COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       3.220  -1.781  -1.865  1.00  0.00           N  
HETATM    2  C   UNL     1       3.102  -1.524  -0.423  1.00  0.00           C  
HETATM    3  C   UNL     1       1.646  -1.472  -0.040  1.00  0.00           C  
HETATM    4  O   UNL     1       0.810  -1.975  -0.761  1.00  0.00           O  
HETATM    5  C   UNL     1       3.794  -2.647   0.353  1.00  0.00           C  
HETATM    6  C   UNL     1       5.273  -2.621   0.063  1.00  0.00           C  
HETATM    7  C   UNL     1       5.782  -3.346  -0.998  1.00  0.00           C  
HETATM    8  C   UNL     1       6.119  -1.867   0.854  1.00  0.00           C  
HETATM    9  C   UNL     1       7.138  -3.322  -1.264  1.00  0.00           C  
HETATM   10  C   UNL     1       7.475  -1.842   0.588  1.00  0.00           C  
HETATM   11  C   UNL     1       7.985  -2.572  -0.469  1.00  0.00           C  
HETATM   12  N   UNL     1       1.271  -0.867   1.104  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.108  -0.744   1.597  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.947   0.003   0.592  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.449   0.394  -0.442  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.053   0.044   2.923  1.00  0.00           C  
HETATM   17  C   UNL     1       1.291   0.811   2.816  1.00  0.00           C  
HETATM   18  C   UNL     1       2.178  -0.223   2.072  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.912   2.462   0.087  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.252   0.231   0.840  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.708   3.170  -0.866  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.068   0.957  -0.137  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.536   0.565   0.033  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.182  -1.308  -0.143  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.350  -2.725  -0.474  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.713  -0.915  -0.313  1.00  0.00           C  
HETATM   27  N   UNL     1      -8.622  -2.597  -0.024  1.00  0.00           N  
HETATM   28  N   UNL     1      -7.752  -4.636  -0.705  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.593  -3.306  -0.394  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.416   3.223   1.213  1.00  0.00           S  
HETATM   31  N   UNL     1      -0.870   2.937  -1.209  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.465   2.849  -0.080  1.00  0.00           C  
HETATM   33  C   UNL     1       0.429   3.293  -1.209  1.00  0.00           C  
HETATM   34  C   UNL     1       1.316   3.464  -2.291  1.00  0.00           C  
HETATM   35  C   UNL     1       2.608   3.834  -2.072  1.00  0.00           C  
HETATM   36  C   UNL     1       3.077   4.048  -0.783  1.00  0.00           C  
HETATM   37  C   UNL     1       2.234   3.888   0.293  1.00  0.00           C  
HETATM   38  C   UNL     1       0.908   3.511   0.088  1.00  0.00           C  
HETATM   39  H   UNL     1       4.185  -1.756  -2.159  1.00  0.00           H  
HETATM   40  H   UNL     1       2.789  -2.658  -2.113  1.00  0.00           H  
HETATM   41  H   UNL     1       3.575  -0.572  -0.183  1.00  0.00           H  
HETATM   42  H   UNL     1       3.631  -2.505   1.421  1.00  0.00           H  
HETATM   43  H   UNL     1       3.381  -3.608   0.047  1.00  0.00           H  
HETATM   44  H   UNL     1       5.120  -3.932  -1.618  1.00  0.00           H  
HETATM   45  H   UNL     1       5.720  -1.296   1.680  1.00  0.00           H  
HETATM   46  H   UNL     1       7.536  -3.889  -2.092  1.00  0.00           H  
HETATM   47  H   UNL     1       8.137  -1.257   1.209  1.00  0.00           H  
HETATM   48  H   UNL     1       9.045  -2.553  -0.677  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.530  -1.734   1.769  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.889   0.740   2.993  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.043  -0.636   3.775  1.00  0.00           H  
HETATM   52  H   UNL     1       1.175   1.723   2.231  1.00  0.00           H  
HETATM   53  H   UNL     1       1.696   1.030   3.804  1.00  0.00           H  
HETATM   54  H   UNL     1       2.572  -0.961   2.771  1.00  0.00           H  
HETATM   55  H   UNL     1       2.993   0.280   1.552  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.499  -3.007   0.033  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.242   2.716   1.095  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.651  -0.085   1.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.470   2.993  -1.786  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.738   0.704  -1.145  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.841   0.735   1.066  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.153   1.169  -0.632  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.798  -0.703  -0.808  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.486  -1.137   0.890  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.585  -3.253  -0.749  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.408  -1.086  -1.345  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.096  -1.520   0.353  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.986  -5.164  -0.980  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.629  -5.046  -0.648  1.00  0.00           H  
HETATM   70  H   UNL     1       0.968   3.301  -3.300  1.00  0.00           H  
HETATM   71  H   UNL     1       3.276   3.961  -2.911  1.00  0.00           H  
HETATM   72  H   UNL     1       4.104   4.341  -0.625  1.00  0.00           H  
HETATM   73  H   UNL     1       2.599   4.054   1.295  1.00  0.00           H  
CONECT    1    2   39   40                                            
CONECT    2    3    1    5   41                                       
CONECT    3   12    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   42   43                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6    9   44                                       
CONECT    8    6   10   10   45                                       
CONECT    9    7   11   11   46                                       
CONECT   10   11    8    8   47                                       
CONECT   11   10    9    9   48                                       
CONECT   12    3   13   18                                            
CONECT   13   14   12   16   49                                       
CONECT   14   20   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   50   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   12   17   54   55                                       
CONECT   19   22   21   32   57                                       
CONECT   20   14   22   58                                            
CONECT   21   19   59                                                 
CONECT   22   19   20   23   60                                       
CONECT   23   22   26   61   62                                       
CONECT   24   25   26   63   64                                       
CONECT   25   24   29   65                                            
CONECT   26   23   24   66   67                                       
CONECT   27   56   29   29                                            
CONECT   28   29   68   69                                            
CONECT   29   25   27   27   28                                       
CONECT   30   32   38                                                 
CONECT   31   32   32   33                                            
CONECT   32   30   31   31   19                                       
CONECT   33   31   34   38   38                                       
CONECT   34   33   35   35   70                                       
CONECT   35   34   34   36   71                                       
CONECT   36   35   37   37   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   30   33   33                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   27                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
