COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.874   0.803  -0.783  1.00  0.00           C  
HETATM    2  C   UNL     1       4.551   0.892  -1.171  1.00  0.00           C  
HETATM    3  C   UNL     1       3.655  -0.096  -0.805  1.00  0.00           C  
HETATM    4  C   UNL     1       4.084  -1.171  -0.050  1.00  0.00           C  
HETATM    5  C   UNL     1       5.407  -1.260   0.338  1.00  0.00           C  
HETATM    6  C   UNL     1       6.303  -0.272  -0.028  1.00  0.00           C  
HETATM    7  C   UNL     1       2.212   0.001  -1.228  1.00  0.00           C  
HETATM    8  C   UNL     1       1.418   0.760  -0.163  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.858  -0.108  -0.216  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.439   1.995  -1.374  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.301  -0.012  -0.639  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.895   3.101  -0.458  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.487  -1.000  -0.313  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.573  -2.414  -0.760  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.002   0.063   0.659  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.496   0.197   0.512  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.339  -0.583   1.281  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.709  -0.461   1.147  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.236   0.442   0.242  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.394   1.222  -0.527  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.024   1.103  -0.389  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.979  -3.611   0.103  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.512  -4.905  -0.567  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.123   4.090   0.026  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.953   4.898   0.836  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.183   4.354   0.799  1.00  0.00           C  
HETATM   27  N   UNL     1       0.015   0.854  -0.574  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.040  -1.173  -0.128  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.902  -6.053   0.262  1.00  0.00           N  
HETATM   30  N   UNL     1       8.132   0.377   1.923  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.482  -1.052   0.446  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.143   3.269   0.010  1.00  0.00           O  
HETATM   33  O   UNL     1       8.245  -1.766   0.704  1.00  0.00           O  
HETATM   34  O   UNL     1       8.733   0.385  -0.471  1.00  0.00           O  
HETATM   35  S   UNL     1       7.991  -0.389   0.461  1.00  0.00           S  
HETATM   36  H   UNL     1       6.575   1.573  -1.073  1.00  0.00           H  
HETATM   37  H   UNL     1       4.216   1.732  -1.761  1.00  0.00           H  
HETATM   38  H   UNL     1       3.384  -1.943   0.237  1.00  0.00           H  
HETATM   39  H   UNL     1       5.742  -2.101   0.927  1.00  0.00           H  
HETATM   40  H   UNL     1       2.147   0.533  -2.177  1.00  0.00           H  
HETATM   41  H   UNL     1       1.799  -1.001  -1.344  1.00  0.00           H  
HETATM   42  H   UNL     1       1.484   0.228   0.787  1.00  0.00           H  
HETATM   43  H   UNL     1       1.831   1.762  -0.047  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.267   1.685  -2.010  1.00  0.00           H  
HETATM   45  H   UNL     1       0.382   2.353  -1.995  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.737   0.903  -0.236  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.360   0.007  -1.727  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.994  -1.946  -0.119  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.687  -0.684  -1.337  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.488  -2.387  -0.856  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.023  -2.510  -1.748  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.762  -0.231   1.680  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.528   1.019   0.435  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.926  -1.288   1.988  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.367  -1.071   1.747  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.307   0.537   0.137  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.806   1.927  -1.234  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.365   1.716  -0.987  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.517  -3.523   1.086  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.063  -3.629   0.212  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.975  -4.992  -1.550  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.428  -4.887  -0.676  1.00  0.00           H  
HETATM   63  H   UNL     1       0.929   4.239  -0.168  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.657   5.783   1.381  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.055   4.729   1.315  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.897  -6.056   0.431  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.605  -6.921  -0.160  1.00  0.00           H  
HETATM   68  H   UNL     1       8.802   0.086   2.560  1.00  0.00           H  
HETATM   69  H   UNL     1       7.545   1.118   2.141  1.00  0.00           H  
CONECT    1    2    2    6   36                                       
CONECT    2    3    1    1   37                                       
CONECT    3    7    4    4    2                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   39                                       
CONECT    6    5    5    1   35                                       
CONECT    7    8    3   40   41                                       
CONECT    8   27    7   42   43                                       
CONECT    9   11   31   31   27                                       
CONECT   10   27   12   44   45                                       
CONECT   11   28    9   46   47                                       
CONECT   12   10   24   24   32                                       
CONECT   13   28   15   48   49                                       
CONECT   14   22   28   50   51                                       
CONECT   15   13   16   52   53                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   54                                       
CONECT   18   17   19   19   55                                       
CONECT   19   18   18   20   56                                       
CONECT   20   21   21   19   57                                       
CONECT   21   16   20   20   58                                       
CONECT   22   23   14   59   60                                       
CONECT   23   29   22   61   62                                       
CONECT   24   12   12   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   25   25   32   65                                       
CONECT   27    9    8   10                                            
CONECT   28   14   13   11                                            
CONECT   29   23   66   67                                            
CONECT   30   35   68   69                                            
CONECT   31    9    9                                                 
CONECT   32   12   26                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35    6   30   33   33                                       
CONECT   35   34   34                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
