@<TRIPOS>MOLECULE
BindingDB_25401
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4110   90.8549   34.0860  C     
2    C        47.8735   92.1441   33.9340  C     
3    C        48.3899   93.2335   34.6719  C     
4    C        49.4395   92.9987   35.5885  C     
5    C        49.9684   91.7054   35.7598  C     
6    C        49.4866   90.6367   34.9732  C     
7    O        47.9269   89.8384   33.3324  O     
8    O        50.0237   89.3862   35.0556  O     
9    C        51.1873   89.1490   34.3524  C     
10   C        51.9778   88.0530   34.7692  C     
11   C        51.5947   89.8915   33.2113  C     
12   C        52.7937   89.5810   32.5402  C     
13   C        53.5866   88.5038   32.9802  C     
14   C        53.1704   87.7386   34.0845  C     
15   Cl       51.5218   87.1024   36.0923  Cl    
16   Cl       55.0365   88.1306   32.1898  Cl    
17   C        47.8438   94.5871   34.4351  C     
18   H        47.1160   92.2891   33.2601  H     
19   H        49.8368   93.7711   36.1333  H     
20   H        50.7245   91.5466   36.4296  H     
21   H        48.6674   89.5862   32.7422  H     
22   H        51.0286   90.6672   32.8668  H     
23   H        53.0810   90.1433   31.7375  H     
24   H        53.7417   86.9468   34.3957  H     
25   H        47.9871   94.8574   33.3870  H     
26   H        48.3345   95.3409   35.0542  H     
27   H        46.7740   94.6056   34.6578  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    7   21 1
    23   11   22 1
    24   12   23 1
    25   14   24 1
    26   17   25 1
    27   17   26 1
    28   17   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.4805
  Crash		| -0.6229
  Polar		| 1.3246
  FragIndex	| 1
  FragRMSD	| 0.243

@<TRIPOS>MOLECULE
BindingDB_25402
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4252   90.9305   34.1031  C     
2    C        47.9285   92.2455   34.1005  C     
3    C        48.5237   93.2470   34.9053  C     
4    C        49.6065   92.8895   35.7433  C     
5    C        50.0844   91.5685   35.7721  C     
6    C        49.5244   90.5966   34.9175  C     
7    O        47.8658   90.0058   33.2799  O     
8    O        50.0032   89.3198   34.8783  O     
9    C        51.1985   89.1060   34.2272  C     
10   C        52.0048   88.0516   34.7007  C     
11   C        51.6183   89.8269   33.0748  C     
12   C        52.8454   89.5288   32.4506  C     
13   C        53.6547   88.4885   32.9496  C     
14   C        53.2256   87.7505   34.0675  C     
15   Cl       51.5289   87.1223   36.0348  Cl    
16   Cl       55.1302   88.1280   32.1989  Cl    
17   C        48.0395   94.5793   34.8642  C     
18   C        48.9205   95.6672   34.6369  C     
19   C        48.4348   96.9875   34.5989  C     
20   C        47.0669   97.2397   34.7890  C     
21   C        46.1816   96.1747   35.0201  C     
22   C        46.6631   94.8539   35.0503  C     
23   H        47.1407   92.4740   33.4934  H     
24   H        50.0443   93.5849   36.3534  H     
25   H        50.8607   91.3224   36.3915  H     
26   H        48.5743   89.7620   32.6478  H     
27   H        51.0391   90.5752   32.6874  H     
28   H        53.1431   90.0620   31.6360  H     
29   H        53.8067   86.9825   34.4195  H     
30   H        49.9178   95.5042   34.4829  H     
31   H        49.0800   97.7624   34.4334  H     
32   H        46.7125   98.2015   34.7723  H     
33   H        45.1887   96.3569   35.1678  H     
34   H        46.0042   94.0918   35.2267  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   17   22 2
    21   18   19 2
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28    7   26 1
    29   11   27 1
    30   12   28 1
    31   14   29 1
    32   18   30 1
    33   19   31 1
    34   20   32 1
    35   21   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4491
  Crash		| -1.1071
  Polar		| 1.2713
  FragIndex	| 1
  FragRMSD	| 0.124

@<TRIPOS>MOLECULE
BindingDB_25403
