COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.807  -1.825  -0.225  1.00  0.00           N  
HETATM    2  N   UNL     1       6.982   2.438  -0.477  1.00  0.00           N  
HETATM    3  C   UNL     1       3.510  -0.672  -0.539  1.00  0.00           C  
HETATM    4  C   UNL     1       5.201   0.797  -0.485  1.00  0.00           C  
HETATM    5  C   UNL     1       6.523   1.278  -0.024  1.00  0.00           C  
HETATM    6  C   UNL     1       8.166   2.901  -0.085  1.00  0.00           C  
HETATM    7  C   UNL     1       8.924   2.153   0.812  1.00  0.00           C  
HETATM    8  C   UNL     1       4.442   1.493  -1.352  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.839  -1.812  -0.748  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.976  -0.594   1.106  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.358  -0.350   1.146  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.520   3.651  -2.609  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.010   1.586  -1.444  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.462   1.010  -0.098  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.706  -2.031  -1.818  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.930  -2.519  -1.947  1.00  0.00           C  
HETATM   17  C   UNL     1       1.453  -2.755  -1.995  1.00  0.00           C  
HETATM   18  C   UNL     1       3.573  -3.437   3.118  1.00  0.00           C  
HETATM   19  C   UNL     1       3.039  -2.384   2.145  1.00  0.00           C  
HETATM   20  C   UNL     1       3.376  -2.798   0.711  1.00  0.00           C  
HETATM   21  N   UNL     1       4.676  -0.356  -0.069  1.00  0.00           N  
HETATM   22  N   UNL     1       8.639   4.113  -0.564  1.00  0.00           N  
HETATM   23  C   UNL     1       8.409   0.941   1.266  1.00  0.00           C  
HETATM   24  N   UNL     1       9.128   0.164   2.160  1.00  0.00           N  
HETATM   25  N   UNL     1       7.218   0.540   0.831  1.00  0.00           N  
HETATM   26  S   UNL     1       2.960   0.586  -1.641  1.00  0.00           S  
HETATM   27  C   UNL     1       1.553  -2.056  -0.797  1.00  0.00           C  
HETATM   28  C   UNL     1       0.408  -1.579  -0.175  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.068  -1.305  -0.089  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.120  -0.122   1.718  1.00  0.00           C  
HETATM   31  S   UNL     1      -5.814   0.255   1.933  1.00  0.00           S  
HETATM   32  O   UNL     1      -6.730  -0.831   1.972  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.383   0.950   3.095  1.00  0.00           O  
HETATM   34  N   UNL     1      -6.479   1.391   0.928  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.101   2.809   1.036  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.703   3.314  -0.355  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.787   3.031  -1.304  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.458  -1.061  -0.042  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.678  -1.292  -0.595  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.315  -1.538  -0.662  1.00  0.00           C  
HETATM   41  C   UNL     1       0.214  -2.986  -2.562  1.00  0.00           C  
HETATM   42  C   UNL     1       2.697  -3.271  -2.669  1.00  0.00           C  
HETATM   43  H   UNL     1       9.888   2.504   1.148  1.00  0.00           H  
HETATM   44  H   UNL     1       4.698   2.445  -1.794  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.011  -0.415   1.556  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.589   3.257  -3.014  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.338   3.426  -3.292  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.435   4.731  -2.487  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.083   1.104  -1.753  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.781   1.407  -2.193  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.439   1.414   0.164  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.521  -0.077  -0.166  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.738  -2.144  -2.150  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.136  -1.498  -2.578  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.267  -3.016  -1.657  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.896  -2.701  -2.394  1.00  0.00           H  
HETATM   57  H   UNL     1       3.112  -4.400   2.900  1.00  0.00           H  
HETATM   58  H   UNL     1       4.654  -3.518   3.008  1.00  0.00           H  
HETATM   59  H   UNL     1       3.333  -3.142   4.140  1.00  0.00           H  
HETATM   60  H   UNL     1       1.957  -2.303   2.255  1.00  0.00           H  
HETATM   61  H   UNL     1       3.500  -1.421   2.363  1.00  0.00           H  
HETATM   62  H   UNL     1       2.957  -3.784   0.509  1.00  0.00           H  
HETATM   63  H   UNL     1       4.458  -2.831   0.587  1.00  0.00           H  
HETATM   64  H   UNL     1       9.504   4.444  -0.274  1.00  0.00           H  
HETATM   65  H   UNL     1       8.107   4.629  -1.189  1.00  0.00           H  
HETATM   66  H   UNL     1       9.997   0.463   2.474  1.00  0.00           H  
HETATM   67  H   UNL     1       8.764  -0.679   2.473  1.00  0.00           H  
HETATM   68  H   UNL     1       0.484  -1.029   0.751  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.048   0.425   2.646  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.948   3.386   1.407  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.259   2.912   1.721  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.526   4.389  -0.314  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.794   2.807  -0.679  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.391  -2.089  -1.588  1.00  0.00           H  
HETATM   75  H   UNL     1       0.142  -3.529  -3.493  1.00  0.00           H  
HETATM   76  H   UNL     1       2.927  -4.268  -2.293  1.00  0.00           H  
HETATM   77  H   UNL     1       2.534  -3.318  -3.746  1.00  0.00           H  
HETATM   78  H   UNL     1       3.530  -2.602  -2.457  1.00  0.00           H  
CONECT    1   27    3   20                                            
CONECT    2    6    5    5                                            
CONECT    3   21   21    1   26                                       
CONECT    4    5   21    8    8                                       
CONECT    5    2    2   25    4                                       
CONECT    6   22    7    7    2                                       
CONECT    7    6    6   23   43                                       
CONECT    8    4    4   26   44                                       
CONECT    9   16   16   28   29                                       
CONECT   10   29   30   30   45                                       
CONECT   11   38   38   30   31                                       
CONECT   12   37   46   47   48                                       
CONECT   13   37   14   49   50                                       
CONECT   14   13   34   51   52                                       
CONECT   15   39   53   54   55                                       
CONECT   16   41    9    9   56                                       
CONECT   17   42   41   41   27                                       
CONECT   18   19   57   58   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20    1   19   62   63                                       
CONECT   21    4    3    3                                            
CONECT   22    6   64   65                                            
CONECT   23    7   24   25   25                                       
CONECT   24   23   66   67                                            
CONECT   25   23   23    5                                            
CONECT   26    3    8                                                 
CONECT   27   17    1   28   28                                       
CONECT   28   27   27    9   68                                       
CONECT   29    9   40   40   10                                       
CONECT   30   10   10   11   69                                       
CONECT   31   11   34   33   33                                       
CONECT   31   32   32                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   35   31   14                                            
CONECT   35   36   34   70   71                                       
CONECT   36   37   35   72   73                                       
CONECT   37   12   36   13                                            
CONECT   38   40   39   11   11                                       
CONECT   39   15   38                                                 
CONECT   40   29   29   38   74                                       
CONECT   41   17   17   16   75                                       
CONECT   42   17   76   77   78                                       
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
