COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.179   4.078  -2.431  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.343   4.101  -2.589  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.947   5.067  -1.568  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.702   4.563  -4.003  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.642   2.212  -1.162  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.856   0.371   0.420  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.347   0.258   0.650  1.00  0.00           C  
HETATM    8  C   UNL     1       2.095  -1.017  -0.035  1.00  0.00           C  
HETATM    9  C   UNL     1       2.797  -2.108  -0.847  1.00  0.00           C  
HETATM   10  C   UNL     1       2.195  -3.448  -0.513  1.00  0.00           C  
HETATM   11  C   UNL     1       1.117  -3.945  -1.264  1.00  0.00           C  
HETATM   12  C   UNL     1       0.575  -3.214  -2.336  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.469  -3.727  -3.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.013  -4.969  -2.717  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.515  -5.705  -1.687  1.00  0.00           C  
HETATM   16  C   UNL     1       0.564  -5.208  -0.935  1.00  0.00           C  
HETATM   17  C   UNL     1       1.105  -5.939   0.135  1.00  0.00           C  
HETATM   18  C   UNL     1       2.151  -5.426   0.841  1.00  0.00           C  
HETATM   19  C   UNL     1       2.697  -4.187   0.515  1.00  0.00           C  
HETATM   20  C   UNL     1       2.785   0.303  -0.266  1.00  0.00           C  
HETATM   21  C   UNL     1       4.594   1.876   0.169  1.00  0.00           C  
HETATM   22  C   UNL     1       5.835   1.950   1.020  1.00  0.00           C  
HETATM   23  C   UNL     1       7.047   1.498   0.531  1.00  0.00           C  
HETATM   24  C   UNL     1       8.119   2.051   2.494  1.00  0.00           C  
HETATM   25  C   UNL     1       6.946   2.526   3.047  1.00  0.00           C  
HETATM   26  C   UNL     1       5.778   2.477   2.301  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.474   1.247   1.513  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.972   1.268   1.352  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.752   0.217   1.862  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.165  -0.872   2.528  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.952  -1.872   3.009  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.336  -1.834   2.851  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.941  -0.796   2.211  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.160   0.255   1.701  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.748   1.344   1.035  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.960   2.345   0.555  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.577   2.309   0.717  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.107   0.976  -0.890  1.00  0.00           N  
HETATM   39  N   UNL     1       3.924   0.593   0.393  1.00  0.00           N  
HETATM   40  N   UNL     1       8.137   1.560   1.270  1.00  0.00           N  
HETATM   41  O   UNL     1      -1.872   2.768  -2.366  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.016   2.824  -0.320  1.00  0.00           O  
HETATM   43  O   UNL     1       2.314   1.105  -1.045  1.00  0.00           O  
HETATM   44  S   UNL     1       0.363  -0.894  -0.558  1.00  0.00           S  
HETATM   45  H   UNL     1       0.577   5.080  -2.598  1.00  0.00           H  
HETATM   46  H   UNL     1       0.435   3.749  -1.424  1.00  0.00           H  
HETATM   47  H   UNL     1       0.610   3.390  -3.158  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.549   6.068  -1.735  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.031   5.084  -1.681  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.691   4.738  -0.561  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.271   3.875  -4.730  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.786   4.579  -4.115  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.304   5.564  -4.170  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.304  -0.622   0.454  1.00  0.00           H  
HETATM   55  H   UNL     1       0.113   1.239   0.530  1.00  0.00           H  
HETATM   56  H   UNL     1       2.138  -1.269   1.025  1.00  0.00           H  
HETATM   57  H   UNL     1       2.670  -1.907  -1.911  1.00  0.00           H  
HETATM   58  H   UNL     1       3.859  -2.115  -0.603  1.00  0.00           H  
HETATM   59  H   UNL     1       0.986  -2.250  -2.598  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.883  -3.163  -3.864  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.842  -5.353  -3.293  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.947  -6.665  -1.447  1.00  0.00           H  
HETATM   63  H   UNL     1       0.694  -6.903   0.398  1.00  0.00           H  
HETATM   64  H   UNL     1       2.565  -5.990   1.663  1.00  0.00           H  
HETATM   65  H   UNL     1       3.526  -3.803   1.090  1.00  0.00           H  
HETATM   66  H   UNL     1       3.920   2.690   0.438  1.00  0.00           H  
HETATM   67  H   UNL     1       4.868   1.964  -0.882  1.00  0.00           H  
HETATM   68  H   UNL     1       7.101   1.090  -0.467  1.00  0.00           H  
HETATM   69  H   UNL     1       9.033   2.085   3.069  1.00  0.00           H  
HETATM   70  H   UNL     1       6.937   2.927   4.050  1.00  0.00           H  
HETATM   71  H   UNL     1       4.846   2.842   2.707  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.219   0.840   2.491  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.084   2.261   1.428  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.093  -0.915   2.658  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.498  -2.708   3.520  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.938  -2.641   3.241  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.014  -0.780   2.095  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.819   1.387   0.905  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.415   3.181   0.044  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.974   3.116   0.327  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.607   0.487  -1.562  1.00  0.00           H  
HETATM   82  H   UNL     1       4.300  -0.048   1.016  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.160  -0.111   1.658  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3    4   41                                       
CONECT    3    2   48   49   50                                       
CONECT    4    2   51   52   53                                       
CONECT    5   41   42   42   38                                       
CONECT    6   27   38    7   54                                       
CONECT    7    6   44   55   83                                       
CONECT    8   20    9   44   56                                       
CONECT    9    8   10   57   58                                       
CONECT   10    9   19   11   11                                       
CONECT   11   10   10   16   12                                       
CONECT   12   11   13   13   59                                       
CONECT   13   12   12   14   60                                       
CONECT   14   15   15   13   61                                       
CONECT   15   16   14   14   62                                       
CONECT   16   17   17   11   15                                       
CONECT   17   18   16   16   63                                       
CONECT   18   19   19   17   64                                       
CONECT   19   18   18   10   65                                       
CONECT   20   43   43   39    8                                       
CONECT   21   22   39   66   67                                       
CONECT   22   26   26   23   21                                       
CONECT   23   40   40   22   68                                       
CONECT   24   25   25   40   69                                       
CONECT   25   24   24   26   70                                       
CONECT   26   25   22   22   71                                       
CONECT   27   28    6   72   73                                       
CONECT   28   37   37   29   27                                       
CONECT   29   34   28   30   30                                       
CONECT   30   29   29   31   74                                       
CONECT   31   32   32   30   75                                       
CONECT   32   33   31   31   76                                       
CONECT   33   34   34   32   77                                       
CONECT   34   35   33   33   29                                       
CONECT   35   36   36   34   78                                       
CONECT   36   35   35   37   79                                       
CONECT   37   36   28   28   80                                       
CONECT   38    5    6   81                                            
CONECT   39   21   20   82                                            
CONECT   40   24   23   23                                            
CONECT   41    2    5                                                 
CONECT   42    5    5                                                 
CONECT   43   20   20                                                 
CONECT   44    7    8                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83    7                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