 25 26 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.7072   91.7304   34.2683  C     
2    C        48.4781   93.0213   34.7862  C     
3    C        49.0812   93.4123   35.9992  C     
4    C        49.9002   92.4986   36.6937  C     
5    C        50.1300   91.2125   36.1724  C     
6    C        49.5595   90.8307   34.9418  C     
7    O        48.0939   91.3623   33.1212  O     
8    O        49.7603   89.5700   34.4431  O     
9    C        51.0474   89.3171   34.0255  C     
10   C        51.7935   88.2711   34.6163  C     
11   C        51.5957   90.0059   32.9180  C     
12   C        52.8675   89.6740   32.4211  C     
13   C        53.6037   88.6327   33.0166  C     
14   C        53.0662   87.9329   34.1124  C     
15   Cl       51.1762   87.3858   35.9252  Cl    
16   Cl       55.1204   88.2127   32.3959  Cl    
17   C        48.8550   94.6004   36.4906  C     
18   N        48.6516   95.6391   36.9321  N     
19   H        47.8582   93.6586   34.2779  H     
20   H        50.3233   92.7504   37.5932  H     
21   H        50.7068   90.5536   36.6939  H     
22   H        47.1875   91.1037   33.3995  H     
23   H        51.0649   90.7545   32.4689  H     
24   H        53.2483   90.1892   31.6266  H     
25   H        53.6031   87.1762   34.5432  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 3
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    7   22 1
    24   11   23 1
    25   12   24 1
    26   14   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.3483
  Crash		| -0.6044
  Polar		| 1.9040
  FragIndex	| 1
  FragRMSD	| 0.761

@<TRIPOS>MOLECULE
BindingDB_25407
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.3891   90.9180   34.0565  C     
2    C        47.8270   92.1991   33.9409  C     
3    C        48.3270   93.2864   34.6996  C     
4    C        49.3761   93.0401   35.6217  C     
5    C        49.9329   91.7567   35.7490  C     
6    C        49.4678   90.6990   34.9378  C     
7    O        47.8971   89.9114   33.2917  O     
8    O        50.0132   89.4497   35.0222  O     
9    C        51.1770   89.2060   34.3257  C     
10   C        51.9608   88.1025   34.7467  C     
11   C        51.5950   89.9341   33.1780  C     
12   C        52.7876   89.6015   32.5033  C     
13   C        53.5726   88.5218   32.9562  C     
14   C        53.1486   87.7727   34.0680  C     
15   Cl       51.4880   87.1582   36.0673  Cl    
16   Cl       55.0126   88.1285   32.1518  Cl    
17   C        47.7552   94.6448   34.5022  C     
18   C        46.2777   94.7564   34.9525  C     
19   H        47.0638   92.3488   33.2814  H     
20   H        49.7462   93.8005   36.1986  H     
21   H        50.6899   91.5943   36.4130  H     
22   H        48.6416   89.6232   32.7198  H     
23   H        51.0393   90.7152   32.8226  H     
24   H        53.0829   90.1393   31.6920  H     
25   H        53.7090   86.9746   34.3875  H     
26   H        48.3346   95.3939   35.0500  H     
27   H        47.8209   94.9014   33.4404  H     
28   H        45.6366   94.1164   34.3410  H     
29   H        45.9393   95.7893   34.8396  H     
30   H        46.1757   94.4669   36.0013  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23    7   22 1
    24   11   23 1
    25   12   24 1
    26   14   25 1
    27   17   26 1
    28   17   27 1
    29   18   28 1
    30   18   29 1
    31   18   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.2716
  Crash		| -0.5958
  Polar		| 1.3096
  FragIndex	| 1
  FragRMSD	| 0.284

@<TRIPOS>MOLECULE
BindingDB_25408
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4841   90.8869   34.0319  C     
2    C        47.9753   92.1938   33.9509  C     
3    C        48.5428   93.2425   34.7142  C     
4    C        49.5889   92.9375   35.6164  C     
5    C        50.0821   91.6229   35.7222  C     
6    C        49.5634   90.6060   34.8922  C     
7    O        47.9459   89.9137   33.2538  O     
8    O        50.0480   89.3309   34.9316  O     
