COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.546  -4.581  -0.287  1.00  0.00           C  
HETATM    2  N   UNL     1      16.774  -5.054  -0.275  1.00  0.00           N  
HETATM    3  C   UNL     1      16.735  -6.379  -0.397  1.00  0.00           C  
HETATM    4  C   UNL     1      15.438  -6.762  -0.484  1.00  0.00           C  
HETATM    5  N   UNL     1      14.683  -5.634  -0.412  1.00  0.00           N  
HETATM    6  C   UNL     1      13.220  -5.559  -0.464  1.00  0.00           C  
HETATM    7  C   UNL     1      15.166  -3.162  -0.175  1.00  0.00           C  
HETATM    8  O   UNL     1      13.993  -2.843  -0.199  1.00  0.00           O  
HETATM    9  N   UNL     1      16.119  -2.217  -0.045  1.00  0.00           N  
HETATM   10  C   UNL     1      14.548   1.016   0.177  1.00  0.00           C  
HETATM   11  C   UNL     1      14.450  -0.353   0.043  1.00  0.00           C  
HETATM   12  C   UNL     1      15.756  -0.863   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1      16.609   0.187   0.196  1.00  0.00           C  
HETATM   14  N   UNL     1      15.884   1.333   0.267  1.00  0.00           N  
HETATM   15  C   UNL     1      16.433   2.683   0.414  1.00  0.00           C  
HETATM   16  C   UNL     1      13.429   1.964   0.211  1.00  0.00           C  
HETATM   17  O   UNL     1      13.647   3.162   0.229  1.00  0.00           O  
HETATM   18  N   UNL     1      12.161   1.510   0.223  1.00  0.00           N  
HETATM   19  C   UNL     1      11.043   2.454   0.144  1.00  0.00           C  
HETATM   20  C   UNL     1       9.722   1.684   0.177  1.00  0.00           C  
HETATM   21  C   UNL     1       8.572   2.655   0.095  1.00  0.00           C  
HETATM   22  O   UNL     1       8.789   3.846   0.018  1.00  0.00           O  
HETATM   23  N   UNL     1       7.304   2.200   0.107  1.00  0.00           N  
HETATM   24  C   UNL     1       4.220   3.886  -0.052  1.00  0.00           C  
HETATM   25  N   UNL     1       4.939   2.785   0.028  1.00  0.00           N  
HETATM   26  C   UNL     1       6.233   3.105   0.031  1.00  0.00           C  
HETATM   27  C   UNL     1       6.338   4.460  -0.059  1.00  0.00           C  
HETATM   28  N   UNL     1       5.071   4.954  -0.111  1.00  0.00           N  
HETATM   29  C   UNL     1       4.691   6.365  -0.212  1.00  0.00           C  
HETATM   30  C   UNL     1       2.749   3.955  -0.079  1.00  0.00           C  
HETATM   31  O   UNL     1       2.192   5.033  -0.160  1.00  0.00           O  
HETATM   32  N   UNL     1       2.021   2.823  -0.014  1.00  0.00           N  
HETATM   33  C   UNL     1       0.557   2.891  -0.040  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.021   1.477   0.046  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.526   1.547   0.019  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.082   2.622  -0.062  1.00  0.00           O  
HETATM   37  N   UNL     1      -2.254   0.415   0.084  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.730  -0.125   0.068  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.488  -0.561   0.110  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.656   0.480   0.059  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.400   1.617  -0.029  1.00  0.00           C  
HETATM   42  N   UNL     1      -5.708   1.238  -0.023  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.872   2.124  -0.101  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.939  -0.966   0.107  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.040  -0.451   0.055  1.00  0.00           O  
HETATM   46  N   UNL     1      -6.826  -2.306   0.198  1.00  0.00           N  
HETATM   47  C   UNL     1     -10.118  -3.765   0.247  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.305  -2.653   0.191  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.980  -3.108   0.235  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.010  -4.464   0.326  1.00  0.00           C  
HETATM   51  N   UNL     1      -9.306  -4.873   0.334  1.00  0.00           N  
HETATM   52  C   UNL     1      -9.763  -6.262   0.421  1.00  0.00           C  
HETATM   53  C   UNL     1     -11.585  -3.767   0.225  1.00  0.00           C  
HETATM   54  O   UNL     1     -12.194  -4.808   0.386  1.00  0.00           O  
HETATM   55  N   UNL     1     -12.257  -2.617   0.027  1.00  0.00           N  
HETATM   56  C   UNL     1     -13.719  -2.598   0.117  1.00  0.00           C  
HETATM   57  C   UNL     1     -14.229  -1.179  -0.148  1.00  0.00           C  
HETATM   58  C   UNL     1     -15.733  -1.160  -0.055  1.00  0.00           C  
HETATM   59  O   UNL     1     -16.338  -2.180   0.198  1.00  0.00           O  
HETATM   60  N   UNL     1     -16.405  -0.009  -0.253  1.00  0.00           N  
HETATM   61  C   UNL     1     -17.867   0.010  -0.163  1.00  0.00           C  
HETATM   62  C   UNL     1     -18.376   1.428  -0.428  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.903   1.448  -0.334  1.00  0.00           C  
HETATM   64  N   UNL     1     -20.392   2.809  -0.588  1.00  0.00           N1+
HETATM   65  C   UNL     1     -21.861   2.805  -0.616  1.00  0.00           C  
