COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.509  -0.051   0.863  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.187  -1.225   1.164  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.510  -2.423   1.275  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.131  -2.485   1.092  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.963  -1.329   0.616  1.00  0.00           C  
HETATM    6  C   UNL     1       1.007  -0.269  -0.216  1.00  0.00           C  
HETATM    7  C   UNL     1       3.177   0.860  -0.519  1.00  0.00           C  
HETATM    8  C   UNL     1       3.853   2.195  -0.808  1.00  0.00           C  
HETATM    9  C   UNL     1       3.148   3.288   0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       1.744   3.478  -0.567  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.288   2.184  -0.458  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.356   1.107   0.322  1.00  0.00           C  
HETATM   13  C   UNL     1       3.930   4.598  -0.113  1.00  0.00           C  
HETATM   14  C   UNL     1       0.973   4.422   0.319  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.624   6.214   0.632  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.125  -0.099   0.665  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.429  -1.322   0.791  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.326  -0.243  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1       1.711   0.868  -0.920  1.00  0.00           C  
HETATM   20  C   UNL     1       1.016   2.160  -0.639  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.119   0.936  -0.533  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.090  -2.121   2.527  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.840  -0.827  -2.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.785  -0.462  -3.449  1.00  0.00           C  
HETATM   25  C   UNL     1       6.032  -0.540   2.014  1.00  0.00           C  
HETATM   26  C   UNL     1       9.571  -0.241  -0.539  1.00  0.00           C  
HETATM   27  C   UNL     1       7.181  -3.486   1.791  1.00  0.00           C  
HETATM   28  C   UNL     1       7.491  -3.456  -0.874  1.00  0.00           C  
HETATM   29  C   UNL     1       4.070  -2.641  -2.599  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.532   0.970   0.640  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.995   0.627  -0.762  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.756  -0.840  -1.081  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.341  -1.682   0.063  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.684  -1.207   1.369  1.00  0.00           C  
HETATM   35  C   UNL     1       4.906  -0.644  -0.406  1.00  0.00           C  
HETATM   36  C   UNL     1       5.587  -1.841  -1.075  1.00  0.00           C  
HETATM   37  C   UNL     1       6.696  -2.366  -0.152  1.00  0.00           C  
HETATM   38  C   UNL     1       7.625  -1.200   0.206  1.00  0.00           C  
HETATM   39  C   UNL     1       6.790  -0.052   0.777  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.420  -1.192  -2.343  1.00  0.00           N1+
HETATM   41  O   UNL     1      -5.143   1.137   0.760  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.099   0.134   1.629  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.478  -3.670   1.204  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.303  -2.263   1.033  1.00  0.00           O  
HETATM   45  O   UNL     1       1.722  -1.323   0.225  1.00  0.00           O  
HETATM   46  O   UNL     1       3.852  -0.169  -1.246  1.00  0.00           O  
HETATM   47  O   UNL     1       3.064   2.895   1.372  1.00  0.00           O  
HETATM   48  O   UNL     1       0.118   5.304  -0.222  1.00  0.00           O  
HETATM   49  O   UNL     1       1.124   4.385   1.518  1.00  0.00           O  
HETATM   50  O   UNL     1      -2.701   2.202   0.713  1.00  0.00           O  
HETATM   51  O   UNL     1      -6.275   1.434  -1.695  1.00  0.00           O  
HETATM   52  O   UNL     1      -7.051  -3.064  -0.152  1.00  0.00           O  
HETATM   53  O   UNL     1       5.856   0.400  -0.202  1.00  0.00           O  
HETATM   54  O   UNL     1       4.625  -2.872  -1.303  1.00  0.00           O  
HETATM   55  O   UNL     1       6.116  -2.901   1.039  1.00  0.00           O  
HETATM   56  O   UNL     1       8.309  -0.756  -0.967  1.00  0.00           O  
HETATM   57  H   UNL     1      -5.057  -3.325   1.508  1.00  0.00           H  
HETATM   58  H   UNL     1       3.252   0.648   0.547  1.00  0.00           H  
HETATM   59  H   UNL     1       4.902   2.143  -0.516  1.00  0.00           H  
HETATM   60  H   UNL     1       3.777   2.420  -1.871  1.00  0.00           H  
HETATM   61  H   UNL     1       1.815   3.903  -1.568  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.773   3.126  -0.249  1.00  0.00           H  
HETATM   63  H   UNL     1       3.984   4.900  -1.159  1.00  0.00           H  
HETATM   64  H   UNL     1       3.426   5.374   0.463  1.00  0.00           H  
HETATM   65  H   UNL     1       4.938   4.454   0.276  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.262   6.850   0.018  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.241   5.641   1.324  1.00  0.00           H  
HETATM   68  H   UNL     1       0.073   6.834   1.195  1.00  0.00           H  
HETATM   69  H   UNL     1       1.654   0.686  -1.993  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.415   0.760  -1.567  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.174  -2.099   2.644  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.768  -3.141   2.316  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.618  -1.774   3.446  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.936   0.259  -2.236  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.362  -1.212  -3.144  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.278  -1.256  -1.367  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.702  -0.568  -3.381  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.130  -0.871  -4.399  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.051   0.593  -3.389  1.00  0.00           H  
HETATM   80  H   UNL     1       6.745  -0.869   2.770  1.00  0.00           H  
HETATM   81  H   UNL     1       5.427   0.273   2.413  1.00  0.00           H  
