COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.829  -1.062   0.575  1.00  0.00           C  
HETATM    2  O   UNL     1      11.736  -2.027   1.303  1.00  0.00           O  
HETATM    3  C   UNL     1      13.178  -0.639   0.053  1.00  0.00           C  
HETATM    4  N   UNL     1      10.725  -0.370   0.229  1.00  0.00           N  
HETATM    5  C   UNL     1       9.413  -0.785   0.732  1.00  0.00           C  
HETATM    6  C   UNL     1       8.340  -0.308  -0.211  1.00  0.00           C  
HETATM    7  O   UNL     1       8.641   0.317  -1.206  1.00  0.00           O  
HETATM    8  C   UNL     1       9.182  -0.176   2.117  1.00  0.00           C  
HETATM    9  O   UNL     1       9.112   1.247   2.006  1.00  0.00           O  
HETATM   10  C   UNL     1      10.339  -0.560   3.042  1.00  0.00           C  
HETATM   11  N   UNL     1       7.045  -0.576   0.050  1.00  0.00           N  
HETATM   12  C   UNL     1       6.001  -0.112  -0.867  1.00  0.00           C  
HETATM   13  C   UNL     1       4.701   0.029  -0.119  1.00  0.00           C  
HETATM   14  O   UNL     1       4.651  -0.232   1.064  1.00  0.00           O  
HETATM   15  C   UNL     1       5.830  -1.126  -2.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.429  -2.482  -1.414  1.00  0.00           C  
HETATM   17  C   UNL     1       7.150  -1.269  -2.760  1.00  0.00           C  
HETATM   18  C   UNL     1       5.137  -3.462  -2.552  1.00  0.00           C  
HETATM   19  N   UNL     1       3.593   0.446  -0.764  1.00  0.00           N  
HETATM   20  C   UNL     1       2.329   0.583  -0.037  1.00  0.00           C  
HETATM   21  C   UNL     1       2.275   1.956   0.637  1.00  0.00           C  
HETATM   22  C   UNL     1       3.368   2.044   1.704  1.00  0.00           C  
HETATM   23  C   UNL     1       3.313   3.416   2.378  1.00  0.00           C  
HETATM   24  C   UNL     1       4.406   3.504   3.444  1.00  0.00           C  
HETATM   25  C   UNL     1       1.160   0.448  -1.015  1.00  0.00           C  
HETATM   26  O   UNL     1       1.185   1.538  -1.939  1.00  0.00           O  
HETATM   27  O   UNL     1       1.276  -0.785  -1.729  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.158   0.467  -0.239  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.329   0.490  -1.224  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.370  -0.828  -1.999  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.429  -1.997  -1.014  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.364  -3.317  -1.785  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.423  -4.486  -0.799  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.619   0.669  -0.467  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.599   0.841   0.734  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.796   0.636  -1.123  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.043   0.918  -0.407  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.192   0.252  -1.117  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.991  -0.394  -2.124  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.275   2.430  -0.365  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.173   3.093   0.464  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.403   4.582   0.505  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.354   5.065  -0.071  1.00  0.00           O  
HETATM   44  N   UNL     1      -3.550   5.376   1.183  1.00  0.00           N  
HETATM   45  N   UNL     1      -7.445   0.375  -0.635  1.00  0.00           N  
HETATM   46  C   UNL     1      -8.563  -0.272  -1.326  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.056   0.624  -2.433  1.00  0.00           C  
HETATM   48  O   UNL     1      -8.525   1.698  -2.626  1.00  0.00           O  
HETATM   49  C   UNL     1      -9.698  -0.526  -0.333  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.236  -1.534   0.722  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.371  -1.789   1.716  1.00  0.00           C  
HETATM   52  N   UNL     1      -9.929  -2.753   2.726  1.00  0.00           N  
HETATM   53  C   UNL     1     -10.786  -3.139   3.729  1.00  0.00           C  
HETATM   54  N   UNL     1     -12.057  -2.619   3.786  1.00  0.00           N  
HETATM   55  N   UNL     1     -10.392  -3.997   4.628  1.00  0.00           N  
HETATM   56  N   UNL     1     -10.086   0.233  -3.209  1.00  0.00           N  
HETATM   57  H   UNL     1      13.943  -1.315   0.433  1.00  0.00           H  
HETATM   58  H   UNL     1      13.172  -0.672  -1.037  1.00  0.00           H  
HETATM   59  H   UNL     1      13.393   0.377   0.384  1.00  0.00           H  
HETATM   60  H   UNL     1      10.799   0.403  -0.353  1.00  0.00           H  
HETATM   61  H   UNL     1       9.378  -1.872   0.803  1.00  0.00           H  
HETATM   62  H   UNL     1       8.247  -0.555   2.529  1.00  0.00           H  
HETATM   63  H   UNL     1       8.967   1.700   2.848  1.00  0.00           H  
HETATM   64  H   UNL     1      11.274  -0.181   2.630  1.00  0.00           H  
HETATM   65  H   UNL     1      10.175  -0.126   4.028  1.00  0.00           H  
HETATM   66  H   UNL     1      10.393  -1.645   3.126  1.00  0.00           H  
HETATM   67  H   UNL     1       6.804  -1.076   0.846  1.00  0.00           H  
HETATM   68  H   UNL     1       6.287   0.854  -1.285  1.00  0.00           H  
HETATM   69  H   UNL     1       5.053  -0.781  -2.683  1.00  0.00           H  
HETATM   70  H   UNL     1       6.243  -2.868  -0.802  1.00  0.00           H  
HETATM   71  H   UNL     1       7.927  -1.615  -2.077  1.00  0.00           H  
HETATM   72  H   UNL     1       7.028  -1.992  -3.567  1.00  0.00           H  
HETATM   73  H   UNL     1       7.436  -0.304  -3.177  1.00  0.00           H  
HETATM   74  H   UNL     1       4.851  -4.428  -2.135  1.00  0.00           H  
HETATM   75  H   UNL     1       4.322  -3.076  -3.165  1.00  0.00           H  
HETATM   76  H   UNL     1       4.537  -2.362  -0.800  1.00  0.00           H  
HETATM   77  H   UNL     1       6.029  -3.582  -3.167  1.00  0.00           H  
HETATM   78  H   UNL     1       3.633   0.655  -1.711  1.00  0.00           H  
HETATM   79  H   UNL     1       2.260  -0.197   0.722  1.00  0.00           H  
HETATM   80  H   UNL     1       2.433   2.733  -0.110  1.00  0.00           H  
HETATM   81  H   UNL     1       1.299   2.093   1.104  1.00  0.00           H  
HETATM   82  H   UNL     1       3.210   1.266   2.451  1.00  0.00           H  
HETATM   83  H   UNL     1       4.343   1.906   1.237  1.00  0.00           H  
HETATM   84  H   UNL     1       3.471   4.194   1.630  1.00  0.00           H  
HETATM   85  H   UNL     1       2.338   3.554   2.844  1.00  0.00           H  
HETATM   86  H   UNL     1       4.248   2.727   4.192  1.00  0.00           H  
HETATM   87  H   UNL     1       5.382   3.367   2.978  1.00  0.00           H  
HETATM   88  H   UNL     1       4.368   4.482   3.924  1.00  0.00           H  
