COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.804   2.908  -1.170  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.119   0.919   0.128  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.891   2.345   0.858  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.060   3.792  -1.010  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.677   4.704   0.375  1.00  0.00           N  
HETATM    6  O   UNL     1      -6.750   5.159  -1.290  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.456   3.617   0.473  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.150  -1.262   0.037  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.677   3.699  -1.552  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.589   2.303   0.235  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.518  -0.887  -0.333  1.00  0.00           N  
HETATM   12  O   UNL     1      -9.516   2.566   0.947  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.956   3.590   0.615  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.651   1.132  -0.141  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.236   2.388  -0.363  1.00  0.00           O  
HETATM   16  C   UNL     1     -11.135   4.677   0.514  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.619  -2.970  -0.311  1.00  0.00           N  
HETATM   18  O   UNL     1       5.727  -0.953  -1.163  1.00  0.00           O  
HETATM   19  C   UNL     1     -11.703   6.059   0.186  1.00  0.00           C  
HETATM   20  N   UNL     1       0.904   0.494  -0.565  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.894  -0.200   0.166  1.00  0.00           C  
HETATM   22  N   UNL     1       4.586   0.942  -0.961  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.855  -0.894  -0.084  1.00  0.00           C  
HETATM   24  N   UNL     1       6.906   0.928  -1.222  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.818   0.513  -0.034  1.00  0.00           C  
HETATM   26  N   UNL     1       9.996   1.846   0.097  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.641  -1.588  -0.246  1.00  0.00           C  
HETATM   28  N   UNL     1      10.281   4.156   0.400  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.533   0.441  -0.293  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.346  -3.675  -0.479  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.600  -5.184  -0.521  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.309  -5.903  -0.817  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.136  -5.640   0.811  1.00  0.00           C  
HETATM   34  C   UNL     1       0.816  -5.643  -0.057  1.00  0.00           C  
HETATM   35  C   UNL     1       2.000  -6.303  -0.328  1.00  0.00           C  
HETATM   36  C   UNL     1       2.059  -7.222  -1.359  1.00  0.00           C  
HETATM   37  C   UNL     1       0.934  -7.482  -2.118  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.251  -6.826  -1.844  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.300  -6.383   0.870  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.792  -6.801   2.093  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.119  -6.476   3.256  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.955  -5.733   3.197  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.460  -5.320   1.974  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.249   1.174  -0.409  1.00  0.00           C  
HETATM   45  C   UNL     1       2.172   1.218  -0.679  1.00  0.00           C  
HETATM   46  C   UNL     1       3.318   0.218  -0.846  1.00  0.00           C  
HETATM   47  C   UNL     1       5.739   0.262  -1.117  1.00  0.00           C  
HETATM   48  C   UNL     1       8.159   0.188  -1.391  1.00  0.00           C  
HETATM   49  C   UNL     1       8.698  -0.227  -0.019  1.00  0.00           C  
HETATM   50  C   UNL     1       9.005   1.026   0.803  1.00  0.00           C  
HETATM   51  C   UNL     1       9.483   2.297  -1.204  1.00  0.00           C  
HETATM   52  C   UNL     1       9.190   1.081  -2.086  1.00  0.00           C  
HETATM   53  C   UNL     1      10.913   2.704   2.148  1.00  0.00           C  
HETATM   54  C   UNL     1      11.307   3.788   2.912  1.00  0.00           C  
HETATM   55  C   UNL     1      11.170   5.062   2.376  1.00  0.00           C  
HETATM   56  C   UNL     1      10.648   5.209   1.107  1.00  0.00           C  
HETATM   57  C   UNL     1      10.396   2.926   0.875  1.00  0.00           C  
HETATM   58  H   UNL     1      -5.982   2.120  -1.902  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.860   3.442  -1.663  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.229   5.523   0.110  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.503   5.759  -1.205  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.031   4.419   1.076  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.758   4.103  -2.427  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.878   2.903   0.802  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.552   3.941  -0.173  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.397   4.410   1.537  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.446  -3.472  -0.246  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.286   6.796   0.873  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.441   6.327  -0.837  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.788   6.040   0.289  1.00  0.00           H  
HETATM   71  H   UNL     1       0.894  -0.475  -0.601  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.967  -0.206   0.285  1.00  0.00           H  
HETATM   73  H   UNL     1       4.596   1.911  -0.924  1.00  0.00           H  
HETATM   74  H   UNL     1       6.916   1.897  -1.185  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.876  -3.360  -1.411  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.687  -3.441   0.357  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.328  -5.408  -1.301  1.00  0.00           H  
HETATM   78  H   UNL     1       0.770  -4.925   0.748  1.00  0.00           H  
HETATM   79  H   UNL     1       2.880  -6.100   0.266  1.00  0.00           H  
HETATM   80  H   UNL     1       2.985  -7.737  -1.571  1.00  0.00           H  
