COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.221  -0.291  -0.924  1.00  0.00           O  
HETATM    2  C   UNL     1       5.103   1.179   1.286  1.00  0.00           C  
HETATM    3  O   UNL     1       4.232  -0.094  -0.706  1.00  0.00           O  
HETATM    4  C   UNL     1       4.037   0.268   0.667  1.00  0.00           C  
HETATM    5  C   UNL     1       3.182   0.841  -0.457  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.207   0.810  -0.439  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.285   1.717  -0.769  1.00  0.00           O  
HETATM    8  C   UNL     1       0.955   1.391  -1.432  1.00  0.00           C  
HETATM    9  C   UNL     1       1.741   0.357  -0.624  1.00  0.00           C  
HETATM   10  C   UNL     1       0.702   0.871  -2.822  1.00  0.00           C  
HETATM   11  C   UNL     1       1.861   0.493  -3.708  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.540   0.745  -3.267  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.792   0.158  -4.599  1.00  0.00           C  
HETATM   14  N   UNL     1       0.195  -0.352  -5.320  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.020  -0.879  -6.500  1.00  0.00           C  
HETATM   16  C   UNL     1       0.969  -1.503  -7.449  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.055   0.128  -5.133  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.732  -0.670  -6.698  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.242   1.167   0.615  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.368  -0.010   1.578  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.104  -1.061   0.919  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.086   0.333   2.872  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.522   1.796   2.941  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.377  -0.524   2.916  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.283  -0.035   4.087  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.863  -0.681   4.951  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.848   0.317   4.347  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.325   1.397   3.411  1.00  0.00           C  
HETATM   29  C   UNL     1       0.022  -0.939   4.275  1.00  0.00           C  
HETATM   30  O   UNL     1       0.052  -1.440   2.940  1.00  0.00           O  
HETATM   31  C   UNL     1       1.439  -0.645   4.765  1.00  0.00           C  
HETATM   32  C   UNL     1       1.605  -1.230   6.177  1.00  0.00           C  
HETATM   33  C   UNL     1       2.485  -1.277   3.846  1.00  0.00           C  
HETATM   34  C   UNL     1       3.128  -0.204   2.964  1.00  0.00           C  
HETATM   35  C   UNL     1       3.447  -0.796   1.589  1.00  0.00           C  
HETATM   36  H   UNL     1       5.693   0.611   2.005  1.00  0.00           H  
HETATM   37  H   UNL     1       5.756   1.561   0.501  1.00  0.00           H  
HETATM   38  H   UNL     1       4.618   2.013   1.793  1.00  0.00           H  
HETATM   39  H   UNL     1       3.360   1.883  -0.743  1.00  0.00           H  
HETATM   40  H   UNL     1       1.564   2.301  -1.511  1.00  0.00           H  
HETATM   41  H   UNL     1       1.742  -0.594  -1.158  1.00  0.00           H  
HETATM   42  H   UNL     1       1.278   0.229   0.352  1.00  0.00           H  
HETATM   43  H   UNL     1       2.796   0.754  -3.213  1.00  0.00           H  
HETATM   44  H   UNL     1       1.838  -0.579  -3.898  1.00  0.00           H  
HETATM   45  H   UNL     1       1.787   1.032  -4.652  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.369   1.072  -2.656  1.00  0.00           H  
HETATM   47  H   UNL     1       0.450  -1.837  -8.348  1.00  0.00           H  
HETATM   48  H   UNL     1       1.727  -0.768  -7.719  1.00  0.00           H  
HETATM   49  H   UNL     1       1.447  -2.356  -6.967  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.987   0.488  -4.721  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.883   2.062   1.113  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.191   1.354   0.120  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.371  -0.397   1.781  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.599  -1.305   0.131  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.029   1.980   3.888  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.645   2.440   2.867  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.202   2.013   2.117  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.926  -0.308   3.833  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.001  -0.287   2.055  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.112  -1.581   2.892  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.782   0.701   5.380  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.918   2.303   3.534  1.00  0.00           H  
HETATM   63  H   UNL     1       0.716   1.610   3.648  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.400   1.051   2.380  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.418  -1.705   4.925  1.00  0.00           H  
HETATM   66  H   UNL     1       0.500  -0.774   2.402  1.00  0.00           H  
HETATM   67  H   UNL     1       1.613   0.429   4.821  1.00  0.00           H  
HETATM   68  H   UNL     1       2.614  -1.031   6.537  1.00  0.00           H  
HETATM   69  H   UNL     1       0.882  -0.767   6.849  1.00  0.00           H  
HETATM   70  H   UNL     1       1.435  -2.306   6.147  1.00  0.00           H  
HETATM   71  H   UNL     1       3.272  -1.719   4.472  1.00  0.00           H  
HETATM   72  H   UNL     1       2.062  -2.064   3.235  1.00  0.00           H  
HETATM   73  H   UNL     1       2.441   0.631   2.849  1.00  0.00           H  
HETATM   74  H   UNL     1       4.046   0.135   3.445  1.00  0.00           H  
HETATM   75  H   UNL     1       4.169  -1.608   1.710  1.00  0.00           H  
HETATM   76  H   UNL     1       2.536  -1.202   1.150  1.00  0.00           H  
CONECT    1    6    6                                                 
CONECT    2    4   36   37   38                                       
CONECT    3    4    5                                                 
CONECT    4    2    3    5   35                                       
CONECT    5    3    4    9   39                                       
CONECT    6    1    1    7   19                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   10   40                                       
CONECT    9    5    8   41   42                                       
CONECT   10    8   11   12   12                                       
CONECT   11   10   43   44   45                                       
CONECT   12   10   10   13   46                                       
CONECT   13   12   14   17   17                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   18                                       
CONECT   16   15   47   48   49                                       
CONECT   17   13   13   18   50                                       
CONECT   18   15   17                                                 
CONECT   19    6   20   51   52                                       
CONECT   20   19   21   22   53                                       
CONECT   21   20   54                                                 
CONECT   22   20   23   24   25                                       
CONECT   23   22   55   56   57                                       
CONECT   24   22   58   59   60                                       
CONECT   25   22   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   29   61                                       
CONECT   28   27   62   63   64                                       
CONECT   29   27   30   31   65                                       
CONECT   30   29   66                                                 
CONECT   31   29   32   33   67                                       
CONECT   32   31   68   69   70                                       
CONECT   33   31   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35    4   34   75   76                                       
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
