COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.616  -0.370  -1.234  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.670  -0.240  -1.223  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.477  -0.697  -2.483  1.00  0.00           C  
HETATM    4  O   UNL     1       6.781  -5.647   0.620  1.00  0.00           O  
HETATM    5  N   UNL     1       6.074  -3.285  -0.275  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.440  -0.122   1.696  1.00  0.00           C  
HETATM    7  N   UNL     1       6.749   3.121  -0.807  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.357  -1.458  -0.350  1.00  0.00           C  
HETATM    9  O   UNL     1     -15.097   1.117  -0.301  1.00  0.00           O  
HETATM   10  C   UNL     1     -14.002   0.353  -0.161  1.00  0.00           C  
HETATM   11  O   UNL     1     -14.112  -0.845  -0.046  1.00  0.00           O  
HETATM   12  C   UNL     1     -12.636   0.989  -0.146  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.571  -0.095   0.025  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.184   0.550   0.040  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.051   1.446   1.273  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.113  -0.542   0.086  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.248  -1.477  -1.142  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.882  -1.431  -1.880  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.908  -1.017  -0.772  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.723   0.075  -0.029  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.789   1.342  -0.884  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.004   0.373   1.272  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.635   0.974   0.911  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.820   0.050   0.011  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.786  -1.362  -2.049  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.512   0.732  -0.392  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.820   1.979  -1.222  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.736   1.128   0.866  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.602  -1.098   0.867  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.336  -0.461   0.497  1.00  0.00           N  
HETATM   31  C   UNL     1       0.708  -0.491   1.349  1.00  0.00           C  
HETATM   32  O   UNL     1       0.599  -1.044   2.423  1.00  0.00           O  
HETATM   33  C   UNL     1       2.010   0.164   0.968  1.00  0.00           C  
HETATM   34  C   UNL     1       3.021  -0.012   2.103  1.00  0.00           C  
HETATM   35  C   UNL     1       4.302   0.755   1.768  1.00  0.00           C  
HETATM   36  C   UNL     1       5.258   0.668   2.931  1.00  0.00           C  
HETATM   37  O   UNL     1       6.316   0.099   2.802  1.00  0.00           O  
HETATM   38  O   UNL     1       4.933   1.222   4.109  1.00  0.00           O  
HETATM   39  N   UNL     1       4.927   0.167   0.576  1.00  0.00           N  
HETATM   40  C   UNL     1       6.082   0.964   0.140  1.00  0.00           C  
HETATM   41  C   UNL     1       5.593   2.286  -0.457  1.00  0.00           C  
HETATM   42  C   UNL     1       7.442   2.592  -1.990  1.00  0.00           C  
HETATM   43  C   UNL     1       8.852   3.124  -2.026  1.00  0.00           C  
HETATM   44  O   UNL     1       9.240   3.867  -1.155  1.00  0.00           O  
HETATM   45  O   UNL     1       9.677   2.772  -3.024  1.00  0.00           O  
HETATM   46  C   UNL     1       6.345   4.518  -1.015  1.00  0.00           C  
HETATM   47  C   UNL     1       5.863   5.101   0.288  1.00  0.00           C  
HETATM   48  O   UNL     1       5.441   6.374   0.339  1.00  0.00           O  
HETATM   49  O   UNL     1       5.857   4.423   1.288  1.00  0.00           O  
HETATM   50  C   UNL     1       5.313  -1.230   0.817  1.00  0.00           C  
HETATM   51  C   UNL     1       5.577  -1.924  -0.520  1.00  0.00           C  
HETATM   52  C   UNL     1       5.000  -4.157   0.218  1.00  0.00           C  
HETATM   53  C   UNL     1       5.589  -5.463   0.688  1.00  0.00           C  
HETATM   54  O   UNL     1       4.789  -6.420   1.183  1.00  0.00           O  
HETATM   55  C   UNL     1       6.694  -3.845  -1.484  1.00  0.00           C  
HETATM   56  C   UNL     1       8.029  -3.186  -1.715  1.00  0.00           C  
HETATM   57  O   UNL     1       8.726  -3.453  -2.831  1.00  0.00           O  
HETATM   58  O   UNL     1       8.474  -2.417  -0.895  1.00  0.00           O  
HETATM   59  H   UNL     1      -0.249  -0.019  -0.362  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.841   0.508  -1.841  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.739   0.230  -1.538  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.702   0.169  -3.104  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.884  -1.410  -3.055  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.892   0.153   2.597  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.381  -0.597   1.973  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.289  -1.928  -0.036  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.764  -2.172  -0.921  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.951   0.664  -0.305  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.471   1.516  -1.086  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.573   1.695   0.683  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.736  -0.623   0.965  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.634  -0.801  -0.803  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.052   1.150  -0.860  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.854   2.183   1.275  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.117   0.836   2.174  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.089   1.957   1.250  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.197  -1.114   1.010  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.463  -2.495  -0.815  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.041  -1.120  -1.799  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.623  -2.414  -2.274  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.900  -0.690  -2.678  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.695  -1.863  -0.118  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.379   2.099  -0.367  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.780   1.720  -1.051  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.254   1.111  -1.842  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.580   1.088   1.859  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.867  -0.548   1.839  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.787   1.916   0.385  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.077   1.165   1.828  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.575  -0.856   0.565  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.564  -2.237  -1.439  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.347  -1.667  -2.932  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.422   2.670  -0.631  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.887   2.464  -1.509  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.371   1.693  -2.118  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.332   1.824   1.456  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.798   1.605   0.579  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.400  -1.993   1.455  1.00  0.00           H  
