COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.288  -1.956  -0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.166  -2.460   0.936  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.645  -3.609   0.466  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.532  -4.222  -0.783  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.182   0.439   1.458  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.923   1.308   1.158  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.653   1.496  -0.460  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.382   2.424   0.519  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.560   3.721   0.773  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.231   3.342   1.399  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.298   2.697  -0.144  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.395   3.348  -1.525  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.228   1.146  -0.178  1.00  0.00           C  
HETATM   14  C   UNL     1       1.167   0.581  -0.093  1.00  0.00           C  
HETATM   15  C   UNL     1       1.510  -0.524  -0.850  1.00  0.00           C  
HETATM   16  C   UNL     1       2.786  -1.046  -0.776  1.00  0.00           C  
HETATM   17  C   UNL     1       3.729  -0.456   0.064  1.00  0.00           C  
HETATM   18  C   UNL     1       5.102  -1.012   0.147  1.00  0.00           C  
HETATM   19  C   UNL     1       6.206  -0.172   0.012  1.00  0.00           C  
HETATM   20  C   UNL     1       6.007   1.304  -0.219  1.00  0.00           C  
HETATM   21  C   UNL     1       7.481  -0.694   0.091  1.00  0.00           C  
HETATM   22  C   UNL     1       8.676   0.213  -0.055  1.00  0.00           C  
HETATM   23  C   UNL     1       7.665  -2.048   0.303  1.00  0.00           C  
HETATM   24  C   UNL     1       6.573  -2.887   0.438  1.00  0.00           C  
HETATM   25  C   UNL     1       5.293  -2.375   0.366  1.00  0.00           C  
HETATM   26  C   UNL     1       3.378   0.658   0.824  1.00  0.00           C  
HETATM   27  C   UNL     1       2.101   1.174   0.738  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.317  -1.466   0.635  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.455  -3.290  -0.130  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.915   0.421   0.201  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.566   2.478   0.491  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.748  -1.722  -0.170  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.407   4.770  -1.381  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.188  -0.738  -1.961  1.00  0.00           O  
HETATM   35  S   UNL     1      -2.913  -1.030  -0.598  1.00  0.00           S  
HETATM   36  H   UNL     1      -7.105  -2.356   1.460  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.082  -4.594   0.545  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.790  -4.308  -1.839  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.512  -3.850  -0.688  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.608  -5.200  -0.309  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.889  -0.571   1.743  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.782   0.896   2.245  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.285   1.508   2.018  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.386   1.053  -1.134  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.953   2.090  -1.047  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.353   2.692   0.102  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.530   1.903   1.464  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.385   4.234  -0.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.110   4.375   1.450  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.632   4.237   1.566  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.400   2.826   2.345  1.00  0.00           H  
HETATM   52  H   UNL     1       0.450   3.162   0.499  1.00  0.00           H  
HETATM   53  H   UNL     1       0.463   3.051  -2.127  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.313   3.025  -2.015  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.838   0.682  -0.952  1.00  0.00           H  
HETATM   56  H   UNL     1       0.778  -0.981  -1.500  1.00  0.00           H  
HETATM   57  H   UNL     1       3.053  -1.909  -1.367  1.00  0.00           H  
HETATM   58  H   UNL     1       5.962   1.819   0.740  1.00  0.00           H  
HETATM   59  H   UNL     1       6.840   1.696  -0.803  1.00  0.00           H  
HETATM   60  H   UNL     1       5.076   1.465  -0.762  1.00  0.00           H  
HETATM   61  H   UNL     1       8.966   0.591   0.925  1.00  0.00           H  
HETATM   62  H   UNL     1       9.505  -0.345  -0.489  1.00  0.00           H  
HETATM   63  H   UNL     1       8.420   1.050  -0.705  1.00  0.00           H  
HETATM   64  H   UNL     1       8.664  -2.452   0.364  1.00  0.00           H  
HETATM   65  H   UNL     1       6.722  -3.943   0.604  1.00  0.00           H  
HETATM   66  H   UNL     1       4.442  -3.030   0.472  1.00  0.00           H  
HETATM   67  H   UNL     1       4.105   1.118   1.476  1.00  0.00           H  
HETATM   68  H   UNL     1       1.827   2.037   1.327  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.467   5.249  -2.219  1.00  0.00           H  
CONECT    1   29   28   28   35                                       
CONECT    2    3    3   28   36                                       
CONECT    3    2    2   29   37                                       
CONECT    4   29   38   39   40                                       
CONECT    5   30    6   41   42                                       
CONECT    6    5   31   13   43                                       
CONECT    7    8   30   44   45                                       
CONECT    8    7    9   46   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10    9   31   50   51                                       
CONECT   11   31   13   12   52                                       
CONECT   12   11   33   53   54                                       
CONECT   13    6   14   11   55                                       
CONECT   14   27   13   15   15                                       
CONECT   15   14   14   16   56                                       
CONECT   16   17   17   15   57                                       
CONECT   17   26   18   16   16                                       
CONECT   18   25   17   19   19                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   58   59   60                                       
CONECT   21   23   23   19   22                                       
CONECT   22   21   61   62   63                                       
CONECT   23   24   21   21   64                                       
CONECT   24   25   25   23   65                                       
CONECT   25   24   24   18   66                                       
CONECT   26   27   27   17   67                                       
CONECT   27   26   26   14   68                                       
CONECT   28    2    1    1                                            
CONECT   29    3    4    1                                            
CONECT   30   35    7    5                                            
CONECT   31   10    6   11                                            
CONECT   32   35   35                                                 
CONECT   33   12   69                                                 
CONECT   34   35   35                                                 
CONECT   35   34   34    1   32                                       
CONECT   35   32   30                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   33                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
