COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.399  -4.501   0.676  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.921  -3.504   0.522  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.578  -2.247   0.328  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.857  -1.060   0.395  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.551   0.145   0.197  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.888   1.383   0.249  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.595   2.535   0.052  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.955   3.733   0.102  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.749   4.902  -0.111  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.970   2.496  -0.201  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.638   1.312  -0.258  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.945   0.106  -0.060  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.586  -1.068  -0.112  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.959  -2.203   0.064  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.375  -1.067   0.671  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.610  -1.151  -0.651  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.166  -1.157  -0.382  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.405  -1.473  -1.598  1.00  0.00           C  
HETATM   19  C   UNL     1       1.079  -1.614  -1.250  1.00  0.00           C  
HETATM   20  C   UNL     1       1.581  -0.304  -0.638  1.00  0.00           C  
HETATM   21  C   UNL     1       0.741   0.027   0.599  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.733   0.121   0.198  1.00  0.00           C  
HETATM   23  N   UNL     1       2.990  -0.453  -0.249  1.00  0.00           N  
HETATM   24  C   UNL     1       3.669   0.849  -0.223  1.00  0.00           C  
HETATM   25  C   UNL     1       5.109   0.657   0.179  1.00  0.00           C  
HETATM   26  C   UNL     1       6.090   0.536  -0.790  1.00  0.00           C  
HETATM   27  C   UNL     1       7.399   0.366  -0.391  1.00  0.00           C  
HETATM   28  S   UNL     1       8.928   0.158  -1.267  1.00  0.00           S  
HETATM   29  C   UNL     1       9.858  -0.398   0.218  1.00  0.00           C  
HETATM   30  O   UNL     1       9.052   0.174   1.266  1.00  0.00           O  
HETATM   31  C   UNL     1       7.737   0.322   0.970  1.00  0.00           C  
HETATM   32  C   UNL     1       6.675   0.445   1.871  1.00  0.00           C  
HETATM   33  N   UNL     1       5.438   0.609   1.456  1.00  0.00           N  
HETATM   34  H   UNL     1      -7.516  -3.126   0.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.099  -0.151   1.193  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.125  -1.928   1.291  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.827   1.423   0.444  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.509   3.419  -0.353  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.205   4.855  -1.100  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.530   4.955   0.647  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.117   5.787  -0.045  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.700   1.300  -0.455  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.886  -2.066  -1.174  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.860  -0.289  -1.271  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.770  -2.409  -2.021  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.533  -0.672  -2.325  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.859   0.915  -0.538  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.336   0.343   1.079  1.00  0.00           H  
HETATM   49  H   UNL     1       1.209  -2.425  -0.534  1.00  0.00           H  
HETATM   50  H   UNL     1       1.645  -1.834  -2.156  1.00  0.00           H  
HETATM   51  H   UNL     1       1.487   0.499  -1.368  1.00  0.00           H  
HETATM   52  H   UNL     1       0.866  -0.758   1.345  1.00  0.00           H  
HETATM   53  H   UNL     1       1.066   0.981   1.015  1.00  0.00           H  
HETATM   54  H   UNL     1       3.072  -0.921   0.641  1.00  0.00           H  
HETATM   55  H   UNL     1       3.626   1.301  -1.214  1.00  0.00           H  
HETATM   56  H   UNL     1       3.175   1.503   0.496  1.00  0.00           H  
HETATM   57  H   UNL     1       5.834   0.574  -1.839  1.00  0.00           H  
HETATM   58  H   UNL     1       9.877  -1.486   0.286  1.00  0.00           H  
HETATM   59  H   UNL     1      10.867   0.013   0.228  1.00  0.00           H  
HETATM   60  H   UNL     1       6.876   0.408   2.931  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4   14   14                                       
CONECT    4    3    5    5   15                                       
CONECT    5    4    4    6   12                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9                                                 
CONECT    9    8   39   40   41                                       
CONECT   10    7   11   11   38                                       
CONECT   11   10   10   12   42                                       
CONECT   12    5   11   13   13                                       
CONECT   13   12   12   14                                            
CONECT   14    3    3   13   34                                       
CONECT   15    4   16   35   36                                       
CONECT   16   15   17   43   44                                       
CONECT   17   16   18   22                                            
CONECT   18   17   19   45   46                                       
CONECT   19   18   20   49   50                                       
CONECT   20   19   21   23   51                                       
CONECT   21   20   22   52   53                                       
CONECT   22   17   21   47   48                                       
CONECT   23   20   24   54                                            
CONECT   24   23   25   55   56                                       
CONECT   25   24   26   33   33                                       
CONECT   26   25   27   27   57                                       
CONECT   27   26   26   28   31                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   58   59                                       
CONECT   30   29   31                                                 
CONECT   31   27   30   32   32                                       
CONECT   32   31   31   33   60                                       
CONECT   33   25   25   32                                            
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