9    C        51.2319   89.0865   34.2707  C     
10   C        52.0279   88.0219   34.7541  C     
11   C        51.6582   89.7834   33.1103  C     
12   C        52.8827   89.4653   32.4862  C     
13   C        53.6820   88.4230   33.0001  C     
14   C        53.2466   87.6977   34.1221  C     
15   Cl       51.5435   87.1185   36.1036  Cl    
16   Cl       55.1583   88.0438   32.2639  Cl    
17   C        48.0211   94.6290   34.5575  C     
18   C        48.4638   95.3123   33.2317  C     
19   C        49.9426   95.7605   33.2014  C     
20   H        47.1889   92.3813   33.3249  H     
21   H        50.0023   93.6692   36.1985  H     
22   H        50.8348   91.4134   36.3789  H     
23   H        48.6726   89.6063   32.6681  H     
24   H        51.0921   90.5334   32.7126  H     
25   H        53.1924   89.9922   31.6652  H     
26   H        53.8168   86.9291   34.4873  H     
27   H        46.9286   94.5817   34.5739  H     
28   H        48.3216   95.2595   35.4008  H     
29   H        48.2819   94.6435   32.3870  H     
30   H        47.8464   96.2013   33.0823  H     
31   H        50.1407   96.4744   34.0046  H     
32   H        50.1590   96.2451   32.2461  H     
33   H        50.6088   94.9052   33.3150  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   18   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24    7   23 1
    25   11   24 1
    26   12   25 1
    27   14   26 1
    28   17   27 1
    29   17   28 1
    30   18   29 1
    31   18   30 1
    32   19   31 1
    33   19   32 1
    34   19   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.0654
  Crash		| -0.7907
  Polar		| 1.2869
  FragIndex	| 1
  FragRMSD	| 0.176

@<TRIPOS>MOLECULE
BindingDB_25409
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.3981   90.8681   34.0534  C     
2    C        47.7198   92.1004   34.0210  C     
3    C        48.0716   93.1489   34.9012  C     
4    C        49.1415   92.9363   35.8017  C     
5    C        49.8451   91.7175   35.8183  C     
6    C        49.4735   90.6779   34.9451  C     
7    O        47.9640   89.8517   33.2642  O     
8    O        50.0692   89.4482   35.0211  O     
9    C        51.2444   89.2208   34.3384  C     
10   C        52.0157   88.1020   34.7343  C     
11   C        51.6665   89.9711   33.2121  C     
12   C        52.8495   89.6424   32.5284  C     
13   C        53.6202   88.5418   32.9446  C     
14   C        53.1993   87.7705   34.0439  C     
15   Cl       51.5367   87.1252   36.0374  Cl    
16   Cl       55.0417   88.1440   32.1184  Cl    
17   C        47.2688   94.4053   34.9474  C     
18   C        48.0328   95.7400   34.7260  C     
19   C        48.8137   95.8485   33.3813  C     
20   C        50.3154   95.4948   33.4969  C     
21   H        46.9313   92.2076   33.3789  H     
22   H        49.4067   93.6640   36.4678  H     
23   H        50.6059   91.5753   36.4874  H     
24   H        48.7303   89.5738   32.7204  H     
25   H        51.1107   90.7610   32.8771  H     
26   H        53.1396   90.2030   31.7246  H     
27   H        53.7532   86.9623   34.3384  H     
28   H        46.4580   94.3705   34.2138  H     
29   H        46.7915   94.4517   35.9270  H     
30   H        47.2843   96.5416   34.7455  H     
31   H        48.7047   95.9274   35.5685  H     
32   H        48.3471   95.2130   32.6222  H     
33   H        48.7517   96.8809   33.0205  H     
34   H        50.8236   96.2016   34.1579  H     
35   H        50.7813   95.5510   32.5112  H     
36   H        50.4502   94.4873   33.8923  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25    7   24 1
    26   11   25 1
    27   12   26 1
    28   14   27 1
    29   17   28 1
    30   17   29 1
    31   18   30 1
    32   18   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9208
  Crash		| -0.6372
  Polar		| 1.3171
  FragIndex	| 1
  FragRMSD	| 0.514

@<TRIPOS>MOLECULE
BindingDB_25410
