COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.836   3.725  -0.872  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.477  -0.738   0.676  1.00  0.00           C  
HETATM    3  C   UNL     1       2.749   0.965   1.088  1.00  0.00           C  
HETATM    4  C   UNL     1       4.131   0.716   0.480  1.00  0.00           C  
HETATM    5  C   UNL     1       6.538   1.385   0.544  1.00  0.00           C  
HETATM    6  C   UNL     1       9.824   3.360   0.860  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.911   4.629  -0.822  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.690   3.546   1.062  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.761   2.729   0.117  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.065   2.542  -1.280  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.134   0.848   0.589  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.211  -1.245  -0.018  1.00  0.00           C  
HETATM   13  C   UNL     1       1.740   0.062   0.427  1.00  0.00           C  
HETATM   14  C   UNL     1       5.156   1.633   1.151  1.00  0.00           C  
HETATM   15  C   UNL     1       7.562   2.302   1.215  1.00  0.00           C  
HETATM   16  C   UNL     1       8.968   4.628   1.008  1.00  0.00           C  
HETATM   17  C   UNL     1       9.632   3.099  -1.446  1.00  0.00           C  
HETATM   18  C   UNL     1       8.968   2.105   0.603  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.714  -1.516   0.174  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.829  -0.448   0.115  1.00  0.00           C  
HETATM   21  N   UNL     1      -9.038   5.630  -1.769  1.00  0.00           N  
HETATM   22  N   UNL     1      -9.803   4.499   0.155  1.00  0.00           N  
HETATM   23  N   UNL     1      -8.700   2.678   1.055  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.634   1.999  -0.167  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.769   3.558  -1.689  1.00  0.00           N  
HETATM   26  N   UNL     1      10.613   3.488  -0.400  1.00  0.00           N  
HETATM   27  N   UNL     1       8.862   1.977  -0.863  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.732   0.636   0.313  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.068  -0.597   0.542  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.472  -0.675  -1.412  1.00  0.00           O  
HETATM   31  O   UNL     1       0.452   0.106   0.803  1.00  0.00           O  
HETATM   32  O   UNL     1       2.091  -0.703  -0.441  1.00  0.00           O  
HETATM   33  O   UNL     1      10.312   2.670  -2.628  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.174  -2.414   0.392  1.00  0.00           O  
HETATM   35  O   UNL     1       1.250  -3.215  -1.532  1.00  0.00           O  
HETATM   36  O   UNL     1       2.349  -3.067   0.736  1.00  0.00           O  
HETATM   37  O   UNL     1       0.572  -4.928   0.194  1.00  0.00           O  
HETATM   38  O   UNL     1       2.601  -6.371  -0.219  1.00  0.00           O  
HETATM   39  O   UNL     1       0.519  -7.520   0.627  1.00  0.00           O  
HETATM   40  O   UNL     1       0.673  -6.601  -1.831  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.061  -2.552   1.095  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.899  -0.793   0.997  1.00  0.00           O  
HETATM   43  P   UNL     1      -0.563  -0.890   0.049  1.00  0.00           P  
HETATM   44  P   UNL     1       1.005  -3.402  -0.084  1.00  0.00           P  
HETATM   45  P   UNL     1       1.124  -6.355  -0.305  1.00  0.00           P  
HETATM   46  S   UNL     1       7.235   4.066   0.810  1.00  0.00           S  
HETATM   47  H   UNL     1      -4.380  -0.835   1.758  1.00  0.00           H  
HETATM   48  H   UNL     1       2.780   0.755   2.157  1.00  0.00           H  
HETATM   49  H   UNL     1       2.465   2.005   0.930  1.00  0.00           H  
HETATM   50  H   UNL     1       4.416  -0.324   0.639  1.00  0.00           H  
HETATM   51  H   UNL     1       4.101   0.926  -0.589  1.00  0.00           H  
HETATM   52  H   UNL     1       6.823   0.345   0.702  1.00  0.00           H  
HETATM   53  H   UNL     1       6.508   1.595  -0.525  1.00  0.00           H  
HETATM   54  H   UNL     1      10.467   3.221   1.729  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.437   3.477   1.839  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.161   2.185  -1.751  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.295   0.996   1.656  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.125  -2.322   0.126  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.268  -1.025  -1.084  1.00  0.00           H  
HETATM   60  H   UNL     1       4.871   2.674   0.993  1.00  0.00           H  
HETATM   61  H   UNL     1       5.186   1.424   2.221  1.00  0.00           H  
HETATM   62  H   UNL     1       7.578   2.145   2.293  1.00  0.00           H  
