COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.361  -0.670  -0.678  1.00  0.00           C  
HETATM    2  C   UNL     1       0.488  -0.827   0.941  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.701  -0.761   0.300  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.580  -0.636  -1.220  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.172  -0.931   0.683  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.955   0.268   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.032   2.232   0.722  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.344   2.397  -0.618  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.126   3.596  -1.087  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.913   1.434  -1.518  1.00  0.00           C  
HETATM   11  C   UNL     1       1.952   0.748   1.330  1.00  0.00           C  
HETATM   12  C   UNL     1       3.116   1.653   1.238  1.00  0.00           C  
HETATM   13  C   UNL     1       3.296   2.649   2.201  1.00  0.00           C  
HETATM   14  C   UNL     1       4.689  -3.167   0.664  1.00  0.00           C  
HETATM   15  C   UNL     1       3.363  -1.630  -0.575  1.00  0.00           C  
HETATM   16  C   UNL     1       4.070  -2.015  -1.703  1.00  0.00           C  
HETATM   17  C   UNL     1       3.781  -1.448  -2.930  1.00  0.00           C  
HETATM   18  C   UNL     1       2.787  -0.494  -3.038  1.00  0.00           C  
HETATM   19  C   UNL     1       2.070  -0.106  -1.917  1.00  0.00           C  
HETATM   20  C   UNL     1       0.856   1.377  -3.325  1.00  0.00           C  
HETATM   21  C   UNL     1       4.390   3.489   2.101  1.00  0.00           C  
HETATM   22  C   UNL     1       5.271   3.308   1.044  1.00  0.00           C  
HETATM   23  C   UNL     1       5.033   2.302   0.126  1.00  0.00           C  
HETATM   24  C   UNL     1       5.988   2.102  -1.023  1.00  0.00           C  
HETATM   25  N   UNL     1       1.641  -0.276   0.462  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.202  -1.893   0.391  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.344   1.166   1.097  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.229   0.394  -1.069  1.00  0.00           N  
HETATM   29  N   UNL     1       0.159  -0.162   2.026  1.00  0.00           N  
HETATM   30  N   UNL     1       1.019   0.766   2.254  1.00  0.00           N  
HETATM   31  N   UNL     1       3.986   1.511   0.245  1.00  0.00           N  
HETATM   32  O   UNL     1       3.648  -2.188   0.632  1.00  0.00           O  
HETATM   33  O   UNL     1       1.092   0.832  -2.024  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.693  -2.234   2.284  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.125  -3.360   0.124  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.692  -2.110   0.065  1.00  0.00           O  
HETATM   37  S   UNL     1      -1.758  -2.204   0.864  1.00  0.00           S  
HETATM   38  H   UNL     1      -2.304   0.139   0.771  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.977  -1.535  -1.691  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.147   0.232  -1.559  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.532  -0.515  -1.493  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.258  -1.020   1.766  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.347   2.964   1.451  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.438   4.402  -1.341  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.710   3.327  -1.967  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.796   3.926  -0.293  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.135   1.531  -2.571  1.00  0.00           H  
HETATM   48  H   UNL     1       2.590   2.762   3.010  1.00  0.00           H  
HETATM   49  H   UNL     1       5.621  -2.717   0.321  1.00  0.00           H  
HETATM   50  H   UNL     1       4.814  -3.531   1.683  1.00  0.00           H  
HETATM   51  H   UNL     1       4.426  -3.999   0.010  1.00  0.00           H  
HETATM   52  H   UNL     1       4.848  -2.760  -1.623  1.00  0.00           H  
HETATM   53  H   UNL     1       4.335  -1.750  -3.807  1.00  0.00           H  
HETATM   54  H   UNL     1       2.565  -0.053  -3.999  1.00  0.00           H  
HETATM   55  H   UNL     1       0.052   2.112  -3.270  1.00  0.00           H  
HETATM   56  H   UNL     1       1.764   1.858  -3.688  1.00  0.00           H  
HETATM   57  H   UNL     1       0.570   0.577  -4.007  1.00  0.00           H  
HETATM   58  H   UNL     1       4.556   4.268   2.830  1.00  0.00           H  
HETATM   59  H   UNL     1       6.133   3.950   0.937  1.00  0.00           H  
HETATM   60  H   UNL     1       6.770   1.403  -0.729  1.00  0.00           H  
HETATM   61  H   UNL     1       5.446   1.703  -1.880  1.00  0.00           H  
HETATM   62  H   UNL     1       6.438   3.058  -1.291  1.00  0.00           H  
HETATM   63  H   UNL     1       0.225  -2.457  -0.272  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.648  -2.101  -0.901  1.00  0.00           H  
CONECT    1   15   15   19   25                                       
CONECT    2   25   29   29   26                                       
CONECT    3   37    4    5   38                                       
CONECT    4    3   39   40   41                                       
CONECT    5    3    6   36   42                                       
CONECT    6   28    5   27   27                                       
CONECT    7    8    8   27   43                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8   44   45   46                                       
CONECT   10   28   28    8   47                                       
CONECT   11   12   30   30   25                                       
CONECT   12   31   31   13   11                                       
CONECT   13   21   21   12   48                                       
CONECT   14   32   49   50   51                                       
CONECT   15   16   32    1    1                                       
CONECT   16   17   17   15   52                                       
CONECT   17   16   16   18   53                                       
CONECT   18   17   19   19   54                                       
CONECT   19   18   18    1   33                                       
CONECT   20   33   55   56   57                                       
CONECT   21   22   13   13   58                                       
CONECT   22   23   23   21   59                                       
CONECT   23   24   22   22   31                                       
CONECT   24   23   60   61   62                                       
CONECT   25   11    1    2                                            
CONECT   26    2   37   63                                            
CONECT   27    6    6    7                                            
CONECT   28   10   10    6                                            
CONECT   29   30    2    2                                            
CONECT   30   11   11   29                                            
CONECT   31   23   12   12                                            
CONECT   32   14   15                                                 
CONECT   33   20   19                                                 
CONECT   34   37   37                                                 
CONECT   35   37   37                                                 
CONECT   36    5   64                                                 
CONECT   37   26   34   34    3                                       
CONECT   37   35   35                                                 
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