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4250   90.8926   34.1158  C     
2    C        47.9480   92.2170   34.0533  C     
3    C        48.4376   93.2143   34.9304  C     
4    C        49.3965   92.8460   35.9000  C     
5    C        49.9055   91.5334   35.9397  C     
6    C        49.4427   90.5530   35.0334  C     
7    O        47.9542   89.9588   33.2449  O     
8    O        49.9584   89.2913   35.0205  O     
9    C        51.1543   89.1071   34.3514  C     
10   C        51.9933   88.0443   34.7673  C     
11   C        51.5285   89.8627   33.2151  C     
12   C        52.7310   89.5932   32.5340  C     
13   C        53.5670   88.5415   32.9607  C     
14   C        53.1896   87.7627   34.0765  C     
15   Cl       51.5759   87.0761   36.0940  Cl    
16   Cl       55.0068   88.2167   32.1396  Cl    
17   C        47.9706   94.6299   34.8206  C     
18   C        49.0757   95.7374   34.9238  C     
19   C        50.4722   95.3798   34.3331  C     
20   C        48.5917   97.0751   34.2885  C     
21   H        47.2566   92.4548   33.3391  H     
22   H        49.7424   93.5350   36.5729  H     
23   H        50.6368   91.2935   36.6144  H     
24   H        48.7002   89.7553   32.6472  H     
25   H        50.9260   90.6129   32.8713  H     
26   H        52.9964   90.1577   31.7229  H     
27   H        53.7869   86.9914   34.3787  H     
28   H        47.4243   94.7505   33.8799  H     
29   H        47.2277   94.7981   35.6055  H     
30   H        49.2421   95.9394   35.9860  H     
31   H        50.9265   94.5684   34.9051  H     
32   H        51.1429   96.2461   34.3974  H     
33   H        50.4004   95.0837   33.2866  H     
34   H        48.4465   96.9530   33.2108  H     
35   H        49.3256   97.8665   34.4524  H     
36   H        47.6487   97.3881   34.7387  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   18   19 1
    21   18   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25    7   24 1
    26   11   25 1
    27   12   26 1
    28   14   27 1
    29   17   28 1
    30   17   29 1
    31   18   30 1
    32   19   31 1
    33   19   32 1
    34   19   33 1
    35   20   34 1
    36   20   35 1
    37   20   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4075
  Crash		| -0.7804
  Polar		| 1.2820
  FragIndex	| 1
  FragRMSD	| 0.146

@<TRIPOS>MOLECULE
BindingDB_25414
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4240   90.9838   34.0885  C     
2    C        47.9461   92.3076   34.1104  C     
3    C        48.5381   93.2765   34.9585  C     
4    C        49.5819   92.8732   35.8244  C     
5    C        50.0693   91.5522   35.7929  C     
6    C        49.5187   90.6119   34.8963  C     
7    O        47.8316   90.0764   33.2695  O     
8    O        49.9746   89.3257   34.8376  O     
9    C        51.1912   89.1236   34.2235  C     
10   C        52.0129   88.0798   34.7139  C     
11   C        51.6086   89.8312   33.0683  C     
12   C        52.8359   89.5399   32.4455  C     
13   C        53.6567   88.5153   32.9540  C     
14   C        53.2426   87.7825   34.0852  C     
15   Cl       51.5419   87.1472   36.0538  Cl    
16   Cl       55.1366   88.1651   32.2107  Cl    
17   C        48.0850   94.6246   34.9276  C     
18   C        48.9494   95.7241   34.6400  C     
19   C        48.4010   97.0313   34.5758  C     
20   C        47.0299   97.2530   34.7861  C     
21   C        46.1809   96.1691   35.0625  C     
22   C        46.7062   94.8677   35.1409  C     
23   C        50.3975   95.5444   34.3389  C     
24   H        47.1786   92.5683   33.4868  H     
25   H        50.0018   93.5389   36.4792  H     
26   H        50.8374   91.2779   36.4103  H     
27   H        48.5267   89.8122   32.6199  H     
28   H        51.0177   90.5654   32.6749  H     
29   H        53.1258   90.0697   31.6228  H     
30   H        53.8352   87.0308   34.4508  H     
31   H        48.9952   97.8407   34.3741  H     
