COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.408   3.175  -1.548  1.00  0.00           C  
HETATM    2  C   UNL     1       3.665   3.369  -0.286  1.00  0.00           C  
HETATM    3  C   UNL     1       2.827   2.354   0.224  1.00  0.00           C  
HETATM    4  C   UNL     1       2.139   2.572   1.423  1.00  0.00           C  
HETATM    5  C   UNL     1       1.329   1.423   1.793  1.00  0.00           C  
HETATM    6  C   UNL     1       1.388   0.408   0.953  1.00  0.00           C  
HETATM    7  C   UNL     1       0.634  -0.885   1.130  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.598  -0.872   0.263  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.516  -1.262  -1.061  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.644  -1.250  -1.860  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858  -0.850  -1.337  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.945  -0.458  -0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.317  -0.609   0.080  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.613  -0.104   0.557  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.743  -0.653   0.118  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.071  -0.136   0.606  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.284   0.520  -0.126  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.327   1.381  -1.263  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.810  -0.475   0.793  1.00  0.00           C  
HETATM   20  C   UNL     1       2.251  -2.513   1.823  1.00  0.00           C  
HETATM   21  C   UNL     1       3.103  -3.674   1.306  1.00  0.00           C  
HETATM   22  C   UNL     1       4.588  -4.250  -0.517  1.00  0.00           C  
HETATM   23  C   UNL     1       5.491  -3.666  -1.606  1.00  0.00           C  
HETATM   24  C   UNL     1       6.658  -2.922  -0.949  1.00  0.00           C  
HETATM   25  C   UNL     1       6.103  -1.830  -0.029  1.00  0.00           C  
HETATM   26  C   UNL     1       5.182  -2.468   1.013  1.00  0.00           C  
HETATM   27  C   UNL     1       3.064   4.699   1.614  1.00  0.00           C  
HETATM   28  C   UNL     1       3.777   4.558   0.436  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.173  -0.052   0.524  1.00  0.00           N  
HETATM   30  N   UNL     1      -9.905   0.237  -0.545  1.00  0.00           N  
HETATM   31  N   UNL     1       4.083  -3.167   0.335  1.00  0.00           N  
HETATM   32  N   UNL     1       2.289   3.743   2.064  1.00  0.00           N  
HETATM   33  O   UNL     1       4.302   2.132  -2.161  1.00  0.00           O  
HETATM   34  O   UNL     1       5.198   4.158  -2.022  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.277  -1.528  -0.715  1.00  0.00           O  
HETATM   36  O   UNL     1       1.471  -1.980   0.751  1.00  0.00           O  
HETATM   37  S   UNL     1       2.453   0.753  -0.396  1.00  0.00           S  
HETATM   38  H   UNL     1       0.725   1.402   2.688  1.00  0.00           H  
HETATM   39  H   UNL     1       0.342  -0.996   2.175  1.00  0.00           H  
HETATM   40  H   UNL     1       0.433  -1.575  -1.472  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.576  -1.555  -2.894  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.739  -0.841  -1.962  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.649   0.712   1.263  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.707  -1.470  -0.588  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.574  -0.913   1.182  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.911   0.738   1.238  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.879   0.794  -0.997  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.711  -0.367   0.342  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.285   1.344   0.588  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.323   2.254  -0.612  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.306   1.144  -1.562  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.925   1.592  -2.150  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.875  -0.175   1.829  1.00  0.00           H  
HETATM   54  H   UNL     1       1.589  -2.872   2.611  1.00  0.00           H  
HETATM   55  H   UNL     1       2.901  -1.735   2.222  1.00  0.00           H  
HETATM   56  H   UNL     1       3.627  -4.141   2.140  1.00  0.00           H  
HETATM   57  H   UNL     1       2.460  -4.409   0.822  1.00  0.00           H  
HETATM   58  H   UNL     1       3.749  -4.769  -0.981  1.00  0.00           H  
HETATM   59  H   UNL     1       5.159  -4.954   0.089  1.00  0.00           H  
HETATM   60  H   UNL     1       5.879  -4.472  -2.229  1.00  0.00           H  
HETATM   61  H   UNL     1       4.918  -2.973  -2.222  1.00  0.00           H  
HETATM   62  H   UNL     1       7.254  -3.622  -0.365  1.00  0.00           H  
HETATM   63  H   UNL     1       7.280  -2.467  -1.720  1.00  0.00           H  
HETATM   64  H   UNL     1       6.927  -1.325   0.474  1.00  0.00           H  
HETATM   65  H   UNL     1       5.540  -1.108  -0.620  1.00  0.00           H  
HETATM   66  H   UNL     1       5.750  -3.180   1.613  1.00  0.00           H  
HETATM   67  H   UNL     1       4.774  -1.692   1.661  1.00  0.00           H  
HETATM   68  H   UNL     1       3.149   5.617   2.175  1.00  0.00           H  
HETATM   69  H   UNL     1       4.411   5.357   0.080  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.201   0.630   1.214  1.00  0.00           H  
HETATM   71  H   UNL     1       5.661   3.987  -2.853  1.00  0.00           H  
CONECT    1    2   33   33   34                                       
CONECT    2    3    3   28    1                                       
CONECT    3    4   37    2    2                                       
CONECT    4    5   32   32    3                                       
CONECT    5    6    6    4   38                                       
CONECT    6    5    5    7   37                                       
CONECT    7   36    6    8   39                                       
CONECT    8    7   19   19    9                                       
CONECT    9    8   10   10   40                                       
CONECT   10    9    9   11   41                                       
CONECT   11   12   12   10   42                                       
CONECT   12   19   29   11   11                                       
CONECT   13   14   35   35   29                                       
CONECT   14   15   15   13   43                                       
CONECT   15   16   14   14   44                                       
CONECT   16   30   15   45   46                                       
CONECT   17   30   47   48   49                                       
CONECT   18   30   50   51   52                                       
CONECT   19    8    8   12   53                                       
CONECT   20   21   36   54   55                                       
CONECT   21   31   20   56   57                                       
CONECT   22   31   23   58   59                                       
CONECT   23   24   22   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24   64   65                                       
CONECT   26   25   31   66   67                                       
CONECT   27   32   28   28   68                                       
CONECT   28   27   27    2   69                                       
CONECT   29   13   12   70                                            
CONECT   30   17   18   16                                            
CONECT   31   26   22   21                                            
CONECT   32    4    4   27                                            
CONECT   33    1    1                                                 
CONECT   34    1   71                                                 
CONECT   35   13   13                                                 
CONECT   36   20    7                                                 
CONECT   37    6    3                                                 
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