HETATM   99  H   UNL     1       2.398  -0.299   0.061  1.00  0.00           H  
HETATM  100  H   UNL     1       1.845   1.227   0.791  1.00  0.00           H  
HETATM  101  H   UNL     1       2.598   0.375   3.030  1.00  0.00           H  
HETATM  102  H   UNL     1       3.252  -1.071   2.223  1.00  0.00           H  
HETATM  103  H   UNL     1       4.061   1.799   1.574  1.00  0.00           H  
HETATM  104  H   UNL     1       5.578   1.140   4.825  1.00  0.00           H  
HETATM  105  H   UNL     1       6.727   1.168   0.995  1.00  0.00           H  
HETATM  106  H   UNL     1       6.642   0.410  -0.614  1.00  0.00           H  
HETATM  107  H   UNL     1       4.976   2.808   0.274  1.00  0.00           H  
HETATM  108  H   UNL     1       5.005   2.085  -1.352  1.00  0.00           H  
HETATM  109  H   UNL     1       7.466   1.504  -1.940  1.00  0.00           H  
HETATM  110  H   UNL     1       6.913   2.904  -2.890  1.00  0.00           H  
HETATM  111  H   UNL     1      10.571   3.139  -3.005  1.00  0.00           H  
HETATM  112  H   UNL     1       7.197   5.093  -1.377  1.00  0.00           H  
HETATM  113  H   UNL     1       5.541   4.558  -1.750  1.00  0.00           H  
HETATM  114  H   UNL     1       5.141   6.704   1.197  1.00  0.00           H  
HETATM  115  H   UNL     1       6.217  -1.257   1.426  1.00  0.00           H  
HETATM  116  H   UNL     1       4.507  -1.744   1.341  1.00  0.00           H  
HETATM  117  H   UNL     1       6.322  -1.361  -1.081  1.00  0.00           H  
HETATM  118  H   UNL     1       4.651  -1.974  -1.093  1.00  0.00           H  
HETATM  119  H   UNL     1       4.488  -3.670   1.048  1.00  0.00           H  
HETATM  120  H   UNL     1       4.289  -4.348  -0.586  1.00  0.00           H  
HETATM  121  H   UNL     1       5.212  -7.240   1.472  1.00  0.00           H  
HETATM  122  H   UNL     1       6.835  -4.918  -1.356  1.00  0.00           H  
HETATM  123  H   UNL     1       6.046  -3.663  -2.341  1.00  0.00           H  
HETATM  124  H   UNL     1       9.577  -3.007  -2.934  1.00  0.00           H  
CONECT    1   24   19   25   60                                       
CONECT    2   26    8    3   61                                       
CONECT    3    2   25   62   63                                       
CONECT    4   53   53                                                 
CONECT    5   51   55   52                                            
CONECT    6   28   29   64   65                                       
CONECT    7   42   41   46                                            
CONECT    8    2   29   66   67                                       
CONECT    9   10   68                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   69   70                                       
CONECT   13   12   14   71   72                                       
CONECT   14   13   15   16   73                                       
CONECT   15   14   74   75   76                                       
CONECT   16   14   20   17   77                                       
CONECT   17   16   18   78   79                                       
CONECT   18   17   19   80   81                                       
CONECT   19    1   18   20   82                                       
CONECT   20   16   19   22   21                                       
CONECT   21   20   83   84   85                                       
CONECT   22   20   23   86   87                                       
CONECT   23   22   24   88   89                                       
CONECT   24    1   23   26   90                                       
CONECT   25    1    3   91   92                                       
CONECT   26    2   24   28   27                                       
CONECT   27   26   93   94   95                                       
CONECT   28    6   26   96   97                                       
CONECT   29    6    8   30   98                                       
CONECT   30   29   31   59                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   99  100                                       
CONECT   34   33   35  101  102                                       
CONECT   35   34   36   39  103                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36  104                                                 
CONECT   39   35   40   50                                            
CONECT   40   39   41  105  106                                       
CONECT   41    7   40  107  108                                       
CONECT   42    7   43  109  110                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43  111                                                 
CONECT   46    7   47  112  113                                       
CONECT   47   46   49   49   48                                       
CONECT   48   47  114                                                 
CONECT   49   47   47                                                 
CONECT   50   39   51  115  116                                       
CONECT   51    5   50  117  118                                       
CONECT   52    5   53  119  120                                       
CONECT   53    4    4   52   54                                       
CONECT   54   53  121                                                 
CONECT   55    5   56  122  123                                       
CONECT   56   55   58   58   57                                       
CONECT   57   56  124                                                 
CONECT   58   56   56                                                 
CONECT   59   30                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   33                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   38                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   48                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
CONECT  119   52                                                      
CONECT  120   52                                                      
CONECT  121   54                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   57                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
