COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.836  -0.790   0.334  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.536  -4.356  -0.764  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.286  -5.513  -0.830  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.216  -5.793   0.161  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.390  -4.909   1.216  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.636  -3.753   1.278  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.706  -3.479   0.292  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.956  -6.931   0.098  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.886  -2.217   0.361  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.624  -1.088  -0.362  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.751   0.140  -0.399  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.088   1.142   0.196  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.596   0.125  -1.093  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.747   1.318  -1.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.322   0.913  -1.401  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.028  -0.262  -1.474  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.231   2.254  -2.239  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.269   1.495  -3.566  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.634   2.763  -1.902  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.627   2.461  -4.697  1.00  0.00           C  
HETATM   21  N   UNL     1       0.628   1.856  -1.562  1.00  0.00           N  
HETATM   22  C   UNL     1       0.449   3.299  -1.379  1.00  0.00           C  
HETATM   23  C   UNL     1       1.843   3.848  -1.024  1.00  0.00           C  
HETATM   24  C   UNL     1       2.737   2.990  -1.971  1.00  0.00           C  
HETATM   25  C   UNL     1       2.031   1.617  -1.947  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.600   3.638  -0.345  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.161   3.202   1.053  1.00  0.00           C  
HETATM   28  C   UNL     1       1.152   3.915   1.393  1.00  0.00           C  
HETATM   29  C   UNL     1       2.225   3.461   0.407  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.164   3.560   2.006  1.00  0.00           O  
HETATM   31  S   UNL     1      -1.320   2.562   3.145  1.00  0.00           S  
HETATM   32  O   UNL     1      -1.172   1.271   2.570  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.135   2.755   4.079  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.474   2.961   3.872  1.00  0.00           O  
HETATM   35  C   UNL     1       2.693   0.713  -0.938  1.00  0.00           C  
HETATM   36  O   UNL     1       2.108   0.410   0.080  1.00  0.00           O  
HETATM   37  N   UNL     1       3.934   0.243  -1.168  1.00  0.00           N  
HETATM   38  C   UNL     1       4.578  -0.635  -0.187  1.00  0.00           C  
HETATM   39  C   UNL     1       5.971  -1.023  -0.687  1.00  0.00           C  
HETATM   40  C   UNL     1       6.643  -1.940   0.337  1.00  0.00           C  
HETATM   41  C   UNL     1       8.036  -2.328  -0.162  1.00  0.00           C  
HETATM   42  N   UNL     1       8.679  -3.206   0.818  1.00  0.00           N  
HETATM   43  C   UNL     1       9.946  -3.686   0.584  1.00  0.00           C  
HETATM   44  N   UNL     1      10.519  -4.467   1.456  1.00  0.00           N  
HETATM   45  N   UNL     1      10.610  -3.342  -0.570  1.00  0.00           N  
HETATM   46  H   UNL     1      -3.812  -4.137  -1.535  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.150  -6.200  -1.652  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.113  -5.124   1.989  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.771  -3.064   2.099  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.551  -7.689   0.541  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.732  -1.940   1.405  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.921  -2.384  -0.116  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.705  -0.505   1.248  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.856  -1.400  -1.380  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.326  -0.677  -1.569  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.803   1.833  -0.170  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.549   3.100  -2.324  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.292   1.054  -3.761  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.020   0.706  -3.512  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.607   3.304  -0.956  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.979   3.429  -2.692  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.317   1.917  -1.817  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.716   1.909  -5.633  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.575   2.950  -4.472  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.844   3.214  -4.793  1.00  0.00           H  
HETATM   66  H   UNL     1       0.140   3.732  -2.330  1.00  0.00           H  
HETATM   67  H   UNL     1       1.933   4.918  -1.213  1.00  0.00           H  
HETATM   68  H   UNL     1       2.746   3.408  -2.977  1.00  0.00           H  
HETATM   69  H   UNL     1       3.750   2.908  -1.576  1.00  0.00           H  
HETATM   70  H   UNL     1       2.071   1.164  -2.937  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.767   4.715  -0.346  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.530   3.132  -0.601  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.007   2.123   1.069  1.00  0.00           H  
HETATM   74  H   UNL     1       1.014   4.994   1.312  1.00  0.00           H  
HETATM   75  H   UNL     1       1.456   3.658   2.408  1.00  0.00           H  
HETATM   76  H   UNL     1       2.335   2.378   0.469  1.00  0.00           H  
HETATM   77  H   UNL     1       3.173   3.933   0.665  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.137   2.164   4.845  1.00  0.00           H  
HETATM   79  H   UNL     1       4.402   0.486  -1.982  1.00  0.00           H  
HETATM   80  H   UNL     1       4.666  -0.113   0.766  1.00  0.00           H  
HETATM   81  H   UNL     1       3.976  -1.534  -0.055  1.00  0.00           H  
HETATM   82  H   UNL     1       5.883  -1.545  -1.640  1.00  0.00           H  
HETATM   83  H   UNL     1       6.573  -0.124  -0.819  1.00  0.00           H  
HETATM   84  H   UNL     1       6.731  -1.418   1.290  1.00  0.00           H  
HETATM   85  H   UNL     1       6.041  -2.839   0.470  1.00  0.00           H  
HETATM   86  H   UNL     1       7.948  -2.850  -1.115  1.00  0.00           H  
HETATM   87  H   UNL     1       8.638  -1.429  -0.295  1.00  0.00           H  
HETATM   88  H   UNL     1       8.212  -3.449   1.632  1.00  0.00           H  
HETATM   89  H   UNL     1      11.413  -4.806   1.291  1.00  0.00           H  
HETATM   90  H   UNL     1      10.184  -2.760  -1.219  1.00  0.00           H  
HETATM   91  H   UNL     1      11.503  -3.680  -0.735  1.00  0.00           H  
CONECT    1   10   53                                                 
CONECT    2    7    3    3   46                                       
CONECT    3    4    2    2   47                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   48                                       
CONECT    6    7    7    5   49                                       
CONECT    7    9    2    6    6                                       
CONECT    8    4   50                                                 
CONECT    9   10    7   51   52                                       
CONECT   10   11    1    9   54                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   14   55   11                                            
CONECT   14   13   15   17   56                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   19   57                                       
CONECT   18   17   20   58   59                                       
CONECT   19   17   60   61   62                                       
CONECT   20   18   63   64   65                                       
CONECT   21   22   25   15                                            
CONECT   22   21   23   26   66                                       
CONECT   23   22   24   29   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   21   24   35   70                                       
CONECT   26   22   27   71   72                                       
CONECT   27   26   28   30   73                                       
CONECT   28   27   29   74   75                                       
CONECT   29   23   28   76   77                                       
CONECT   30   27   31                                                 
CONECT   31   30   32   32   33                                       
CONECT   31   34   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   78                                                 
CONECT   34   31   31                                                 
CONECT   35   25   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   38   79   35                                            
CONECT   38   37   39   80   81                                       
CONECT   39   38   40   82   83                                       
CONECT   40   39   41   84   85                                       
CONECT   41   40   42   86   87                                       
CONECT   42   41   43   88                                            
CONECT   43   42   44   44   45                                       
CONECT   44   43   43   89                                            
CONECT   45   43   90   91                                            
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    1                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
