COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.585   1.305   0.144  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.928   1.849   0.392  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.945   0.771  -0.038  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.131  -0.099  -1.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.720  -0.062  -0.393  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.093   2.157   1.858  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.157   1.969   2.399  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.058   2.641   2.562  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.135   3.119  -0.434  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.093   2.772  -1.923  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.537   3.986  -2.743  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.666   2.386  -2.317  1.00  0.00           C  
HETATM   13  C   UNL     1       0.577   1.950   0.365  1.00  0.00           C  
HETATM   14  O   UNL     1       0.568   3.106   0.742  1.00  0.00           O  
HETATM   15  C   UNL     1       1.863   1.253   0.148  1.00  0.00           C  
HETATM   16  C   UNL     1       1.882  -0.117  -0.115  1.00  0.00           C  
HETATM   17  C   UNL     1       3.085  -0.761  -0.316  1.00  0.00           C  
HETATM   18  C   UNL     1       4.272  -0.052  -0.258  1.00  0.00           C  
HETATM   19  C   UNL     1       4.260   1.307   0.003  1.00  0.00           C  
HETATM   20  C   UNL     1       3.063   1.964   0.200  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.614  -1.075   0.717  1.00  0.00           C  
HETATM   22  S   UNL     1       0.285  -2.527   0.636  1.00  0.00           S  
HETATM   23  C   UNL     1      -0.207  -2.934   2.278  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.992  -1.950   2.728  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.185  -0.969   1.870  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.664  -1.508  -1.080  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.621  -2.193  -2.209  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.088  -3.428  -2.251  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.624  -4.004  -1.112  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.668  -3.319   0.017  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.195  -2.085   0.060  1.00  0.00           C  
HETATM   32  C   UNL     1       5.582  -0.762  -0.478  1.00  0.00           C  
HETATM   33  C   UNL     1       5.752  -1.858   0.576  1.00  0.00           C  
HETATM   34  C   UNL     1       5.593  -1.391  -1.873  1.00  0.00           C  
HETATM   35  C   UNL     1       6.732   0.241  -0.362  1.00  0.00           C  
HETATM   36  H   UNL     1      -3.266   0.179   0.819  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.801   1.226  -0.536  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.122   0.348  -2.026  1.00  0.00           H  
HETATM   39  H   UNL     1       0.041  -0.248  -1.151  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.212   2.824   3.499  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.103   3.557  -0.190  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.345   3.835  -0.205  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.763   1.936  -2.121  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.866   4.822  -2.546  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.506   3.739  -3.804  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.553   4.261  -2.463  1.00  0.00           H  
HETATM   47  H   UNL     1       0.026   3.159  -1.981  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.405   1.436  -1.849  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.601   2.287  -3.400  1.00  0.00           H  
HETATM   50  H   UNL     1       0.957  -0.672  -0.160  1.00  0.00           H  
HETATM   51  H   UNL     1       3.101  -1.822  -0.520  1.00  0.00           H  
HETATM   52  H   UNL     1       5.190   1.855   0.047  1.00  0.00           H  
HETATM   53  H   UNL     1       3.055   3.026   0.399  1.00  0.00           H  
HETATM   54  H   UNL     1       0.076  -3.821   2.825  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.425  -1.955   3.717  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.053  -3.988  -3.174  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.007  -5.013  -1.146  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.227  -1.527   0.984  1.00  0.00           H  
HETATM   59  H   UNL     1       4.933  -2.572   0.493  1.00  0.00           H  
HETATM   60  H   UNL     1       6.700  -2.372   0.416  1.00  0.00           H  
HETATM   61  H   UNL     1       5.744  -1.410   1.570  1.00  0.00           H  
HETATM   62  H   UNL     1       5.472  -0.610  -2.624  1.00  0.00           H  
HETATM   63  H   UNL     1       6.541  -1.904  -2.033  1.00  0.00           H  
HETATM   64  H   UNL     1       4.774  -2.105  -1.957  1.00  0.00           H  
HETATM   65  H   UNL     1       6.724   0.688   0.632  1.00  0.00           H  
HETATM   66  H   UNL     1       7.680  -0.273  -0.521  1.00  0.00           H  
HETATM   67  H   UNL     1       6.611   1.021  -1.113  1.00  0.00           H  
CONECT    1    2    5   13                                            
CONECT    2    6    3    9    1                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3   26    5   38                                       
CONECT    5   21    4    1   39                                       
CONECT    6    7    7    8    2                                       
CONECT    7    6    6                                                 
CONECT    8    6   40                                                 
CONECT    9    2   10   41   42                                       
CONECT   10    9   12   11   43                                       
CONECT   11   10   44   45   46                                       
CONECT   12   10   47   48   49                                       
CONECT   13    1   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   20                                       
CONECT   16   15   15   17   50                                       
CONECT   17   16   18   18   51                                       
CONECT   18   17   17   19   32                                       
CONECT   19   20   20   18   52                                       
CONECT   20   15   19   19   53                                       
CONECT   21   25   25    5   22                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   22   54                                       
CONECT   24   25   23   23   55                                       
CONECT   25   24   21   21                                            
CONECT   26   27    4   31   31                                       
CONECT   27   28   28   26                                            
CONECT   28   27   27   29   56                                       
CONECT   29   28   30   30   57                                       
CONECT   30   29   29   31                                            
CONECT   31   26   26   30   58                                       
CONECT   32   18   33   34   35                                       
CONECT   33   32   59   60   61                                       
CONECT   34   32   62   63   64                                       
CONECT   35   32   65   66   67                                       
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
