COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.738  -5.368   0.745  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.680  -4.958   0.685  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.346  -4.443   0.609  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.058  -3.369  -0.239  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.775  -2.875  -0.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.331  -5.008   1.386  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.050  -4.510   1.310  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.766  -3.444   0.462  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.469  -2.942   0.388  1.00  0.00           N  
HETATM   10  C   UNL     1       0.608  -3.583   1.145  1.00  0.00           C  
HETATM   11  C   UNL     1       1.335  -4.560   0.257  1.00  0.00           C  
HETATM   12  N   UNL     1       0.966  -5.851  -0.009  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.212  -6.545   0.518  1.00  0.00           C  
HETATM   14  C   UNL     1       1.890  -6.365  -0.849  1.00  0.00           C  
HETATM   15  N   UNL     1       2.787  -5.450  -1.095  1.00  0.00           N  
HETATM   16  C   UNL     1       2.468  -4.328  -0.433  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.183  -1.773  -0.447  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.293  -0.503   0.399  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.126   0.672  -0.460  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.234   1.124  -1.306  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.133   2.070  -0.508  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.817   1.293   0.619  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.689   2.250   1.438  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.617   2.937   0.530  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.944   2.924   0.765  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.783   3.559  -0.076  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.199   3.502   0.239  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.660   2.044   0.256  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.441   4.130   1.613  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.988   4.274  -0.820  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.384   2.339   1.735  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.071   3.641  -0.639  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.194   2.668  -1.434  1.00  0.00           C  
HETATM   34  S   UNL     1       1.314   1.489  -0.475  1.00  0.00           S  
HETATM   35  O   UNL     1       1.007   2.838  -0.802  1.00  0.00           O  
HETATM   36  O   UNL     1       2.000   1.114   0.711  1.00  0.00           O  
HETATM   37  C   UNL     1       2.260   0.855  -1.819  1.00  0.00           C  
HETATM   38  C   UNL     1       1.648   0.105  -2.802  1.00  0.00           C  
HETATM   39  C   UNL     1       2.389  -0.395  -3.858  1.00  0.00           C  
HETATM   40  C   UNL     1       3.747  -0.145  -3.934  1.00  0.00           C  
HETATM   41  C   UNL     1       4.370   0.604  -2.957  1.00  0.00           C  
HETATM   42  C   UNL     1       3.627   1.114  -1.894  1.00  0.00           C  
HETATM   43  C   UNL     1       4.290   1.925  -0.844  1.00  0.00           C  
HETATM   44  C   UNL     1       5.323   1.378  -0.085  1.00  0.00           C  
HETATM   45  C   UNL     1       3.886   3.239  -0.615  1.00  0.00           C  
HETATM   46  C   UNL     1       4.506   3.989   0.363  1.00  0.00           C  
HETATM   47  C   UNL     1       5.527   3.439   1.117  1.00  0.00           C  
HETATM   48  C   UNL     1       5.936   2.137   0.891  1.00  0.00           C  
HETATM   49  C   UNL     1       7.053   1.546   1.712  1.00  0.00           C  
HETATM   50  C   UNL     1       8.399   1.918   1.085  1.00  0.00           C  
HETATM   51  C   UNL     1       9.517   1.424   1.967  1.00  0.00           C  
HETATM   52  O   UNL     1       9.266   0.920   3.036  1.00  0.00           O  
HETATM   53  O   UNL     1      10.792   1.545   1.564  1.00  0.00           O  
HETATM   54  H   UNL     1      -4.841  -2.927  -0.838  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.551  -2.046  -0.964  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.552  -5.835   2.045  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.266  -4.946   1.911  1.00  0.00           H  
HETATM   58  H   UNL     1       1.307  -2.824   1.497  1.00  0.00           H  
HETATM   59  H   UNL     1       0.187  -4.113   2.000  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.060  -6.377  -0.146  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.006  -7.613   0.581  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.446  -6.160   1.510  1.00  0.00           H  
HETATM   63  H   UNL     1       1.888  -7.368  -1.249  1.00  0.00           H  
HETATM   64  H   UNL     1       3.026  -3.404  -0.445  1.00  0.00           H  
HETATM   65  H   UNL     1       0.826  -1.854  -0.851  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.900  -1.727  -1.267  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.273  -0.468   0.876  1.00  0.00           H  
