COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.794   1.677  -0.866  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.022   0.853  -0.005  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.294   0.542   0.310  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.403   1.198  -0.387  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.711   2.512   0.283  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.273   2.745   1.384  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.566   3.534  -0.420  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.640   0.298  -0.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.373  -0.966  -1.115  1.00  0.00           C  
HETATM   10  O   UNL     1     -10.323  -1.909  -1.210  1.00  0.00           O  
HETATM   11  O   UNL     1      -8.303  -1.130  -1.652  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.881   0.179   0.712  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.957  -1.310   0.489  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.900  -2.221  -1.045  1.00  0.00           S  
HETATM   15  C   UNL     1      -5.082  -2.305   1.401  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.136  -3.614   0.962  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.053  -3.866  -0.367  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.552   0.708   0.169  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.398   0.117   0.980  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.069   0.647   0.437  1.00  0.00           C  
HETATM   21  C   UNL     1       0.086   0.056   1.249  1.00  0.00           C  
HETATM   22  N   UNL     1       1.358   0.563   0.729  1.00  0.00           N  
HETATM   23  C   UNL     1       2.519   0.175   1.293  1.00  0.00           C  
HETATM   24  O   UNL     1       2.510  -0.595   2.233  1.00  0.00           O  
HETATM   25  C   UNL     1       3.800   0.686   0.769  1.00  0.00           C  
HETATM   26  C   UNL     1       5.005   0.285   1.353  1.00  0.00           C  
HETATM   27  C   UNL     1       6.199   0.763   0.861  1.00  0.00           C  
HETATM   28  C   UNL     1       3.812   1.568  -0.316  1.00  0.00           C  
HETATM   29  C   UNL     1       5.008   2.046  -0.799  1.00  0.00           C  
HETATM   30  C   UNL     1       6.207   1.645  -0.216  1.00  0.00           C  
HETATM   31  N   UNL     1       7.415   2.126  -0.710  1.00  0.00           N  
HETATM   32  C   UNL     1       8.546   1.321  -0.685  1.00  0.00           C  
HETATM   33  N   UNL     1       8.446   0.065  -0.292  1.00  0.00           N  
HETATM   34  C   UNL     1       9.789   1.851  -1.073  1.00  0.00           C  
HETATM   35  N   UNL     1      10.867   1.105  -1.056  1.00  0.00           N  
HETATM   36  C   UNL     1      10.787  -0.173  -0.666  1.00  0.00           C  
HETATM   37  C   UNL     1       9.537  -0.711  -0.274  1.00  0.00           C  
HETATM   38  C   UNL     1      11.928  -0.993  -0.638  1.00  0.00           C  
HETATM   39  C   UNL     1      11.818  -2.290  -0.237  1.00  0.00           C  
HETATM   40  C   UNL     1      10.588  -2.819   0.148  1.00  0.00           C  
HETATM   41  C   UNL     1       9.462  -2.054   0.134  1.00  0.00           C  
HETATM   42  H   UNL     1      -7.476  -0.117   0.998  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.125   1.376  -1.426  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.931   4.194  -1.012  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.274   3.027  -1.075  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.111   4.122   0.318  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.866   0.047   0.698  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.488   0.822  -0.779  1.00  0.00           H  
HETATM   49  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.947   0.390   1.779  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.146  -2.077   2.455  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.240  -4.425   1.668  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.074  -4.814  -0.883  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.446   0.419  -0.877  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.534   1.795   0.249  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.504   0.406   2.026  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.416  -0.970   0.900  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.963   0.358  -0.609  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.051   1.734   0.518  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.020   0.345   2.294  1.00  0.00           H  
HETATM   61  H   UNL     1       0.067  -1.031   1.168  1.00  0.00           H  
HETATM   62  H   UNL     1       1.365   1.178  -0.022  1.00  0.00           H  
HETATM   63  H   UNL     1       5.000  -0.399   2.188  1.00  0.00           H  
HETATM   64  H   UNL     1       7.130   0.453   1.312  1.00  0.00           H  
HETATM   65  H   UNL     1       2.882   1.879  -0.769  1.00  0.00           H  
HETATM   66  H   UNL     1       5.018   2.731  -1.634  1.00  0.00           H  
HETATM   67  H   UNL     1       7.468   3.024  -1.072  1.00  0.00           H  
HETATM   68  H   UNL     1       9.856   2.882  -1.388  1.00  0.00           H  
HETATM   69  H   UNL     1      12.888  -0.597  -0.934  1.00  0.00           H  
HETATM   70  H   UNL     1      12.697  -2.917  -0.217  1.00  0.00           H  
HETATM   71  H   UNL     1      10.527  -3.850   0.462  1.00  0.00           H  
HETATM   72  H   UNL     1       8.515  -2.477   0.435  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   42                                            
CONECT    4    3    5    8   43                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   44   45   46                                       
CONECT    8    4    9   47   48                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   49                                                 
CONECT   12    2   13   18   50                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   17                                                 
CONECT   15   13   13   16   51                                       
CONECT   16   15   17   17   52                                       
CONECT   17   14   16   16   53                                       
CONECT   18   12   19   54   55                                       
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   23   62                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   28                                       
CONECT   26   25   25   27   63                                       
CONECT   27   26   30   30   64                                       
CONECT   28   25   29   29   65                                       
CONECT   29   28   28   30   66                                       
CONECT   30   27   27   29   31                                       
CONECT   31   30   32   67                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   37                                            
CONECT   34   32   35   35   68                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   37   38                                       
CONECT   37   33   36   36   41                                       
CONECT   38   36   39   39   69                                       
CONECT   39   38   38   40   70                                       
CONECT   40   39   41   41   71                                       
CONECT   41   37   40   40   72                                       
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
