COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.768   2.187  -0.229  1.00  0.00           C  
HETATM    2  C   UNL     1       2.307   2.090  -0.589  1.00  0.00           C  
HETATM    3  C   UNL     1       0.021   2.543  -0.105  1.00  0.00           C  
HETATM    4  N   UNL     1       6.952   2.482  -1.756  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.329   2.779  -1.429  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.658   2.788  -1.800  1.00  0.00           C  
HETATM    7  N   UNL     1       1.370   2.534   0.271  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.646   2.562  -0.850  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.995   2.572  -1.227  1.00  0.00           N  
HETATM   10 CL   UNL     1       2.857  -6.323  -1.514  1.00  0.00          Cl  
HETATM   11  C   UNL     1       3.337  -4.679  -1.231  1.00  0.00           C  
HETATM   12  C   UNL     1       4.408  -4.406  -0.397  1.00  0.00           C  
HETATM   13  C   UNL     1       4.793  -3.102  -0.169  1.00  0.00           C  
HETATM   14  C   UNL     1       2.650  -3.644  -1.844  1.00  0.00           C  
HETATM   15  C   UNL     1       3.027  -2.336  -1.623  1.00  0.00           C  
HETATM   16  C   UNL     1       4.102  -2.056  -0.780  1.00  0.00           C  
HETATM   17  C   UNL     1       4.511  -0.653  -0.538  1.00  0.00           C  
HETATM   18  C   UNL     1       5.074  -0.338   0.790  1.00  0.00           C  
HETATM   19  C   UNL     1       6.114   0.540   1.015  1.00  0.00           C  
HETATM   20  S   UNL     1       6.522   0.593   2.671  1.00  0.00           S  
HETATM   21  C   UNL     1       5.258  -0.543   3.101  1.00  0.00           C  
HETATM   22  C   UNL     1       4.968  -1.011   4.503  1.00  0.00           C  
HETATM   23  C   UNL     1       4.594  -0.932   2.026  1.00  0.00           C  
HETATM   24  C   UNL     1       3.444  -1.904   2.077  1.00  0.00           C  
HETATM   25  N   UNL     1       6.721   1.306   0.018  1.00  0.00           N  
HETATM   26  C   UNL     1       6.074   1.816  -1.063  1.00  0.00           C  
HETATM   27  N   UNL     1       8.104   2.411  -1.182  1.00  0.00           N  
HETATM   28  C   UNL     1       8.014   1.696  -0.089  1.00  0.00           C  
HETATM   29  C   UNL     1       9.133   1.370   0.866  1.00  0.00           C  
HETATM   30  N   UNL     1       4.343   0.184  -1.511  1.00  0.00           N  
HETATM   31  C   UNL     1       4.613   1.617  -1.370  1.00  0.00           C  
HETATM   32  O   UNL     1       1.976   1.612  -1.654  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.966   2.322   0.845  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.296   2.326   0.473  1.00  0.00           C  
HETATM   35  H   UNL     1       4.034   3.231  -0.067  1.00  0.00           H  
HETATM   36  H   UNL     1       3.956   1.618   0.681  1.00  0.00           H  
HETATM   37  H   UNL     1       0.440   2.955  -2.167  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.930   2.972  -2.829  1.00  0.00           H  
HETATM   39  H   UNL     1       1.630   2.848   1.152  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.297   3.162  -1.935  1.00  0.00           H  
HETATM   41  H   UNL     1       4.943  -5.217   0.076  1.00  0.00           H  
HETATM   42  H   UNL     1       5.629  -2.890   0.482  1.00  0.00           H  
HETATM   43  H   UNL     1       1.818  -3.862  -2.497  1.00  0.00           H  
HETATM   44  H   UNL     1       2.491  -1.530  -2.102  1.00  0.00           H  
HETATM   45  H   UNL     1       5.662  -0.535   5.196  1.00  0.00           H  
HETATM   46  H   UNL     1       3.946  -0.743   4.772  1.00  0.00           H  
HETATM   47  H   UNL     1       5.085  -2.093   4.557  1.00  0.00           H  
HETATM   48  H   UNL     1       3.828  -2.924   2.052  1.00  0.00           H  
HETATM   49  H   UNL     1       2.880  -1.751   2.998  1.00  0.00           H  
HETATM   50  H   UNL     1       2.791  -1.740   1.220  1.00  0.00           H  
HETATM   51  H   UNL     1       9.615   0.441   0.558  1.00  0.00           H  
HETATM   52  H   UNL     1       9.864   2.178   0.859  1.00  0.00           H  
HETATM   53  H   UNL     1       8.730   1.253   1.872  1.00  0.00           H  
HETATM   54  H   UNL     1       4.363   2.128  -2.300  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.695   2.143   1.875  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.064   2.150   1.212  1.00  0.00           H  
HETATM   57  C   UNL     1      -4.874   1.761  -0.605  1.00  0.00           C  
HETATM   58  O   UNL     1      -4.483   0.958   0.215  1.00  0.00           O  
HETATM   59  C   UNL     1      -6.343   1.852  -0.929  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.114   0.831  -0.091  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.606   0.924  -0.420  1.00  0.00           C  
HETATM   62  C   UNL     1      -9.377  -0.098   0.418  1.00  0.00           C  
HETATM   63  C   UNL     1     -10.869  -0.005   0.089  1.00  0.00           C  
HETATM   64  C   UNL     1     -11.640  -1.027   0.927  1.00  0.00           C  
HETATM   65  C   UNL     1     -13.109  -0.935   0.603  1.00  0.00           C  
HETATM   66  N   UNL     1     -13.988  -1.746   1.225  1.00  0.00           N  
HETATM   67  O   UNL     1     -13.500  -0.132  -0.217  1.00  0.00           O  
