COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.252  -1.708  -0.040  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.063  -0.666  -0.304  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.364  -0.819  -0.572  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.967  -2.022  -0.600  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.209  -3.193  -0.335  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.722  -4.298  -0.350  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.772  -3.014  -0.040  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.948  -4.104   0.232  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.520  -5.498   0.230  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.608  -3.908   0.503  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.073  -2.621   0.506  1.00  0.00           C  
HETATM   12  C   UNL     1       0.366  -2.411   0.793  1.00  0.00           C  
HETATM   13  O   UNL     1       1.035  -3.307   1.269  1.00  0.00           O  
HETATM   14  C   UNL     1       0.977  -1.100   0.489  1.00  0.00           C  
HETATM   15  C   UNL     1       2.358  -0.949   0.476  1.00  0.00           C  
HETATM   16  C   UNL     1       2.916   0.289   0.194  1.00  0.00           C  
HETATM   17  C   UNL     1       2.112   1.378  -0.068  1.00  0.00           C  
HETATM   18  C   UNL     1       0.725   1.250  -0.056  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.062   2.323  -0.316  1.00  0.00           O  
HETATM   20  C   UNL     1       0.149   0.009   0.226  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.894  -1.513   0.236  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.317  -0.154   0.244  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.044   0.821   0.264  1.00  0.00           O  
HETATM   24  C   UNL     1       3.249  -2.130   0.761  1.00  0.00           C  
HETATM   25  O   UNL     1       4.535  -1.667   1.168  1.00  0.00           O  
HETATM   26  C   UNL     1       5.286  -2.801   1.598  1.00  0.00           C  
HETATM   27  C   UNL     1       6.602  -2.333   2.223  1.00  0.00           C  
HETATM   28  C   UNL     1       5.585  -3.706   0.401  1.00  0.00           C  
HETATM   29  O   UNL     1       6.362  -4.826   0.831  1.00  0.00           O  
HETATM   30  C   UNL     1       4.262  -4.199  -0.196  1.00  0.00           C  
HETATM   31  N   UNL     1       4.524  -4.944  -1.435  1.00  0.00           N1+
HETATM   32  C   UNL     1       3.256  -5.446  -1.981  1.00  0.00           C  
HETATM   33  C   UNL     1       5.161  -4.055  -2.416  1.00  0.00           C  
HETATM   34  C   UNL     1       3.382  -2.982  -0.504  1.00  0.00           C  
HETATM   35  C   UNL     1       2.737   2.716  -0.372  1.00  0.00           C  
HETATM   36  O   UNL     1       4.048   2.518  -0.897  1.00  0.00           O  
HETATM   37  C   UNL     1       4.532   3.785  -1.338  1.00  0.00           C  
HETATM   38  C   UNL     1       3.506   4.422  -2.277  1.00  0.00           C  
HETATM   39  C   UNL     1       4.756   4.701  -0.133  1.00  0.00           C  
HETATM   40  O   UNL     1       5.266   5.961  -0.575  1.00  0.00           O  
HETATM   41  C   UNL     1       3.419   4.914   0.588  1.00  0.00           C  
HETATM   42  N   UNL     1       2.502   5.665  -0.280  1.00  0.00           N1+
HETATM   43  C   UNL     1       1.229   5.877   0.420  1.00  0.00           C  
HETATM   44  C   UNL     1       3.099   6.966  -0.614  1.00  0.00           C  
HETATM   45  C   UNL     1       3.653   5.693   1.884  1.00  0.00           C  
HETATM   46  C   UNL     1       2.814   3.544   0.913  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.191   0.408  -0.857  1.00  0.00           C  
HETATM   48  O   UNL     1      -5.661   1.674  -0.459  1.00  0.00           O  
HETATM   49  C   UNL     1      -7.038   0.358  -2.129  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.744   1.187   0.338  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.107   1.864   0.180  1.00  0.00           C  
HETATM   52  O   UNL     1      -8.130   3.283   0.011  1.00  0.00           O  
HETATM   53  C   UNL     1      -8.565   2.813   1.290  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.062   2.877   1.601  1.00  0.00           C  
HETATM   55  H   UNL     1      -7.022  -2.096  -0.821  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.554  -5.875  -0.792  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.890  -6.150   0.837  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.528  -5.478   0.644  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.972  -4.755   0.714  1.00  0.00           H  
HETATM   60  H   UNL     1       3.990   0.402   0.181  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.213   2.334  -1.271  1.00  0.00           H  
HETATM   62  H   UNL     1       2.811  -2.731   1.558  1.00  0.00           H  
HETATM   63  H   UNL     1       4.711  -3.357   2.338  1.00  0.00           H  
HETATM   64  H   UNL     1       6.389  -1.690   3.077  1.00  0.00           H  
HETATM   65  H   UNL     1       7.175  -3.199   2.554  1.00  0.00           H  
HETATM   66  H   UNL     1       7.177  -1.776   1.484  1.00  0.00           H  
HETATM   67  H   UNL     1       6.140  -3.146  -0.352  1.00  0.00           H  
HETATM   68  H   UNL     1       7.183  -4.472   1.199  1.00  0.00           H  
HETATM   69  H   UNL     1       3.755  -4.846   0.519  1.00  0.00           H  
HETATM   70  H   UNL     1       5.136  -5.720  -1.237  1.00  0.00           H  
HETATM   71  H   UNL     1       2.635  -4.606  -2.291  1.00  0.00           H  
HETATM   72  H   UNL     1       3.459  -6.085  -2.841  1.00  0.00           H  
HETATM   73  H   UNL     1       2.734  -6.021  -1.217  1.00  0.00           H  
HETATM   74  H   UNL     1       6.102  -3.682  -2.011  1.00  0.00           H  
HETATM   75  H   UNL     1       5.355  -4.607  -3.335  1.00  0.00           H  
HETATM   76  H   UNL     1       4.499  -3.215  -2.629  1.00  0.00           H  
