COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.579  -1.400  -2.208  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.782  -0.694  -2.821  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.197   0.244  -3.947  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.290  -0.369  -4.656  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.746   0.466  -5.767  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.588   1.609  -3.402  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.418  -0.622  -2.546  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.790  -1.380  -1.498  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.481  -2.794  -1.993  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.290  -3.697  -1.752  1.00  0.00           O  
HETATM   11  C   UNL     1       0.312  -0.598  -0.856  1.00  0.00           C  
HETATM   12  C   UNL     1       1.616  -0.546  -1.164  1.00  0.00           C  
HETATM   13  C   UNL     1       2.341  -1.224  -2.289  1.00  0.00           C  
HETATM   14  C   UNL     1       1.437  -1.894  -3.319  1.00  0.00           C  
HETATM   15  N   UNL     1       0.680  -2.994  -2.739  1.00  0.00           N  
HETATM   16  S   UNL     1       2.394  -2.568  -4.705  1.00  0.00           S  
HETATM   17  C   UNL     1       2.290  -4.294  -4.134  1.00  0.00           C  
HETATM   18  C   UNL     1       2.134  -5.212  -5.352  1.00  0.00           C  
HETATM   19  C   UNL     1       3.602  -4.627  -3.409  1.00  0.00           C  
HETATM   20  C   UNL     1       1.016  -4.328  -3.255  1.00  0.00           C  
HETATM   21  C   UNL     1       1.189  -5.246  -2.077  1.00  0.00           C  
HETATM   22  O   UNL     1       1.671  -4.836  -1.026  1.00  0.00           O  
HETATM   23  N   UNL     1       0.745  -6.529  -2.373  1.00  0.00           N  
HETATM   24  C   UNL     1       0.748  -7.659  -1.522  1.00  0.00           C  
HETATM   25  C   UNL     1       1.595  -7.958  -0.521  1.00  0.00           C  
HETATM   26  C   UNL     1       1.105  -9.190  -0.048  1.00  0.00           C  
HETATM   27  C   UNL     1       1.641 -10.004   1.055  1.00  0.00           C  
HETATM   28  N   UNL     1       0.030  -9.609  -0.720  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.163  -8.635  -1.626  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.222  -8.732  -2.529  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.819  -7.574  -3.010  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.879  -7.671  -3.912  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.332  -8.924  -4.325  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.725 -10.081  -3.835  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.666  -9.984  -2.933  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.373   0.345  -4.662  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.080  -0.523  -4.021  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.585   1.090  -5.448  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.072  -0.161  -6.601  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.936   1.114  -6.111  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.406   1.527  -2.676  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.744   2.090  -2.896  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.924   2.269  -4.208  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.830  -0.035  -3.137  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.564  -1.505  -0.730  1.00  0.00           H  
HETATM   46  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   47  H   UNL     1       2.246   0.079  -0.532  1.00  0.00           H  
HETATM   48  H   UNL     1       2.952  -0.460  -2.787  1.00  0.00           H  
HETATM   49  H   UNL     1       3.034  -1.952  -1.848  1.00  0.00           H  
HETATM   50  H   UNL     1       0.749  -1.163  -3.751  1.00  0.00           H  
HETATM   51  H   UNL     1       1.670  -6.159  -5.063  1.00  0.00           H  
HETATM   52  H   UNL     1       1.506  -4.738  -6.112  1.00  0.00           H  
HETATM   53  H   UNL     1       3.110  -5.429  -5.797  1.00  0.00           H  
HETATM   54  H   UNL     1       3.655  -4.101  -2.450  1.00  0.00           H  
HETATM   55  H   UNL     1       3.675  -5.701  -3.217  1.00  0.00           H  
HETATM   56  H   UNL     1       4.463  -4.326  -4.014  1.00  0.00           H  
HETATM   57  H   UNL     1       0.147  -4.685  -3.821  1.00  0.00           H  
HETATM   58  H   UNL     1       0.374  -6.688  -3.308  1.00  0.00           H  
HETATM   59  H   UNL     1       2.444  -7.391  -0.165  1.00  0.00           H  
HETATM   60  H   UNL     1       2.657 -10.369   0.827  1.00  0.00           H  
HETATM   61  H   UNL     1       1.696  -9.439   2.003  1.00  0.00           H  
HETATM   62  H   UNL     1       1.011 -10.887   1.267  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.476  -6.591  -2.697  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.352  -6.770  -4.293  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.157  -9.000  -5.027  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.078 -11.056  -4.157  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.202 -10.894  -2.559  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    7    3                                       
CONECT    3    2    4    6   36                                       
CONECT    4    3    5   37                                            
CONECT    5    4   38   39   40                                       
CONECT    6    3   41   42   43                                       
CONECT    7    2    8   44                                            
CONECT    8    7   11    9   45                                       
CONECT    9    8   15   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   12   46                                       
CONECT   12   11   11   13   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   16   15   50                                       
CONECT   15    9   14   20                                            
CONECT   16   14   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17   51   52   53                                       
CONECT   19   17   54   55   56                                       
CONECT   20   15   17   21   57                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   58                                            
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   59                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   60   61   62                                       
CONECT   28   26   26   29                                            
CONECT   29   24   28   30                                            
CONECT   30   29   35   35   31                                       
CONECT   31   30   32   32   63                                       
CONECT   32   31   31   33   64                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   30   30   34   67                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
