COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.364  -0.535  -0.251  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.853   0.112  -1.156  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.030  -1.768   0.220  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.223  -2.188  -0.369  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.838  -3.347   0.073  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.274  -4.082   1.108  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.094  -3.664   1.696  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.470  -2.514   1.259  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.997  -3.763  -0.502  1.00  0.00           O  
HETATM   10  N   UNL     1       2.097   2.103  -0.227  1.00  0.00           N  
HETATM   11  C   UNL     1       2.709   2.559   1.023  1.00  0.00           C  
HETATM   12  C   UNL     1       3.044   4.048   0.913  1.00  0.00           C  
HETATM   13  C   UNL     1       1.750   4.854   0.786  1.00  0.00           C  
HETATM   14  C   UNL     1       3.802   4.494   2.165  1.00  0.00           C  
HETATM   15  C   UNL     1       0.651   2.234  -0.425  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.058   1.017   0.172  1.00  0.00           C  
HETATM   17  C   UNL     1       4.246   5.949   2.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.129   1.003   1.589  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.554   1.093  -0.144  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.214  -0.129   0.323  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.164   2.304   0.564  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.598   1.817   0.883  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.922   1.951   0.509  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.255   2.717  -0.592  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.264   3.350  -1.319  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.940   3.217  -0.945  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.607   2.450   0.156  1.00  0.00           C  
HETATM   28  C   UNL     1       5.126  -5.561   1.108  1.00  0.00           C  
HETATM   29  N   UNL     1       4.112  -6.039   0.442  1.00  0.00           N  
HETATM   30  O   UNL     1       3.496  -5.171  -0.131  1.00  0.00           O  
HETATM   31  S   UNL     1       4.309  -1.107  -0.127  1.00  0.00           S  
HETATM   32  C   UNL     1       3.566  -2.670  -0.442  1.00  0.00           C  
HETATM   33  C   UNL     1       4.038  -3.958   0.087  1.00  0.00           C  
HETATM   34  C   UNL     1       5.122  -4.168   0.904  1.00  0.00           C  
HETATM   35  C   UNL     1       3.104  -0.298  -1.119  1.00  0.00           C  
HETATM   36  C   UNL     1       2.244  -1.194  -1.615  1.00  0.00           C  
HETATM   37  C   UNL     1       2.485  -2.501  -1.252  1.00  0.00           C  
HETATM   38  S   UNL     1       3.038   1.438  -1.416  1.00  0.00           S  
HETATM   39  O   UNL     1       4.355   1.930  -1.207  1.00  0.00           O  
HETATM   40  O   UNL     1       2.327   1.610  -2.634  1.00  0.00           O  
HETATM   41  H   UNL     1      -5.663  -1.613  -1.170  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.758  -4.983   1.454  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.660  -4.240   2.499  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.549  -2.190   1.720  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.793  -3.410  -0.081  1.00  0.00           H  
HETATM   46  H   UNL     1       2.013   2.404   1.847  1.00  0.00           H  
HETATM   47  H   UNL     1       3.623   1.994   1.208  1.00  0.00           H  
HETATM   48  H   UNL     1       3.665   4.216   0.033  1.00  0.00           H  
HETATM   49  H   UNL     1       1.979   5.919   0.831  1.00  0.00           H  
HETATM   50  H   UNL     1       1.272   4.626  -0.167  1.00  0.00           H  
HETATM   51  H   UNL     1       1.077   4.592   1.602  1.00  0.00           H  
HETATM   52  H   UNL     1       3.150   4.409   3.034  1.00  0.00           H  
HETATM   53  H   UNL     1       4.678   3.861   2.304  1.00  0.00           H  
HETATM   54  H   UNL     1       0.298   3.139   0.069  1.00  0.00           H  
HETATM   55  H   UNL     1       0.435   2.294  -1.491  1.00  0.00           H  
HETATM   56  H   UNL     1       0.358   0.106  -0.259  1.00  0.00           H  
HETATM   57  H   UNL     1       4.898   6.034   1.131  1.00  0.00           H  
HETATM   58  H   UNL     1       3.370   6.583   1.861  1.00  0.00           H  
HETATM   59  H   UNL     1       4.786   6.267   2.892  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.218   1.785   2.039  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.693   1.193  -1.220  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.823  -0.646   1.045  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.103   2.163   1.643  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.614   3.203   0.285  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.338   1.222   1.746  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.696   1.456   1.077  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.289   2.821  -0.885  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.524   3.948  -2.180  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.166   3.711  -1.513  1.00  0.00           H  
HETATM   70  H   UNL     1       5.828  -6.123   1.705  1.00  0.00           H  
HETATM   71  H   UNL     1       5.810  -3.435   1.298  1.00  0.00           H  
HETATM   72  H   UNL     1       1.420  -0.914  -2.254  1.00  0.00           H  
HETATM   73  H   UNL     1       1.867  -3.323  -1.582  1.00  0.00           H  
CONECT    1   20    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    8    8    4                                       
CONECT    4    3    5    5   41                                       
CONECT    5    6    4    4    9                                       
CONECT    6    7    7    5   42                                       
CONECT    7    8    6    6   43                                       
CONECT    8    3    3    7   44                                       
CONECT    9    5   45                                                 
CONECT   10   38   11   15                                            
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   14   48                                       
CONECT   13   12   49   50   51                                       
CONECT   14   12   17   52   53                                       
CONECT   15   10   16   54   55                                       
CONECT   16   15   18   19   56                                       
CONECT   17   14   57   58   59                                       
CONECT   18   16   60                                                 
CONECT   19   16   20   21   61                                       
CONECT   20   19    1   62                                            
CONECT   21   19   27   63   64                                       
CONECT   22   23   23   27   65                                       
CONECT   23   22   22   24   66                                       
CONECT   24   23   25   25   67                                       
CONECT   25   24   24   26   68                                       
CONECT   26   25   27   27   69                                       
CONECT   27   21   22   26   26                                       
CONECT   28   29   29   34   70                                       
CONECT   29   28   28   30                                            
CONECT   30   29   33                                                 
CONECT   31   32   35                                                 
CONECT   32   31   33   37   37                                       
CONECT   33   30   32   34   34                                       
CONECT   34   28   33   33   71                                       
CONECT   35   31   36   36   38                                       
CONECT   36   35   35   37   72                                       
CONECT   37   32   32   36   73                                       
CONECT   38   35   39   39   40                                       
CONECT   38   40   10                                                 
CONECT   39   38   38                                                 
CONECT   40   38   38                                                 
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