HETATM   66  C   UNL     1     -19.925   3.705   0.479  1.00  0.00           C  
HETATM   67  H   UNL     1      17.591  -7.036  -0.422  1.00  0.00           H  
HETATM   68  H   UNL     1      15.073  -7.773  -0.591  1.00  0.00           H  
HETATM   69  H   UNL     1      12.817  -5.634   0.546  1.00  0.00           H  
HETATM   70  H   UNL     1      12.920  -4.609  -0.906  1.00  0.00           H  
HETATM   71  H   UNL     1      12.836  -6.380  -1.070  1.00  0.00           H  
HETATM   72  H   UNL     1      17.055  -2.472  -0.026  1.00  0.00           H  
HETATM   73  H   UNL     1      13.539  -0.925  -0.053  1.00  0.00           H  
HETATM   74  H   UNL     1      17.687   0.120   0.240  1.00  0.00           H  
HETATM   75  H   UNL     1      16.681   3.084  -0.569  1.00  0.00           H  
HETATM   76  H   UNL     1      15.694   3.326   0.893  1.00  0.00           H  
HETATM   77  H   UNL     1      17.333   2.644   1.028  1.00  0.00           H  
HETATM   78  H   UNL     1      11.987   0.557   0.285  1.00  0.00           H  
HETATM   79  H   UNL     1      11.086   3.139   0.991  1.00  0.00           H  
HETATM   80  H   UNL     1      11.111   3.020  -0.785  1.00  0.00           H  
HETATM   81  H   UNL     1       9.679   0.999  -0.670  1.00  0.00           H  
HETATM   82  H   UNL     1       9.654   1.118   1.106  1.00  0.00           H  
HETATM   83  H   UNL     1       7.130   1.248   0.169  1.00  0.00           H  
HETATM   84  H   UNL     1       7.253   5.033  -0.083  1.00  0.00           H  
HETATM   85  H   UNL     1       4.612   6.646  -1.262  1.00  0.00           H  
HETATM   86  H   UNL     1       3.729   6.518   0.278  1.00  0.00           H  
HETATM   87  H   UNL     1       5.448   6.981   0.273  1.00  0.00           H  
HETATM   88  H   UNL     1       2.465   1.963   0.051  1.00  0.00           H  
HETATM   89  H   UNL     1       0.206   3.480   0.807  1.00  0.00           H  
HETATM   90  H   UNL     1       0.232   3.360  -0.969  1.00  0.00           H  
HETATM   91  H   UNL     1       0.331   0.888  -0.801  1.00  0.00           H  
HETATM   92  H   UNL     1       0.304   1.008   0.975  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.810  -0.445   0.149  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.025   2.628  -0.091  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.145   2.275  -1.145  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.709   1.672   0.432  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.628   3.084   0.354  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.948  -2.716   0.239  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.628  -1.625   0.118  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.147  -5.111   0.382  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.825  -6.559   1.468  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.746  -6.351  -0.041  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.057  -6.910  -0.099  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.773  -1.801  -0.176  1.00  0.00           H  
HETATM  105  H   UNL     1     -14.138  -3.278  -0.624  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.026  -2.913   1.114  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.810  -0.499   0.593  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.922  -0.864  -1.145  1.00  0.00           H  
HETATM  109  H   UNL     1     -15.921   0.807  -0.456  1.00  0.00           H  
HETATM  110  H   UNL     1     -18.286  -0.671  -0.904  1.00  0.00           H  
HETATM  111  H   UNL     1     -18.174  -0.306   0.834  1.00  0.00           H  
HETATM  112  H   UNL     1     -17.958   2.109   0.313  1.00  0.00           H  
HETATM  113  H   UNL     1     -18.070   1.744  -1.425  1.00  0.00           H  
HETATM  114  H   UNL     1     -20.322   0.767  -1.075  1.00  0.00           H  
HETATM  115  H   UNL     1     -20.210   1.132   0.663  1.00  0.00           H  
HETATM  116  H   UNL     1     -20.040   3.133  -1.477  1.00  0.00           H  
HETATM  117  H   UNL     1     -22.242   2.456   0.343  1.00  0.00           H  
HETATM  118  H   UNL     1     -22.224   3.816  -0.805  1.00  0.00           H  
HETATM  119  H   UNL     1     -22.207   2.141  -1.408  1.00  0.00           H  
HETATM  120  H   UNL     1     -18.836   3.708   0.500  1.00  0.00           H  
HETATM  121  H   UNL     1     -20.288   4.715   0.290  1.00  0.00           H  
HETATM  122  H   UNL     1     -20.306   3.355   1.439  1.00  0.00           H  
CONECT    1    2    2    5    7                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   67                                       
CONECT    4    3    3    5   68                                       
CONECT    5    1    4    6                                            
CONECT    6    5   69   70   71                                       
CONECT    7    1    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   12   72                                            
CONECT   10   11   11   14   16                                       
CONECT   11   10   10   12   73                                       
CONECT   12    9   11   13   13                                       
CONECT   13   12   12   14   74                                       
