COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.325  -3.612  -0.257  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.682  -2.938  -0.471  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.388  -0.830   0.206  1.00  0.00           C  
HETATM    4  N   UNL     1       3.887   1.647   1.486  1.00  0.00           N  
HETATM    5  C   UNL     1       3.223   0.392   1.124  1.00  0.00           C  
HETATM    6  C   UNL     1       1.928   0.696   0.416  1.00  0.00           C  
HETATM    7  O   UNL     1       1.753   1.785  -0.089  1.00  0.00           O  
HETATM    8  C   UNL     1       4.132  -0.418   0.198  1.00  0.00           C  
HETATM    9  C   UNL     1       5.375  -0.826   0.945  1.00  0.00           C  
HETATM   10  C   UNL     1       5.403  -2.022   1.638  1.00  0.00           C  
HETATM   11  C   UNL     1       6.489  -0.008   0.934  1.00  0.00           C  
HETATM   12  C   UNL     1       6.543  -2.397   2.325  1.00  0.00           C  
HETATM   13  C   UNL     1       7.629  -0.382   1.620  1.00  0.00           C  
HETATM   14  C   UNL     1       7.655  -1.575   2.318  1.00  0.00           C  
HETATM   15  N   UNL     1       0.963  -0.242   0.344  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.297   0.053  -0.344  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.138  -1.627   1.085  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.133  -0.211  -1.842  1.00  0.00           C  
HETATM   19  C   UNL     1       0.871   0.756  -2.415  1.00  0.00           C  
HETATM   20  C   UNL     1       0.451   1.978  -2.906  1.00  0.00           C  
HETATM   21  C   UNL     1       2.212   0.422  -2.446  1.00  0.00           C  
HETATM   22  C   UNL     1       1.372   2.864  -3.433  1.00  0.00           C  
HETATM   23  C   UNL     1       3.133   1.309  -2.972  1.00  0.00           C  
HETATM   24  C   UNL     1       2.712   2.529  -3.468  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.641  -0.733  -0.280  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.702  -1.591   0.254  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.717  -3.775   0.050  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.059  -0.917   0.039  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.125   0.370   0.864  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.482   1.044   0.650  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.545   2.276   1.440  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.671   3.052   1.408  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.728   4.172   2.126  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.710   2.688   0.657  1.00  0.00           N1+
HETATM   35  C   UNL     1       4.239   2.525   0.525  1.00  0.00           C  
HETATM   36  O   UNL     1       4.005   2.276  -0.638  1.00  0.00           O  
HETATM   37  C   UNL     1       4.922   3.815   0.898  1.00  0.00           C  
HETATM   38  H   UNL     1      -1.530  -2.937  -0.573  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.200  -3.851   0.799  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.845  -2.780  -1.537  1.00  0.00           H  
HETATM   41  H   UNL     1       4.074   1.846   2.417  1.00  0.00           H  
HETATM   42  H   UNL     1       3.018  -0.184   2.026  1.00  0.00           H  
HETATM   43  H   UNL     1       3.604  -1.308  -0.143  1.00  0.00           H  
HETATM   44  H   UNL     1       4.410   0.191  -0.663  1.00  0.00           H  
HETATM   45  H   UNL     1       4.535  -2.664   1.643  1.00  0.00           H  
HETATM   46  H   UNL     1       6.469   0.925   0.389  1.00  0.00           H  
HETATM   47  H   UNL     1       6.565  -3.331   2.866  1.00  0.00           H  
HETATM   48  H   UNL     1       8.500   0.257   1.610  1.00  0.00           H  
HETATM   49  H   UNL     1       8.546  -1.868   2.854  1.00  0.00           H  
HETATM   50  H   UNL     1       1.102  -1.113   0.748  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.561   1.098  -0.185  1.00  0.00           H  
HETATM   52  H   UNL     1       0.217  -1.232  -1.995  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.093  -0.077  -2.341  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.596   2.240  -2.878  1.00  0.00           H  
HETATM   55  H   UNL     1       2.540  -0.531  -2.058  1.00  0.00           H  
HETATM   56  H   UNL     1       1.043   3.819  -3.817  1.00  0.00           H  
HETATM   57  H   UNL     1       4.181   1.049  -2.995  1.00  0.00           H  
HETATM   58  H   UNL     1       3.431   3.221  -3.880  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.841  -0.096  -0.984  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.539  -1.749   1.319  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.635  -3.958   0.996  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.183  -0.678  -1.017  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.854  -1.592   0.355  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.001   0.131   1.921  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.330   1.045   0.549  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.606   1.283  -0.406  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.277   0.368   0.966  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.789   2.541   1.987  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.972   4.438   2.672  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.527   4.723   2.103  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.668   1.872   0.134  1.00  0.00           H  
HETATM   72  H   UNL     1       6.002   3.666   0.902  1.00  0.00           H  
HETATM   73  H   UNL     1       4.665   4.586   0.171  1.00  0.00           H  
HETATM   74  H   UNL     1       4.594   4.127   1.890  1.00  0.00           H  
HETATM   75 CL   UNL     1      -2.247  -5.128  -1.230  1.00  0.00          Cl  
HETATM   76  H   UNL     1      -9.508   3.239   0.634  1.00  0.00           H  
CONECT    1    2   38   39   75                                       
CONECT    2    1   27   26   40                                       
CONECT    3   17   17   16   25                                       
CONECT    4    5   35   41                                            
CONECT    5    6    8    4   42                                       
CONECT    6   15    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    5   43   44                                       
CONECT    9   11   11   10    8                                       
CONECT   10   12   12    9   45                                       
CONECT   11   13    9    9   46                                       
CONECT   12   14   10   10   47                                       
CONECT   13   14   14   11   48                                       
CONECT   14   13   13   12   49                                       
CONECT   15   16    6   50                                            
CONECT   16   18    3   15   51                                       
CONECT   17    3    3                                                 
CONECT   18   19   16   52   53                                       
CONECT   19   20   18   21   21                                       
CONECT   20   22   22   19   54                                       
CONECT   21   19   19   23   55                                       
CONECT   22   20   20   24   56                                       
CONECT   23   24   24   21   57                                       
CONECT   24   22   23   23   58                                       
CONECT   25    3   26   59                                            
CONECT   26    2   25   28   60                                       
CONECT   27    2   61                                                 
CONECT   28   26   29   62   63                                       
CONECT   29   28   30   64   65                                       
CONECT   30   29   31   66   67                                       
CONECT   31   30   32   68                                            
CONECT   32   31   34   34   33                                       
CONECT   33   32   69   70                                            
CONECT   34   32   32   71   76                                       
CONECT   35   37    4   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   72   73   74                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75    1                                                      
CONECT   76   34                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
