COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.695   3.468   4.829  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.160   2.389   2.454  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.438   2.945   4.325  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.302   2.865   2.987  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.209   3.223   2.262  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.012   2.302   0.999  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.003   1.235   0.659  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.141   0.940   1.459  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.061   0.609  -0.533  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.151  -0.503  -0.820  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.704  -0.016  -0.728  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.442   1.016  -1.828  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.548   0.386  -3.106  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.036   1.595  -1.659  1.00  0.00           C  
HETATM   15  C   UNL     1       0.225   2.626  -2.759  1.00  0.00           C  
HETATM   16  C   UNL     1       1.560   3.285  -2.522  1.00  0.00           C  
HETATM   17  C   UNL     1       2.705   2.745  -3.077  1.00  0.00           C  
HETATM   18  C   UNL     1       3.929   3.349  -2.860  1.00  0.00           C  
HETATM   19  C   UNL     1       4.008   4.494  -2.089  1.00  0.00           C  
HETATM   20  C   UNL     1       2.863   5.034  -1.535  1.00  0.00           C  
HETATM   21  C   UNL     1       1.638   4.432  -1.755  1.00  0.00           C  
HETATM   22  N   UNL     1       0.951   0.517  -1.756  1.00  0.00           N  
HETATM   23  C   UNL     1       2.155   0.650  -1.166  1.00  0.00           C  
HETATM   24  O   UNL     1       2.440   1.683  -0.597  1.00  0.00           O  
HETATM   25  C   UNL     1       3.147  -0.484  -1.212  1.00  0.00           C  
HETATM   26  N   UNL     1       4.421  -0.041  -0.640  1.00  0.00           N  
HETATM   27  C   UNL     1       4.597   0.539   0.607  1.00  0.00           C  
HETATM   28  C   UNL     1       5.891   0.798   0.758  1.00  0.00           C  
HETATM   29  N   UNL     1       6.547   0.384  -0.392  1.00  0.00           N  
HETATM   30  C   UNL     1       7.986   0.484  -0.646  1.00  0.00           C  
HETATM   31  C   UNL     1       8.670  -0.769  -0.161  1.00  0.00           C  
HETATM   32  C   UNL     1       8.917  -1.799  -1.048  1.00  0.00           C  
HETATM   33  C   UNL     1       9.546  -2.947  -0.591  1.00  0.00           C  
HETATM   34  C   UNL     1       9.905  -3.016   0.746  1.00  0.00           C  
HETATM   35  C   UNL     1       9.625  -1.945   1.574  1.00  0.00           C  
HETATM   36  N   UNL     1       9.030  -0.867   1.104  1.00  0.00           N  
HETATM   37  C   UNL     1      10.010  -2.009   3.030  1.00  0.00           C  
HETATM   38  C   UNL     1       9.595  -0.710   3.724  1.00  0.00           C  
HETATM   39  C   UNL     1       9.302  -3.191   3.693  1.00  0.00           C  
HETATM   40  O   UNL     1      11.425  -2.178   3.141  1.00  0.00           O  
HETATM   41  C   UNL     1       5.628  -0.132  -1.232  1.00  0.00           C  
HETATM   42  O   UNL     1       5.850  -0.597  -2.336  1.00  0.00           O  
HETATM   43  C   UNL     1       2.608  -1.666  -0.403  1.00  0.00           C  
HETATM   44  C   UNL     1       1.348  -2.213  -1.076  1.00  0.00           C  
HETATM   45  C   UNL     1       3.670  -2.765  -0.338  1.00  0.00           C  
HETATM   46  C   UNL     1       2.268  -1.201   1.015  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.378  -1.624   0.197  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.765  -2.187   0.023  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.975  -3.245  -0.843  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.242  -3.766  -1.006  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.312  -3.224  -0.296  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.095  -2.158   0.575  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.822  -1.649   0.734  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.677  -3.779  -0.467  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.740  -3.230   0.247  1.00  0.00           C  
HETATM   56  C   UNL     1     -11.008  -3.759   0.076  1.00  0.00           C  
HETATM   57  C   UNL     1     -11.171  -4.819  -0.804  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.071  -5.314  -1.480  1.00  0.00           C  
HETATM   59  N   UNL     1      -8.876  -4.790  -1.303  1.00  0.00           N  
HETATM   60  C   UNL     1      -4.532   3.649   0.454  1.00  0.00           C  
HETATM   61  C   UNL     1      -3.133   3.949   0.995  1.00  0.00           C  
HETATM   62  C   UNL     1      -4.486   3.593  -1.075  1.00  0.00           C  
HETATM   63  C   UNL     1      -5.498   4.751   0.895  1.00  0.00           C  
HETATM   64  H   UNL     1      -7.841   4.483   4.459  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.515   2.835   4.489  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.673   3.479   5.919  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.436   2.103   3.033  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.973   2.050   0.550  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.704   0.894  -1.201  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.344  -0.880  -1.825  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.536   0.442   0.247  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.027  -0.861  -0.854  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.177   1.818  -1.755  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.923  -0.339  -3.241  1.00  0.00           H  
HETATM   75  H   UNL     1       0.045   2.075  -0.684  1.00  0.00           H  
HETATM   76  H   UNL     1       0.232   2.129  -3.729  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.561   3.381  -2.743  1.00  0.00           H  
HETATM   78  H   UNL     1       2.644   1.851  -3.679  1.00  0.00           H  
HETATM   79  H   UNL     1       4.824   2.927  -3.292  1.00  0.00           H  
HETATM   80  H   UNL     1       4.965   4.965  -1.918  1.00  0.00           H  
HETATM   81  H   UNL     1       2.924   5.928  -0.932  1.00  0.00           H  
HETATM   82  H   UNL     1       0.743   4.857  -1.326  1.00  0.00           H  
HETATM   83  H   UNL     1       0.738  -0.293  -2.246  1.00  0.00           H  
HETATM   84  H   UNL     1       3.299  -0.791  -2.246  1.00  0.00           H  
HETATM   85  H   UNL     1       3.819   0.744   1.328  1.00  0.00           H  
HETATM   86  H   UNL     1       6.352   1.251   1.624  1.00  0.00           H  
HETATM   87  H   UNL     1       8.159   0.601  -1.716  1.00  0.00           H  
HETATM   88  H   UNL     1       8.389   1.346  -0.116  1.00  0.00           H  
HETATM   89  H   UNL     1       8.623  -1.712  -2.083  1.00  0.00           H  
HETATM   90  H   UNL     1       9.752  -3.769  -1.262  1.00  0.00           H  
HETATM   91  H   UNL     1      10.397  -3.895   1.136  1.00  0.00           H  
HETATM   92  H   UNL     1       8.517  -0.581   3.639  1.00  0.00           H  
HETATM   93  H   UNL     1       9.874  -0.756   4.777  1.00  0.00           H  
HETATM   94  H   UNL     1      10.100   0.132   3.251  1.00  0.00           H  
HETATM   95  H   UNL     1       9.597  -4.116   3.199  1.00  0.00           H  