32   H        46.6455   98.2006   34.7336  H     
33   H        45.1821   96.3281   35.2175  H     
34   H        46.0648   94.0960   35.3507  H     
35   H        50.9160   95.1623   35.2178  H     
36   H        50.8833   96.4820   34.0589  H     
37   H        50.5173   94.8424   33.5155  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   17 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   16 1
    19   17   18 1
    20   17   22 2
    21   18   19 2
    22   18   23 1
    23   19   20 1
    24   20   21 2
    25   21   22 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   19   31 1
    34   20   32 1
    35   21   33 1
    36   22   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3176
  Crash		| -1.2372
  Polar		| 1.2226
  FragIndex	| 1
  FragRMSD	| 0.133

@<TRIPOS>MOLECULE
BindingDB_25417
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4583   90.8537   34.2099  C     
2    C        48.1501   92.2221   34.0940  C     
3    C        48.7611   93.1799   34.9421  C     
4    C        49.5841   92.7116   35.9979  C     
5    C        49.8844   91.3439   36.1233  C     
6    C        49.3793   90.4195   35.1854  C     
7    O        47.9255   89.9677   33.3401  O     
8    O        49.8127   89.1201   35.1695  O     
9    C        50.9940   88.9009   34.4802  C     
10   C        51.8651   87.8890   34.9467  C     
11   C        51.3316   89.5815   33.2813  C     
12   C        52.5390   89.3176   32.6142  C     
13   C        53.4210   88.3455   33.1176  C     
14   C        53.0769   87.6249   34.2754  C     
15   Cl       51.4658   86.9630   36.3102  Cl    
16   C        48.6747   94.5728   34.6488  C     
17   C        48.6543   95.5571   35.6633  C     
18   C        48.7647   96.9232   35.3427  C     
19   C        48.8859   97.3484   34.0009  C     
20   C        48.8662   96.3733   32.9846  C     
21   C        48.7520   95.0112   33.3058  C     
22   Cl       54.8905   88.0489   32.3287  Cl    
23   C        49.0769   98.7798   33.6785  C     
24   H        47.5081   92.5218   33.3538  H     
25   H        50.0324   93.3677   36.6423  H     
26   H        50.5332   91.0331   36.8554  H     
27   H        48.4606   90.0598   32.5233  H     
28   H        50.7063   90.2897   32.8917  H     
29   H        52.7725   89.8372   31.7672  H     
30   H        53.7115   86.9062   34.6310  H     
31   H        48.6014   95.2876   36.6490  H     
32   H        48.8113   97.6045   36.1018  H     
33   H        48.9845   96.6404   32.0039  H     
34   H        48.7834   94.3369   32.5423  H     
35   H        48.1915   99.3435   33.9780  H     
36   H        49.2402   98.9425   32.6103  H     
37   H        49.9478   99.1631   34.2113  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   16 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   22 1
    19   16   17 1
    20   16   21 2
    21   17   18 2
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3843
  Crash		| -2.4763
  Polar		| 1.2939
  FragIndex	| 1
  FragRMSD	| 1.045

@<TRIPOS>MOLECULE
BindingDB_25419
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.2169   90.8190   34.4088  C     
2    C        47.6359   92.0900   34.5491  C     
3    C        48.1289   93.0197   35.4985  C     
4    C        49.1923   92.6211   36.3453  C     
5    C        49.7638   91.3438   36.2158  C     
6    C        49.3138   90.4545   35.2158  C     
7    O        47.7536   89.9808   33.4580  O     
8    O        49.8599   89.2113   35.0703  O     
9    C        51.0441   89.1139   34.3728  C     
10   C        51.9569   88.1015   34.7519  C     
11   C        51.3343   89.9039   33.2369  C     
12   C        52.5307   89.7109   32.5180  C     
13   C        53.4456   88.7145   32.9103  C     
14   C        53.1503   87.9076   34.0269  C     
15   Cl       51.6296   87.0883   36.0702  Cl    
16   C        47.5606   94.4001   35.5702  C     
17   Cl       54.8696   88.4510   32.0248  Cl    