HETATM   68  H   UNL     1       0.483  -0.507   1.164  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.836   1.648  -2.176  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.814   0.262  -1.636  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.529   2.871  -0.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.440   0.507   0.193  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.060   0.847   1.265  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.255   1.685   2.179  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.057   2.983   1.938  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.098   1.494   1.011  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.724   2.001   0.493  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.488   1.596  -0.723  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.113   5.169   1.601  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.505   4.088   1.850  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.879   3.580   2.368  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.816   3.827  -1.799  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.052   4.232  -0.584  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.660   5.313  -0.833  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.888   3.994  -1.268  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.471   4.489  -0.308  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.706   3.202  -2.250  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.814   1.869  -1.841  1.00  0.00           H  
HETATM   89  H   UNL     1       0.587  -0.093  -2.747  1.00  0.00           H  
HETATM   90  H   UNL     1       1.906  -0.982  -4.625  1.00  0.00           H  
HETATM   91  H   UNL     1       4.322  -0.538  -4.760  1.00  0.00           H  
HETATM   92  H   UNL     1       5.431   0.798  -3.017  1.00  0.00           H  
HETATM   93  H   UNL     1       5.643   0.362  -0.261  1.00  0.00           H  
HETATM   94  H   UNL     1       3.089   3.670  -1.204  1.00  0.00           H  
HETATM   95  H   UNL     1       4.193   5.008   0.541  1.00  0.00           H  
HETATM   96  H   UNL     1       6.010   4.030   1.881  1.00  0.00           H  
HETATM   97  H   UNL     1       7.005   1.940   2.728  1.00  0.00           H  
HETATM   98  H   UNL     1       6.951   0.462   1.737  1.00  0.00           H  
HETATM   99  H   UNL     1       8.481   1.456   0.101  1.00  0.00           H  
HETATM  100  H   UNL     1       8.466   3.001   0.985  1.00  0.00           H  
HETATM  101  H   UNL     1      11.474   1.214   2.164  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    6    6    4                                       
CONECT    4    3    5    5   54                                       
CONECT    5    4    4    8   55                                       
CONECT    6    3    3    7   56                                       
CONECT    7    6    8    8   57                                       
CONECT    8    5    7    7    9                                       
CONECT    9    8   10   17                                            
CONECT   10    9   11   58   59                                       
CONECT   11   10   16   16   12                                       
CONECT   12   11   14   13                                            
CONECT   13   12   60   61   62                                       
CONECT   14   12   15   15   63                                       
CONECT   15   14   14   16                                            
CONECT   16   11   11   15   64                                       
CONECT   17    9   18   65   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20   34                                            
CONECT   20   19   21   69   70                                       
CONECT   21   20   22   33   71                                       
CONECT   22   21   23   72   73                                       
CONECT   23   22   24   74   75                                       
CONECT   24   23   25   32                                            
CONECT   25   24   31   31   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   30   29                                       
CONECT   28   27   76   77   78                                       
CONECT   29   27   79   80   81                                       
CONECT   30   27   82   83   84                                       
CONECT   31   25   25                                                 
CONECT   32   24   33   85   86                                       
CONECT   33   21   32   87   88                                       
CONECT   34   19   37   36   36                                       
CONECT   34   35   35                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   38   42                                       
CONECT   38   37   37   39   89                                       
CONECT   39   38   40   40   90                                       
CONECT   40   39   39   41   91                                       
CONECT   41   40   42   42   92                                       
CONECT   42   37   41   41   43                                       
CONECT   43   42   45   45   44                                       
CONECT   44   43   48   48   93                                       
CONECT   45   43   43   46   94                                       
CONECT   46   45   47   47   95                                       
CONECT   47   46   46   48   96                                       
CONECT   48   44   44   47   49                                       
CONECT   49   48   50   97   98                                       
CONECT   50   49   51   99  100                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   51  101                                                 
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   53                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