HETATM   96  H   UNL     1       9.580  -3.237   4.746  1.00  0.00           H  
HETATM   97  H   UNL     1       8.223  -3.062   3.608  1.00  0.00           H  
HETATM   98  H   UNL     1      11.759  -2.982   2.722  1.00  0.00           H  
HETATM   99  H   UNL     1       1.594  -2.559  -2.080  1.00  0.00           H  
HETATM  100  H   UNL     1       0.955  -3.044  -0.491  1.00  0.00           H  
HETATM  101  H   UNL     1       0.597  -1.424  -1.138  1.00  0.00           H  
HETATM  102  H   UNL     1       4.568  -2.375   0.142  1.00  0.00           H  
HETATM  103  H   UNL     1       3.286  -3.607   0.238  1.00  0.00           H  
HETATM  104  H   UNL     1       3.912  -3.096  -1.348  1.00  0.00           H  
HETATM  105  H   UNL     1       1.521  -0.408   0.968  1.00  0.00           H  
HETATM  106  H   UNL     1       1.871  -2.040   1.587  1.00  0.00           H  
HETATM  107  H   UNL     1       3.168  -0.824   1.499  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.642  -2.412   0.039  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.272  -1.225   1.206  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.145  -3.664  -1.393  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.405  -4.592  -1.683  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.920  -1.734   1.128  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.651  -0.826   1.412  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.577  -2.405   0.924  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.852  -3.355   0.616  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.148  -5.253  -0.959  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.195  -6.139  -2.166  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.446   3.164   0.681  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.792   4.909   0.607  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.166   3.989   2.084  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.496   3.460  -1.464  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.069   4.524  -1.460  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.862   2.757  -1.389  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.530   4.790   1.984  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.156   5.710   0.507  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.494   4.537   0.509  1.00  0.00           H  
CONECT    1    3   64   65   66                                       
CONECT    2    4    6   67                                            
CONECT    3    1    4                                                 
CONECT    4    2    3    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    2    7   60   68                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   69                                            
CONECT   10    9   11   47   70                                       
CONECT   11   10   12   71   72                                       
CONECT   12   11   13   14   73                                       
CONECT   13   12   74                                                 
CONECT   14   12   15   22   75                                       
CONECT   15   14   16   76   77                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   78                                       
CONECT   18   17   19   19   79                                       
CONECT   19   18   18   20   80                                       
CONECT   20   19   21   21   81                                       
CONECT   21   16   20   20   82                                       
CONECT   22   14   23   83                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   43   84                                       
CONECT   26   25   27   41                                            
CONECT   27   26   28   28   85                                       
CONECT   28   27   27   29   86                                       
CONECT   29   28   30   41                                            
CONECT   30   29   31   87   88                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   89                                       
CONECT   33   32   34   34   90                                       
CONECT   34   33   33   35   91                                       
CONECT   35   34   36   36   37                                       
CONECT   36   31   35   35                                            
CONECT   37   35   38   39   40                                       
CONECT   38   37   92   93   94                                       
CONECT   39   37   95   96   97                                       
CONECT   40   37   98                                                 
CONECT   41   26   29   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   25   44   45   46                                       
CONECT   44   43   99  100  101                                       
CONECT   45   43  102  103  104                                       
CONECT   46   43  105  106  107                                       
CONECT   47   10   48  108  109                                       
CONECT   48   47   49   49   53                                       
CONECT   49   48   48   50  110                                       
CONECT   50   49   51   51  111                                       
CONECT   51   50   50   52   54                                       
CONECT   52   51   53   53  112                                       
CONECT   53   48   52   52  113                                       
CONECT   54   51   55   55   59                                       
CONECT   55   54   54   56  114                                       
CONECT   56   55   57   57  115                                       
CONECT   57   56   56   58  116                                       
CONECT   58   57   59   59  117                                       
CONECT   59   54   58   58                                            
CONECT   60    6   61   62   63                                       
CONECT   61   60  118  119  120                                       
CONECT   62   60  121  122  123                                       
CONECT   63   60  124  125  126                                       
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    6                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   46                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   52                                                      
CONECT  113   53                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   57                                                      
CONECT  117   58                                                      
CONECT  118   61                                                      
CONECT  119   61                                                      
CONECT  120   61                                                      
CONECT  121   62                                                      
CONECT  122   62                                                      
CONECT  123   62                                                      
CONECT  124   63                                                      
CONECT  125   63                                                      
CONECT  126   63                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
