COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.413   1.052   0.686  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.052  -0.144   0.363  1.00  0.00           N  
HETATM    3  C   UNL     1       5.478   2.445  -1.334  1.00  0.00           C  
HETATM    4  C   UNL     1       5.488   3.690  -0.475  1.00  0.00           C  
HETATM    5  C   UNL     1       4.843   3.237   0.856  1.00  0.00           C  
HETATM    6  C   UNL     1       5.130   1.719   0.844  1.00  0.00           C  
HETATM    7  C   UNL     1       3.964   0.955   1.474  1.00  0.00           C  
HETATM    8  C   UNL     1       1.596   0.746   1.254  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.828   0.499   1.234  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.553  -3.907   0.809  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.267   1.329   2.442  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.219  -0.659   3.617  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.056   1.631   4.160  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.904   0.538   0.180  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.123  -0.056  -0.633  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.008  -1.301  -0.540  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.536   0.723   3.043  1.00  0.00           C  
HETATM   18  N   UNL     1       5.271   1.358  -0.572  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.207  -2.530  -0.972  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.880  -4.380   0.398  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.114  -3.782  -1.007  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.967   1.191  -0.366  1.00  0.00           C  
HETATM   23  C   UNL     1       5.194  -0.011  -1.087  1.00  0.00           C  
HETATM   24  C   UNL     1       6.591  -0.635  -1.087  1.00  0.00           C  
HETATM   25  C   UNL     1       7.101  -0.817   0.361  1.00  0.00           C  
HETATM   26  C   UNL     1       7.311  -2.354   0.514  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.155  -2.861   0.064  1.00  0.00           C  
HETATM   28  C   UNL     1       8.547  -2.671  -0.382  1.00  0.00           C  
HETATM   29  C   UNL     1       8.038  -2.489  -1.829  1.00  0.00           C  
HETATM   30  C   UNL     1       6.541  -2.079  -1.672  1.00  0.00           C  
HETATM   31  C   UNL     1       6.150  -2.898  -0.392  1.00  0.00           C  
HETATM   32  O   UNL     1       5.630   2.431  -2.537  1.00  0.00           O  
HETATM   33  O   UNL     1       2.726   1.332   0.815  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.103  -2.273   0.198  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.662   1.040   0.874  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.737   1.182  -0.834  1.00  0.00           O  
HETATM   37  O   UNL     1       1.643  -0.060   2.163  1.00  0.00           O  
HETATM   38  H   UNL     1       0.383   1.642  -0.084  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.169  -0.692   1.155  1.00  0.00           H  
HETATM   40  H   UNL     1       6.510   4.030  -0.307  1.00  0.00           H  
HETATM   41  H   UNL     1       4.894   4.478  -0.937  1.00  0.00           H  
HETATM   42  H   UNL     1       5.325   3.718   1.707  1.00  0.00           H  
HETATM   43  H   UNL     1       3.771   3.431   0.856  1.00  0.00           H  
HETATM   44  H   UNL     1       6.054   1.505   1.381  1.00  0.00           H  
HETATM   45  H   UNL     1       4.125  -0.117   1.357  1.00  0.00           H  
HETATM   46  H   UNL     1       3.900   1.199   2.534  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.660  -0.533   1.544  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.032  -4.296   1.529  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.474   1.329   3.190  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.467   2.353   2.125  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.137  -1.123   3.977  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.777  -1.283   2.840  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.516  -0.557   4.444  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.282   2.616   3.751  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.960   1.199   4.588  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.295   1.726   4.935  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.687   0.006  -1.630  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.346  -1.430   0.488  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.872  -1.181  -1.194  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.296   0.629   2.268  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.750  -2.363  -1.947  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.895  -5.469   0.352  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.641  -4.021   1.092  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.158  -3.503  -1.147  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.790  -4.477  -1.782  1.00  0.00           H  
HETATM   66  S   UNL     1      -6.167   1.408  -1.709  1.00  0.00           S  
HETATM   67  H   UNL     1      -4.318   2.065  -0.314  1.00  0.00           H  
HETATM   68  H   UNL     1       4.533  -0.602  -0.453  1.00  0.00           H  
HETATM   69  H   UNL     1       4.803   0.005  -2.104  1.00  0.00           H  
HETATM   70  H   UNL     1       7.283  -0.015  -1.659  1.00  0.00           H  
HETATM   71  H   UNL     1       8.044  -0.289   0.501  1.00  0.00           H  
HETATM   72  H   UNL     1       6.356  -0.462   1.073  1.00  0.00           H  
HETATM   73  H   UNL     1       7.354  -2.729   1.537  1.00  0.00           H  
HETATM   74  H   UNL     1       9.356  -1.971  -0.173  1.00  0.00           H  
HETATM   75  H   UNL     1       8.597  -1.700  -2.333  1.00  0.00           H  
HETATM   76  H   UNL     1       5.915  -2.215  -2.554  1.00  0.00           H  
HETATM   77  H   UNL     1       6.227  -3.973  -0.554  1.00  0.00           H  
HETATM   78  H   UNL     1       5.168  -2.616  -0.011  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.082   0.920   1.638  1.00  0.00           H  
HETATM   80  O   UNL     1      -7.000   0.263  -1.824  1.00  0.00           O  
HETATM   81  O   UNL     1      -6.720   2.717  -1.677  1.00  0.00           O  
HETATM   82  O   UNL     1      -5.325   1.389  -2.977  1.00  0.00           O  
HETATM   83  H   UNL     1      -5.837   1.496  -3.790  1.00  0.00           H  
HETATM   84  H   UNL     1       8.881  -3.696  -0.220  1.00  0.00           H  
HETATM   85  H   UNL     1       8.121  -3.424  -2.382  1.00  0.00           H  
CONECT    1    8    9   38                                            
CONECT    2   15   14   39                                            
CONECT    3   32   32    4   18                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6   18    5    7   44                                       
CONECT    7    6   33   45   46                                       
CONECT    8   37   37   33    1                                       
CONECT    9    1   14   11   47                                       
CONECT   10   27   20   48                                            
CONECT   11    9   17   49   50                                       
CONECT   12   17   51   52   53                                       
CONECT   13   17   54   55   56                                       
CONECT   14    9    2   36   36                                       
CONECT   15   16    2   22   57                                       
CONECT   16   19   15   58   59                                       
CONECT   17   13   11   12   60                                       
CONECT   18    3   23    6                                            
CONECT   19   27   16   21   61                                       
CONECT   20   10   21   62   63                                       
CONECT   21   19   20   64   65                                       
CONECT   22   15   35   66   67                                       
CONECT   23   18   24   68   69                                       
CONECT   24   23   30   25   70                                       
CONECT   25   24   26   71   72                                       
CONECT   26   31   25   28   73                                       
CONECT   27   34   34   10   19                                       
CONECT   28   26   29   74   84                                       
CONECT   29   30   28   75   85                                       
CONECT   30   31   24   29   76                                       
CONECT   31   30   26   77   78                                       
CONECT   32    3    3                                                 
CONECT   33    7    8                                                 
CONECT   34   27   27                                                 
CONECT   35   22   79                                                 
CONECT   36   14   14                                                 
CONECT   37    8    8                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22   80   80   81                                       
CONECT   66   81   82                                                 
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   35                                                      
CONECT   80   66   66                                                 
CONECT   81   66   66                                                 
CONECT   82   66   83                                                 
CONECT   83   82                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