HETATM   81  H   UNL     1       0.980  -8.200  -2.924  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.132  -7.032  -2.435  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.826  -6.636  -0.038  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.701  -7.381   2.139  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.503  -6.803   4.211  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.429  -5.479   4.106  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.550  -4.740   1.928  1.00  0.00           H  
HETATM   88  H   UNL     1       2.137   1.878  -1.546  1.00  0.00           H  
HETATM   89  H   UNL     1       2.336   1.809   0.222  1.00  0.00           H  
HETATM   90  H   UNL     1       3.155  -0.374  -1.747  1.00  0.00           H  
HETATM   91  H   UNL     1       3.353  -0.443   0.020  1.00  0.00           H  
HETATM   92  H   UNL     1       7.979  -0.700  -1.997  1.00  0.00           H  
HETATM   93  H   UNL     1       7.950  -0.828   0.498  1.00  0.00           H  
HETATM   94  H   UNL     1       9.609  -0.811  -0.148  1.00  0.00           H  
HETATM   95  H   UNL     1       9.402   0.734   1.776  1.00  0.00           H  
HETATM   96  H   UNL     1       8.090   1.602   0.943  1.00  0.00           H  
HETATM   97  H   UNL     1       8.566   2.867  -1.054  1.00  0.00           H  
HETATM   98  H   UNL     1      10.228   2.927  -1.689  1.00  0.00           H  
HETATM   99  H   UNL     1      10.110   0.518  -2.247  1.00  0.00           H  
HETATM  100  H   UNL     1       8.795   1.415  -3.046  1.00  0.00           H  
HETATM  101  H   UNL     1      11.006   1.700   2.533  1.00  0.00           H  
HETATM  102  H   UNL     1      11.712   3.647   3.903  1.00  0.00           H  
HETATM  103  H   UNL     1      11.467   5.929   2.947  1.00  0.00           H  
HETATM  104  H   UNL     1      10.540   6.198   0.686  1.00  0.00           H  
CONECT    1    4    9   10   58                                       
CONECT    2   10   21   25                                            
CONECT    3    7   10                                                 
CONECT    4    1    6    7   59                                       
CONECT    5   16   13   60                                            
CONECT    6    4   61                                                 
CONECT    7    3    4   13   62                                       
CONECT    8   21   21   23                                            
CONECT    9    1   63                                                 
CONECT   10    1    2    3   64                                       
CONECT   11   29   27   27                                            
CONECT   12   13   13                                                 
CONECT   13    5    7   12   12                                       
CONECT   14   25   29   29                                            
CONECT   15   44   44                                                 
CONECT   16    5   19   65   66                                       
CONECT   17   27   30   67                                            
CONECT   18   47   47                                                 
CONECT   19   16   68   69   70                                       
CONECT   20   44   45   71                                            
CONECT   21    2    8    8   72                                       
CONECT   22   46   47   73                                            
CONECT   23    8   25   25   27                                       
CONECT   24   47   48   74                                            
CONECT   25    2   14   23   23                                       
CONECT   26   50   57   51                                            
CONECT   27   11   11   17   23                                       
CONECT   28   57   57   56                                            
CONECT   29   11   14   14   44                                       
CONECT   30   17   31   75   76                                       
CONECT   31   30   33   32   77                                       
CONECT   32   31   34   34   38                                       
CONECT   33   31   43   43   39                                       
CONECT   34   32   32   35   78                                       
CONECT   35   34   36   36   79                                       
CONECT   36   35   35   37   80                                       
CONECT   37   36   38   38   81                                       
CONECT   38   32   37   37   82                                       
CONECT   39   33   40   40   83                                       
CONECT   40   39   39   41   84                                       
CONECT   41   40   42   42   85                                       
CONECT   42   41   41   43   86                                       
CONECT   43   33   33   42   87                                       
CONECT   44   15   15   20   29                                       
CONECT   45   20   46   88   89                                       
CONECT   46   22   45   90   91                                       
CONECT   47   18   18   22   24                                       
CONECT   48   24   49   52   92                                       
CONECT   49   48   50   93   94                                       
CONECT   50   26   49   95   96                                       
CONECT   51   26   52   97   98                                       
CONECT   52   48   51   99  100                                       
CONECT   53   54   54   57  101                                       
CONECT   54   53   53   55  102                                       
CONECT   55   54   56   56  103                                       
CONECT   56   28   55   55  104                                       
CONECT   57   26   28   28   53                                       
CONECT   58    1                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   49                                                      
CONECT   95   50                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   55                                                      
CONECT  104   56                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