HETATM   82  H   UNL     1       5.385  -1.373   1.738  1.00  0.00           H  
HETATM   83  H   UNL     1      10.132   0.112  -1.405  1.00  0.00           H  
HETATM   84  H   UNL     1       9.411   0.587   0.151  1.00  0.00           H  
HETATM   85  H   UNL     1      10.134  -1.028  -0.038  1.00  0.00           H  
HETATM   86  H   UNL     1       7.892  -2.711   2.077  1.00  0.00           H  
HETATM   87  H   UNL     1       6.777  -3.958   2.686  1.00  0.00           H  
HETATM   88  H   UNL     1       7.686  -4.236   1.181  1.00  0.00           H  
HETATM   89  H   UNL     1       7.796  -3.093  -1.856  1.00  0.00           H  
HETATM   90  H   UNL     1       8.375  -3.708  -0.289  1.00  0.00           H  
HETATM   91  H   UNL     1       6.868  -4.342  -0.992  1.00  0.00           H  
HETATM   92  H   UNL     1       3.327  -3.407  -2.819  1.00  0.00           H  
HETATM   93  H   UNL     1       3.597  -1.659  -2.622  1.00  0.00           H  
HETATM   94  H   UNL     1       4.863  -2.679  -3.346  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.950   1.957   0.837  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.060   0.843  -0.847  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.685  -1.029  -1.164  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.420  -1.535   0.116  1.00  0.00           H  
HETATM   99  H   UNL     1       4.493  -0.952   0.554  1.00  0.00           H  
HETATM  100  H   UNL     1       6.020  -1.530  -2.025  1.00  0.00           H  
HETATM  101  H   UNL     1       8.351  -1.528   0.950  1.00  0.00           H  
HETATM  102  H   UNL     1       7.448   0.770   1.057  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.335  -2.184  -2.503  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.471  -4.070   0.324  1.00  0.00           H  
HETATM  105  H   UNL     1       1.931  -2.051  -0.377  1.00  0.00           H  
HETATM  106  H   UNL     1       3.971   2.772   1.683  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.451   2.356  -1.461  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.411  -3.547   0.604  1.00  0.00           H  
CONECT    1    2    2   16   41                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   57                                       
CONECT    4    3    3   17   43                                       
CONECT    5   17   18   44   44                                       
CONECT    6   18   18   19   45                                       
CONECT    7    8   19   46   58                                       
CONECT    8    7    9   59   60                                       
CONECT    9    8   10   13   47                                       
CONECT   10    9   14   20   61                                       
CONECT   11   20   20   21   62                                       
CONECT   12   16   21   50   50                                       
CONECT   13    9   63   64   65                                       
CONECT   14   10   48   49   49                                       
CONECT   15   48   66   67   68                                       
CONECT   16    1   12   17   17                                       
CONECT   17    4    5   16   16                                       
CONECT   18    5    6    6   21                                       
CONECT   19    6    7   20   69                                       
CONECT   20   10   11   11   19                                       
CONECT   21   11   12   18   70                                       
CONECT   22   34   71   72   73                                       
CONECT   23   40   74   75   76                                       
CONECT   24   40   77   78   79                                       
CONECT   25   39   80   81   82                                       
CONECT   26   56   83   84   85                                       
CONECT   27   55   86   87   88                                       
CONECT   28   37   89   90   91                                       
CONECT   29   54   92   93   94                                       
CONECT   30   31   41   42   95                                       
CONECT   31   30   32   51   96                                       
CONECT   32   31   33   40   97                                       
CONECT   33   32   34   52   98                                       
CONECT   34    2   22   33   42                                       
CONECT   35   36   46   53   99                                       
CONECT   36   35   37   54  100                                       
CONECT   37   28   36   38   55                                       
CONECT   38   37   39   56  101                                       
CONECT   39   25   38   53  102                                       
CONECT   40   23   24   32  103                                       
CONECT   41    1   30                                                 
CONECT   42   30   34                                                 
CONECT   43    4  104                                                 
CONECT   44    5    5                                                 
CONECT   45    6  105                                                 
CONECT   46    7   35                                                 
CONECT   47    9  106                                                 
CONECT   48   14   15                                                 
CONECT   49   14   14                                                 
CONECT   50   12   12                                                 
CONECT   51   31  107                                                 
CONECT   52   33  108                                                 
CONECT   53   35   39                                                 
CONECT   54   29   36                                                 
CONECT   55   27   37                                                 
CONECT   56   26   38                                                 
CONECT   57    3                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   43                                                      
CONECT  105   45                                                      
CONECT  106   47                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