CONECT   14   10   13   15                                            
CONECT   15   14   75   76   77                                       
CONECT   16   10   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   78                                            
CONECT   19   18   20   79   80                                       
CONECT   20   19   21   81   82                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   26   83                                            
CONECT   24   25   25   28   30                                       
CONECT   25   24   24   26                                            
CONECT   26   23   25   27   27                                       
CONECT   27   26   26   28   84                                       
CONECT   28   24   27   29                                            
CONECT   29   28   85   86   87                                       
CONECT   30   24   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   88                                            
CONECT   33   32   34   89   90                                       
CONECT   34   33   35   91   92                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   40   93                                            
CONECT   38   39   39   42   44                                       
CONECT   39   38   38   40                                            
CONECT   40   37   39   41   41                                       
CONECT   41   40   40   42   94                                       
CONECT   42   38   41   43                                            
CONECT   43   42   95   96   97                                       
CONECT   44   38   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   49   98                                            
CONECT   47   48   48   51   53                                       
CONECT   48   47   47   49   99                                       
CONECT   49   46   48   50   50                                       
CONECT   50   49   49   51  100                                       
CONECT   51   47   50   52                                            
CONECT   52   51  101  102  103                                       
CONECT   53   47   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   56  104                                            
CONECT   56   55   57  105  106                                       
CONECT   57   56   58  107  108                                       
CONECT   58   57   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58   61  109                                            
CONECT   61   60   62  110  111                                       
CONECT   62   61   63  112  113                                       
CONECT   63   62   64  114  115                                       
CONECT   64   63   65   66  116                                       
CONECT   65   64  117  118  119                                       
CONECT   66   64  120  121  122                                       
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    6                                                      
CONECT   70    6                                                      
CONECT   71    6                                                      
CONECT   72    9                                                      
CONECT   73   11                                                      
CONECT   74   13                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   23                                                      
CONECT   84   27                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   37                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   46                                                      
CONECT   99   48                                                      
CONECT  100   50                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   56                                                      
CONECT  107   57                                                      
CONECT  108   57                                                      
CONECT  109   60                                                      
CONECT  110   61                                                      
CONECT  111   61                                                      
CONECT  112   62                                                      
CONECT  113   62                                                      
CONECT  114   63                                                      
CONECT  115   63                                                      
CONECT  116   64                                                      
CONECT  117   65                                                      
CONECT  118   65                                                      
CONECT  119   65                                                      
CONECT  120   66                                                      
CONECT  121   66                                                      
CONECT  122   66                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