HETATM   77  H   UNL     1       2.395  -3.317  -0.823  1.00  0.00           H  
HETATM   78  H   UNL     1       3.841  -2.390  -1.296  1.00  0.00           H  
HETATM   79  H   UNL     1       2.128   3.242  -1.107  1.00  0.00           H  
HETATM   80  H   UNL     1       5.474   3.649  -1.869  1.00  0.00           H  
HETATM   81  H   UNL     1       3.519   5.504  -2.150  1.00  0.00           H  
HETATM   82  H   UNL     1       3.756   4.175  -3.309  1.00  0.00           H  
HETATM   83  H   UNL     1       2.513   4.040  -2.043  1.00  0.00           H  
HETATM   84  H   UNL     1       5.468   4.238   0.550  1.00  0.00           H  
HETATM   85  H   UNL     1       6.105   5.781  -1.021  1.00  0.00           H  
HETATM   86  H   UNL     1       2.338   5.143  -1.127  1.00  0.00           H  
HETATM   87  H   UNL     1       1.407   6.441   1.336  1.00  0.00           H  
HETATM   88  H   UNL     1       0.548   6.434  -0.223  1.00  0.00           H  
HETATM   89  H   UNL     1       0.786   4.912   0.668  1.00  0.00           H  
HETATM   90  H   UNL     1       3.862   6.829  -1.381  1.00  0.00           H  
HETATM   91  H   UNL     1       2.325   7.636  -0.987  1.00  0.00           H  
HETATM   92  H   UNL     1       3.554   7.397   0.278  1.00  0.00           H  
HETATM   93  H   UNL     1       4.338   5.137   2.523  1.00  0.00           H  
HETATM   94  H   UNL     1       4.084   6.667   1.650  1.00  0.00           H  
HETATM   95  H   UNL     1       2.704   5.830   2.401  1.00  0.00           H  
HETATM   96  H   UNL     1       1.812   3.676   1.322  1.00  0.00           H  
HETATM   97  H   UNL     1       3.442   3.031   1.641  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.990  -0.127  -1.913  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.220   1.372  -2.485  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.509  -0.207  -2.896  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.514   0.817   1.337  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.869   1.279  -0.335  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.899   2.960   2.139  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.609   3.151   0.700  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.403   1.902   1.951  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.240   3.623   2.376  1.00  0.00           H  
CONECT    1    2    7    7   21                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   55                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    1    1    5    8                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   56   57   58                                       
CONECT   10    8    8   11   59                                       
CONECT   11   10   12   21   21                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   15   20                                       
CONECT   15   14   14   16   24                                       
CONECT   16   15   17   17   60                                       
CONECT   17   16   16   18   35                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   61                                                 
CONECT   20   14   18   18   22                                       
CONECT   21    1   11   11   22                                       
CONECT   22   20   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   15   25   34   62                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   28   63                                       
CONECT   27   26   64   65   66                                       
CONECT   28   26   29   30   67                                       
CONECT   29   28   68                                                 
CONECT   30   28   31   34   69                                       
CONECT   31   30   32   33   70                                       
CONECT   32   31   71   72   73                                       
CONECT   33   31   74   75   76                                       
CONECT   34   24   30   77   78                                       
CONECT   35   17   36   46   79                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   39   80                                       
CONECT   38   37   81   82   83                                       
CONECT   39   37   40   41   84                                       
CONECT   40   39   85                                                 
CONECT   41   39   42   45   46                                       
CONECT   42   41   43   44   86                                       
CONECT   43   42   87   88   89                                       
CONECT   44   42   90   91   92                                       
CONECT   45   41   93   94   95                                       
CONECT   46   35   41   96   97                                       
CONECT   47    3   48   49   50                                       
CONECT   48   47   50                                                 
CONECT   49   47   98   99  100                                       
CONECT   50   47   48   51  101                                       
CONECT   51   50   52   53  102                                       
CONECT   52   51   53                                                 
CONECT   53   51   52   54  103                                       
CONECT   54   53  104  105  106                                       
CONECT   55    4                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   16                                                      
CONECT   61   19                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   53                                                      
CONECT  104   54                                                      
CONECT  105   54                                                      
CONECT  106   54                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