18   C        48.2938   95.3582   34.6919  C     
19   C        49.3695   97.5369   34.3348  C     
20   C        49.5165   97.2383   32.9699  C     
21   C        49.1073   95.9918   32.4706  C     
22   C        48.4785   95.0661   33.3154  C     
23   C        48.7764   96.5952   35.1938  C     
24   H        46.8661   92.3593   33.9368  H     
25   H        49.5439   93.2596   37.0587  H     
26   H        50.5279   91.0755   36.8279  H     
27   H        48.5505   89.7324   32.9204  H     
28   H        50.6781   90.6244   32.9224  H     
29   H        52.7309   90.2952   31.6988  H     
30   H        53.8016   87.1714   34.3087  H     
31   H        46.5152   94.3975   35.2602  H     
32   H        47.5608   94.7365   36.6108  H     
33   H        49.6682   98.4475   34.7002  H     
34   H        49.9042   97.9339   32.3310  H     
35   H        49.2401   95.7655   31.4847  H     
36   H        48.1616   94.1747   32.9227  H     
37   H        48.6704   96.8306   36.1860  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   16 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   17 1
    19   16   18 1
    20   18   22 2
    21   18   23 1
    22   19   20 1
    23   19   23 2
    24   20   21 2
    25   21   22 1
    26    2   24 1
    27    4   25 1
    28    5   26 1
    29    7   27 1
    30   11   28 1
    31   12   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   22   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7559
  Crash		| -1.4879
  Polar		| 1.3143
  FragIndex	| 1
  FragRMSD	| 0.595

@<TRIPOS>MOLECULE
BindingDB_25423
 33 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        48.4023   90.8739   34.1200  C     
2    C        47.9119   92.1902   34.0956  C     
3    C        48.4900   93.1906   34.9132  C     
4    C        49.5576   92.8350   35.7715  C     
5    C        50.0349   91.5148   35.8124  C     
6    C        49.4864   90.5388   34.9550  C     
7    O        47.8654   89.9535   33.2839  O     
8    O        49.9766   89.2648   34.9087  O     
9    C        51.1677   89.0666   34.2486  C     
10   C        52.0167   88.0429   34.7290  C     
11   C        51.5467   89.7696   33.0744  C     
12   C        52.7688   89.4962   32.4284  C     
13   C        53.6154   88.4896   32.9350  C     
14   C        53.2336   87.7624   34.0771  C     
15   Cl       51.5877   87.1266   36.0865  Cl    
16   C        48.0087   94.5220   34.8631  C     
17   C        46.6351   94.8043   35.0575  C     
18   C        46.1636   96.1286   35.0195  C     
19   C        48.8772   95.6149   34.6243  C     
20   C        47.0763   97.1657   34.7707  C     
21   N        48.3915   96.8820   34.5831  N     
22   Cl       55.0893   88.1552   32.1656  Cl    
23   H        47.1490   92.4208   33.4519  H     
24   H        49.9860   93.5358   36.3833  H     
25   H        50.7997   91.2703   36.4458  H     
26   H        48.6157   89.6535   32.7305  H     
27   H        50.9385   90.4923   32.6810  H     
28   H        53.0314   90.0239   31.5976  H     
29   H        53.8438   87.0211   34.4320  H     
30   H        45.9708   94.0476   35.2474  H     
31   H        45.1781   96.3288   35.1705  H     
32   H        49.8771   95.4679   34.4653  H     
33   H        46.7586   98.1365   34.7398  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    3   16 1
     7    4    5 1
     8    5    6 2
     9    6    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 1
    13   10   14 1
    14   10   15 1
    15   11   12 2
    16   12   13 1
    17   13   14 2
    18   13   22 1
    19   16   17 1
    20   16   19 2
    21   17   18 2
    22   18   20 1
    23   19   21 1
    24   20   21 2
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28    7   26 1
    29   11   27 1
    30   12   28 1
    31   14   29 1
    32   17   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.9952
  Crash		| -1.1221
  Polar		| 1.2820
  FragIndex	| 1
  FragRMSD	| 0.100