HETATM   63  H   UNL     1       9.112   5.069   1.995  1.00  0.00           H  
HETATM   64  H   UNL     1       9.222   5.349   0.231  1.00  0.00           H  
HETATM   65  H   UNL     1       8.970   3.934  -1.672  1.00  0.00           H  
HETATM   66  H   UNL     1       9.452   1.224   1.026  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.528  -1.930  -0.817  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.195  -0.335  -0.905  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.381   5.714  -2.477  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.785   6.248  -1.724  1.00  0.00           H  
HETATM   71  H   UNL     1      10.928   4.437  -0.535  1.00  0.00           H  
HETATM   72  H   UNL     1       7.898   2.008  -1.159  1.00  0.00           H  
HETATM   73  H   UNL     1      10.866   3.352  -3.032  1.00  0.00           H  
HETATM   74  H   UNL     1       2.262  -3.169   1.693  1.00  0.00           H  
HETATM   75  H   UNL     1       0.810  -8.410   0.383  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.285  -6.603  -1.963  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.831  -3.072   0.829  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.371  -1.600   0.747  1.00  0.00           H  
CONECT    1    7    7    9   25                                       
CONECT    2   12   19   28   47                                       
CONECT    3    4   13   48   49                                       
CONECT    4    3   14   50   51                                       
CONECT    5   14   15   52   53                                       
CONECT    6   16   18   26   54                                       
CONECT    7    1    1   21   22                                       
CONECT    8   22   22   23   55                                       
CONECT    9    1   23   23   24                                       
CONECT   10   24   25   25   56                                       
CONECT   11   20   24   28   57                                       
CONECT   12    2   29   58   59                                       
CONECT   13    3   31   32   32                                       
CONECT   14    4    5   60   61                                       
CONECT   15    5   46   62   18                                       
CONECT   16    6   46   63   64                                       
CONECT   17   26   27   33   65                                       
CONECT   18    6   27   66   15                                       
CONECT   19    2   20   41   67                                       
CONECT   20   11   19   42   68                                       
CONECT   21    7   69   70                                            
CONECT   22    7    8    8                                            
CONECT   23    8    9    9                                            
CONECT   24    9   10   11                                            
CONECT   25    1   10   10                                            
CONECT   26    6   17   71                                            
CONECT   27   17   18   72                                            
CONECT   28    2   11                                                 
CONECT   29   12   43                                                 
CONECT   30   43   43                                                 
CONECT   31   13   43                                                 
CONECT   32   13   13                                                 
CONECT   33   17   73                                                 
CONECT   34   43   44                                                 
CONECT   35   44   44                                                 
CONECT   36   44   74                                                 
CONECT   37   44   45                                                 
CONECT   38   45   45                                                 
CONECT   39   45   75                                                 
CONECT   40   45   76                                                 
CONECT   41   19   77                                                 
CONECT   42   20   78                                                 
CONECT   43   29   30   30   31                                       
CONECT   43   34                                                      
CONECT   44   34   35   35   36                                       
CONECT   44   37                                                      
CONECT   45   37   38   38   39                                       
CONECT   45   40                                                      
CONECT   46   15   16                                                 
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   33                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