HETATM   89  H   UNL     1       1.110   2.408  -1.524  1.00  0.00           H  
HETATM   90  H   UNL     1       1.267  -1.569  -1.163  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.226  -0.425   0.384  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.196   1.355   0.392  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.200   1.318  -1.922  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.253  -0.846  -2.638  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.475  -0.916  -2.614  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.586  -1.936  -0.326  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.362  -1.951  -0.451  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.207  -3.379  -2.472  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.431  -3.364  -2.347  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.580  -4.425  -0.111  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.355  -4.440  -0.236  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.376  -5.427  -1.348  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.818   0.425  -2.070  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.972   0.533   0.611  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.257   2.829  -1.379  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.245   2.635   0.089  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.191   2.694   1.478  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.204   2.887   0.010  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.789   4.990   1.644  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.698   6.334   1.210  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.606   0.893   0.169  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.229  -1.220  -1.748  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.972   0.410   0.154  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.562  -0.926  -0.863  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.963  -2.470   0.235  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.372  -1.134   1.252  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.645  -0.853   2.203  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.236  -2.188   1.185  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.032  -3.120   2.686  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.350  -1.980   3.117  1.00  0.00           H  
HETATM  121  H   UNL     1     -12.662  -2.891   4.494  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.997  -4.269   5.336  1.00  0.00           H  
HETATM  123  H   UNL     1     -10.510  -0.626  -3.055  1.00  0.00           H  
HETATM  124  H   UNL     1     -10.403   0.809  -3.922  1.00  0.00           H  
CONECT    1    3    4    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1   57   58   59                                       
CONECT    4    1    5   60                                            
CONECT    5    6    4    8   61                                       
CONECT    6    7    7    5   11                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   10   62                                       
CONECT    9    8   63                                                 
CONECT   10    8   64   65   66                                       
CONECT   11    6   12   67                                            
CONECT   12   13   11   15   68                                       
CONECT   13   19   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   69                                       
CONECT   16   15   18   70   76                                       
CONECT   17   15   71   72   73                                       
CONECT   18   16   74   75   77                                       
CONECT   19   13   20   78                                            
CONECT   20   19   25   21   79                                       
CONECT   21   22   20   80   81                                       
CONECT   22   21   23   82   83                                       
CONECT   23   24   22   84   85                                       
CONECT   24   23   86   87   88                                       
CONECT   25   26   27   20   28                                       
CONECT   26   25   89                                                 
CONECT   27   25   90                                                 
CONECT   28   29   25   91   92                                       
CONECT   29   34   28   30   93                                       
CONECT   30   29   31   94   95                                       
CONECT   31   30   32   96   97                                       
CONECT   32   31   33   98   99                                       
CONECT   33   32  100  101  102                                       
CONECT   34   29   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   34   37  103                                            
CONECT   37   38   36   40  104                                       
CONECT   38   39   39   37   45                                       
CONECT   39   38   38                                                 
CONECT   40   37   41  105  106                                       
CONECT   41   40   42  107  108                                       
CONECT   42   43   43   41   44                                       
CONECT   43   42   42                                                 
CONECT   44   42  109  110                                            
CONECT   45   38   46  111                                            
CONECT   46   47   45   49  112                                       
CONECT   47   46   56   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   46   50  113  114                                       
CONECT   50   49   51  115  116                                       
CONECT   51   50   52  117  118                                       
CONECT   52   51   53  119                                            
CONECT   53   52   54   55   55                                       
CONECT   54   53  120  121                                            
CONECT   55   53   53  122                                            
CONECT   56   47  123  124                                            
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   49                                                      
CONECT  114   49                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
CONECT  119   52                                                      
CONECT  120   54                                                      
CONECT  121   54                                                      
CONECT  122   55                                                      
CONECT  123   56                                                      
CONECT  124   56                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
