COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.260  -1.463  -1.806  1.00  0.00           C  
HETATM    2  C   UNL     1       5.992  -0.622  -1.968  1.00  0.00           C  
HETATM    3  C   UNL     1       5.129  -0.754  -0.712  1.00  0.00           C  
HETATM    4  C   UNL     1       3.861   0.087  -0.875  1.00  0.00           C  
HETATM    5  N   UNL     1       3.034  -0.039   0.328  1.00  0.00           N  
HETATM    6  C   UNL     1       2.496  -1.279   0.679  1.00  0.00           C  
HETATM    7  C   UNL     1       3.247  -2.175   1.432  1.00  0.00           C  
HETATM    8  C   UNL     1       2.718  -3.403   1.781  1.00  0.00           C  
HETATM    9  C   UNL     1       1.441  -3.747   1.384  1.00  0.00           C  
HETATM   10  C   UNL     1       0.680  -2.855   0.630  1.00  0.00           C  
HETATM   11  C   UNL     1       1.211  -1.615   0.282  1.00  0.00           C  
HETATM   12  C   UNL     1       0.394  -0.646  -0.533  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.692  -3.223   0.203  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.924  -4.449  -0.419  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.199  -4.790  -0.814  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.254  -3.912  -0.594  1.00  0.00           C  
HETATM   17  S   UNL     1      -4.884  -4.349  -1.101  1.00  0.00           S  
HETATM   18  C   UNL     1      -5.868  -2.909  -0.601  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.025  -2.688   0.027  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.752  -2.346   0.429  1.00  0.00           C  
HETATM   21  S   UNL     1       2.737   1.290   1.272  1.00  0.00           S  
HETATM   22  O   UNL     1       2.671   0.823   2.612  1.00  0.00           O  
HETATM   23  O   UNL     1       3.644   2.297   0.843  1.00  0.00           O  
HETATM   24  C   UNL     1       1.123   1.867   0.866  1.00  0.00           C  
HETATM   25  C   UNL     1       0.094   1.691   1.740  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.189   2.139   1.439  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.453   2.770   0.257  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.710   3.203  -0.022  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.712   2.964   0.968  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.033   3.508   0.487  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.108   4.045  -0.593  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.126   3.396   1.258  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.411   2.971  -0.672  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.641   3.616  -1.898  1.00  0.00           C  
HETATM   35  C   UNL     1       0.389   3.792  -2.770  1.00  0.00           C  
HETATM   36  C   UNL     1       1.672   3.341  -2.465  1.00  0.00           C  
HETATM   37  C   UNL     1       1.932   2.712  -1.287  1.00  0.00           C  
HETATM   38  C   UNL     1       0.894   2.518  -0.359  1.00  0.00           C  
HETATM   39  H   UNL     1       6.987  -2.508  -1.661  1.00  0.00           H  
HETATM   40  H   UNL     1       7.876  -1.369  -2.701  1.00  0.00           H  
HETATM   41  H   UNL     1       7.822  -1.110  -0.940  1.00  0.00           H  
HETATM   42  H   UNL     1       6.266   0.423  -2.114  1.00  0.00           H  
HETATM   43  H   UNL     1       5.431  -0.975  -2.834  1.00  0.00           H  
HETATM   44  H   UNL     1       4.856  -1.799  -0.567  1.00  0.00           H  
HETATM   45  H   UNL     1       5.690  -0.401   0.153  1.00  0.00           H  
HETATM   46  H   UNL     1       4.134   1.132  -1.020  1.00  0.00           H  
HETATM   47  H   UNL     1       3.300  -0.265  -1.740  1.00  0.00           H  
HETATM   48  H   UNL     1       4.246  -1.911   1.744  1.00  0.00           H  
HETATM   49  H   UNL     1       3.305  -4.095   2.365  1.00  0.00           H  
HETATM   50  H   UNL     1       1.031  -4.708   1.658  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.264  -0.080   0.127  1.00  0.00           H  
HETATM   52  H   UNL     1       1.060   0.040  -1.057  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.205  -1.196  -1.259  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.104  -5.131  -0.591  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.379  -5.740  -1.296  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.495  -2.020  -1.110  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.911  -3.071  -0.870  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.787  -2.771   0.477  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.846  -2.008   0.198  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.574  -1.397   0.911  1.00  0.00           H  
HETATM   61  H   UNL     1       0.276   1.194   2.682  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.987   1.985   2.150  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.803   1.891   1.142  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.431   3.460   1.896  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.950   3.760   0.907  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.630   3.970  -2.148  1.00  0.00           H  
HETATM   67  H   UNL     1       0.209   4.287  -3.713  1.00  0.00           H  
HETATM   68  H   UNL     1       2.472   3.493  -3.175  1.00  0.00           H  
HETATM   69  H   UNL     1       2.931   2.368  -1.064  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    4    6   21                                            
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   10   50                                       
CONECT   10    9    9   13   11                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11   51   52   53                                       
CONECT   13   10   14   14   20                                       
CONECT   14   13   13   15   54                                       
CONECT   15   14   16   16   55                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18                                                 
CONECT   18   17   56   57   58                                       
CONECT   19   16   20   20   59                                       
CONECT   20   13   19   19   60                                       
CONECT   21    5   24   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   38   38   25                                       
CONECT   25   24   26   26   61                                       
CONECT   26   25   25   27   62                                       
CONECT   27   26   33   33   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   63   64                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   65                                                 
CONECT   33   27   27   34   38                                       
CONECT   34   33   35   35   66                                       
CONECT   35   34   34   36   67                                       
CONECT   36   35   37   37   68                                       
CONECT   37   36   36   38   69                                       
CONECT   38   24   24   33   37                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
