COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.707  -1.741  -0.596  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.151  -0.711  -0.122  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.483  -0.543  -0.005  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.267   0.306   0.313  1.00  0.00           C  
HETATM    5  S   UNL     1      -6.749   1.841   1.023  1.00  0.00           S  
HETATM    6  C   UNL     1      -5.123   2.329   1.195  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287   1.391   0.744  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.895   0.251   0.252  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.190  -0.838  -0.256  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.815  -0.769  -0.396  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.138   0.285   0.049  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.102  -1.812  -1.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.459  -3.099  -1.602  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.316  -3.661  -2.027  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.258  -2.832  -1.747  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.704  -1.698  -1.126  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.110  -0.603  -0.655  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.820   0.355  -0.082  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.161   1.476   0.398  1.00  0.00           N  
HETATM   20  C   UNL     1       1.217   1.619   0.194  1.00  0.00           C  
HETATM   21  C   UNL     1       1.765   2.882  -0.019  1.00  0.00           C  
HETATM   22  O   UNL     1       0.962   3.980  -0.026  1.00  0.00           O  
HETATM   23  C   UNL     1       1.591   5.244  -0.250  1.00  0.00           C  
HETATM   24  C   UNL     1       2.042   0.506   0.207  1.00  0.00           C  
HETATM   25  C   UNL     1       3.409   0.650   0.004  1.00  0.00           C  
HETATM   26  C   UNL     1       3.952   1.906  -0.216  1.00  0.00           C  
HETATM   27  C   UNL     1       3.127   3.020  -0.222  1.00  0.00           C  
HETATM   28  N   UNL     1       4.226  -0.491   0.031  1.00  0.00           N  
HETATM   29  C   UNL     1       3.755  -1.660   0.509  1.00  0.00           C  
HETATM   30  C   UNL     1       4.664  -2.859   0.598  1.00  0.00           C  
HETATM   31  N   UNL     1       3.918  -3.999   1.146  1.00  0.00           N  
HETATM   32  C   UNL     1       4.694  -5.241   1.028  1.00  0.00           C  
HETATM   33  C   UNL     1       3.528  -3.752   2.541  1.00  0.00           C  
HETATM   34  O   UNL     1       2.600  -1.747   0.867  1.00  0.00           O  
HETATM   35  C   UNL     1       5.604  -0.390  -0.470  1.00  0.00           C  
HETATM   36  C   UNL     1       6.213   0.901   0.092  1.00  0.00           C  
HETATM   37  C   UNL     1       5.428   2.095  -0.450  1.00  0.00           C  
HETATM   38  C   UNL     1       5.893   3.368   0.260  1.00  0.00           C  
HETATM   39  C   UNL     1       5.688   2.231  -1.951  1.00  0.00           C  
HETATM   40  H   UNL     1      -9.088  -1.241  -0.299  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.836   0.278   0.373  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.811   3.274   1.613  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.214   1.512   0.766  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.664  -1.645  -0.512  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.451  -3.517  -1.685  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.240  -4.622  -2.515  1.00  0.00           H  
HETATM   47  H   UNL     1       0.669  -3.023  -1.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.654   2.161   0.876  1.00  0.00           H  
HETATM   49  H   UNL     1       2.329   5.425   0.532  1.00  0.00           H  
HETATM   50  H   UNL     1       2.086   5.236  -1.221  1.00  0.00           H  
HETATM   51  H   UNL     1       0.840   6.033  -0.230  1.00  0.00           H  
HETATM   52  H   UNL     1       1.623  -0.475   0.376  1.00  0.00           H  
HETATM   53  H   UNL     1       3.548   4.000  -0.391  1.00  0.00           H  
HETATM   54  H   UNL     1       5.032  -3.110  -0.397  1.00  0.00           H  
HETATM   55  H   UNL     1       5.507  -2.629   1.250  1.00  0.00           H  
HETATM   56  H   UNL     1       5.629  -5.139   1.578  1.00  0.00           H  
HETATM   57  H   UNL     1       4.118  -6.070   1.442  1.00  0.00           H  
HETATM   58  H   UNL     1       4.909  -5.437  -0.022  1.00  0.00           H  
HETATM   59  H   UNL     1       4.423  -3.665   3.158  1.00  0.00           H  
HETATM   60  H   UNL     1       2.955  -2.827   2.599  1.00  0.00           H  
HETATM   61  H   UNL     1       2.918  -4.581   2.900  1.00  0.00           H  
HETATM   62  H   UNL     1       6.183  -1.250  -0.134  1.00  0.00           H  
HETATM   63  H   UNL     1       5.598  -0.352  -1.560  1.00  0.00           H  
HETATM   64  H   UNL     1       6.155   0.888   1.180  1.00  0.00           H  
HETATM   65  H   UNL     1       7.255   0.978  -0.219  1.00  0.00           H  
HETATM   66  H   UNL     1       6.957   3.518   0.078  1.00  0.00           H  
HETATM   67  H   UNL     1       5.335   4.222  -0.124  1.00  0.00           H  
HETATM   68  H   UNL     1       5.718   3.272   1.332  1.00  0.00           H  
HETATM   69  H   UNL     1       5.367   1.322  -2.460  1.00  0.00           H  
HETATM   70  H   UNL     1       5.130   3.082  -2.341  1.00  0.00           H  
HETATM   71  H   UNL     1       6.754   2.386  -2.123  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   40   41                                            
CONECT    4    2    5    8    8                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7   42                                       
CONECT    7    8    6    6   43                                       
CONECT    8    4    4    9    7                                       
CONECT    9    8   10   44                                            
CONECT   10    9   12   12   11                                       
CONECT   11   10   18   18                                            
CONECT   12   10   10   13   16                                       
CONECT   13   12   14   14   45                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   47                                            
CONECT   16   12   15   17   17                                       
CONECT   17   18   16   16                                            
CONECT   18   11   11   17   19                                       
CONECT   19   20   18   48                                            
CONECT   20   24   19   21   21                                       
CONECT   21   20   20   27   22                                       
CONECT   22   21   23                                                 
CONECT   23   22   49   50   51                                       
CONECT   24   25   25   20   52                                       
CONECT   25   28   24   24   26                                       
CONECT   26   25   37   27   27                                       
CONECT   27   26   26   21   53                                       
CONECT   28   29   35   25                                            
CONECT   29   30   34   34   28                                       
CONECT   30   31   29   54   55                                       
CONECT   31   33   32   30                                            
CONECT   32   31   56   57   58                                       
CONECT   33   31   59   60   61                                       
CONECT   34   29   29                                                 
CONECT   35   28   36   62   63                                       
CONECT   36   35   37   64   65                                       
CONECT   37   36   38   26   39                                       
CONECT   38   37   66   67   68                                       
CONECT   39   37   69   70   71                                       
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