HETATM   68  H   UNL     1      -6.703   2.855  -0.701  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.495   1.643  -1.988  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.754  -0.172  -0.319  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.962   1.040   0.968  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.966   1.927  -0.192  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.758   0.714  -1.479  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.017  -1.101   0.190  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.225   0.111   1.477  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.229   0.998   0.317  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.021  -0.214  -0.970  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.280  -2.030   0.699  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.488  -0.817   1.986  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.675  -2.388   1.881  1.00  0.00           H  
HETATM   81  O   UNL     1     -15.368  -1.660   0.920  1.00  0.00           O  
HETATM   82  H   UNL     1     -15.920  -2.281   1.416  1.00  0.00           H  
CONECT    1    2   31   35   36                                       
CONECT    2    7   32   32    1                                       
CONECT    3    5    5   33    7                                       
CONECT    4   26   26   27                                            
CONECT    5    6    3    3   37                                       
CONECT    6    8    8    5   38                                       
CONECT    7    3    2   39                                            
CONECT    8    9    6    6   34                                       
CONECT    9    8   40   57                                            
CONECT   10   11                                                      
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   41                                       
CONECT   13   12   16   16   42                                       
CONECT   14   11   15   15   43                                       
CONECT   15   14   14   16   44                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   30   30   18                                       
CONECT   18   17   23   19   19                                       
CONECT   19   18   18   25   20                                       
CONECT   20   19   21                                                 
CONECT   21   23   23   22   20                                       
CONECT   22   21   45   46   47                                       
CONECT   23   24   18   21   21                                       
CONECT   24   23   48   49   50                                       
CONECT   25   26   19   28                                            
CONECT   26   31    4    4   25                                       
CONECT   27    4   28   28                                            
CONECT   28   25   27   27   29                                       
CONECT   29   28   51   52   53                                       
CONECT   30   17   17   31                                            
CONECT   31   30    1   26   54                                       
CONECT   32    2    2                                                 
CONECT   33   34   34    3   55                                       
CONECT   34    8   33   33   56                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57    9   58   58   59                                       
CONECT   58   57   57                                                 
CONECT   59   57   60   68   69                                       
CONECT   60   59   61   70   71                                       
CONECT   61   60   62   72   73                                       
CONECT   62   61   63   74   75                                       
CONECT   63   62   64   76   77                                       
CONECT   64   63   65   78   79                                       
CONECT   65   64   66   67   67                                       
CONECT   66   65   80   81                                            
CONECT   67   65   65                                                 
CONECT   68   59                                                      
CONECT   69   59                                                      
CONECT   70   60                                                      
CONECT   71   60                                                      
CONECT   72   61                                                      
CONECT   73   61                                                      
CONECT   74   62                                                      
CONECT   75   62                                                      
CONECT   76   63                                                      
CONECT   77   63                                                      
CONECT   78   64                                                      
CONECT   79   64                                                      
CONECT   80   66                                                      
CONECT   81   66   82                                                 
CONECT   82   81                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
