4664   -6.0184  C     
22   Cl       19.5354  -34.3257   -0.6089  Cl    
23   C        22.5868  -33.4073   -3.0500  C     
24   C        23.8096  -32.6290   -3.6049  C     
25   C        24.0592  -32.7799   -5.1293  C     
26   H        16.9551  -31.6297   -3.5830  H     
27   H        16.4421  -32.2605   -5.5717  H     
28   H        16.9857  -31.5921   -1.3589  H     
29   H        20.3765  -36.8504   -7.3355  H     
30   H        19.3820  -35.7994   -8.3473  H     
31   H        22.3087  -35.3543   -7.5793  H     
32   H        21.7286  -35.8349   -9.1813  H     
33   H        20.4890  -33.7133   -9.3170  H     
34   H        21.5621  -31.8783   -8.6243  H     
35   H        19.6904  -36.5973   -2.5113  H     
36   H        20.2983  -36.4645   -4.1398  H     
37   H        23.5290  -35.3420   -3.2971  H     
38   H        22.3282  -35.0082   -4.5392  H     
39   H        23.7291  -33.6088   -7.6626  H     
40   H        23.7560  -31.8629   -7.8765  H     
41   H        22.5083  -31.4273   -5.8638  H     
42   H        21.9835  -33.1056   -5.7424  H     
43   H        21.6685  -32.9018   -3.3668  H     
44   H        22.6296  -33.3288   -1.9589  H     
45   H        23.6845  -31.5655   -3.3776  H     
46   H        24.7065  -32.9749   -3.0895  H     
47   H        24.3904  -33.8023   -5.3309  H     
48   H        24.8735  -32.1103   -5.4184  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   22 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   20 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   23 1
    23   20   21 1
    24   21   25 1
    25   23   24 1
    26   24   25 1
    27    3   26 1
    28    8   27 1
    29    9   28 1
    30   12   29 1
    31   12   30 1
    32   13   31 1
    33   13   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   18   37 1
    39   18   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   23   43 1
    45   23   44 1
    46   24   45 1
    47   24   46 1
    48   25   47 1
    49   25   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.8766
  Crash		| -3.9847
  Polar		| 1.3373
  FragIndex	| 1
  FragRMSD	| 1.223