COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.362   0.500 -10.696  1.00  0.00           C  
HETATM    2  C   UNL     1       0.915   0.971 -11.263  1.00  0.00           C  
HETATM    3  C   UNL     1       1.916   0.090 -11.494  1.00  0.00           C  
HETATM    4  C   UNL     1       1.723  -1.338 -11.183  1.00  0.00           C  
HETATM    5  C   UNL     1       0.442  -1.804 -10.608  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.547  -0.932 -10.380  1.00  0.00           C  
HETATM    7  C   UNL     1       0.216   2.584 -12.648  1.00  0.00           C  
HETATM    8  C   UNL     1       4.078   0.371 -10.992  1.00  0.00           C  
HETATM    9  C   UNL     1       0.249  -3.263 -10.285  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.852  -1.412  -9.800  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.787  -1.348  -8.296  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.721  -0.720  -7.626  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.943  -0.203  -8.341  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.574  -0.513  -6.140  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.853   0.810  -5.879  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.706   1.016  -4.393  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.528   1.275  -3.881  1.00  0.00           C  
HETATM   18  C   UNL     1       0.648   1.529  -4.789  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.349   1.320  -2.386  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.262   1.288 -10.488  1.00  0.00           O  
HETATM   21  O   UNL     1       1.086   2.286 -11.554  1.00  0.00           O  
HETATM   22  O   UNL     1       3.093   0.520 -12.016  1.00  0.00           O  
HETATM   23  O   UNL     1       2.620  -2.131 -11.389  1.00  0.00           O  
HETATM   24  C   UNL     1       0.018  -0.074  -1.874  1.00  0.00           C  
HETATM   25  C   UNL     1       0.196  -0.029  -0.379  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.463  -0.865   0.384  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.485  -1.792  -0.220  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.200  -0.898   1.867  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.135   0.085   2.573  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.872   0.052   4.057  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.437   1.125   4.669  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.038   2.339   3.870  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.335   1.145   6.173  1.00  0.00           C  
HETATM   34  C   UNL     1       1.050   0.653   6.596  1.00  0.00           C  
HETATM   35  C   UNL     1       1.152   0.673   8.100  1.00  0.00           C  
HETATM   36  C   UNL     1       1.538  -0.399   8.745  1.00  0.00           C  
HETATM   37  C   UNL     1       2.044  -1.596   7.981  1.00  0.00           C  
HETATM   38  C   UNL     1       1.475  -0.437  10.250  1.00  0.00           C  
HETATM   39  C   UNL     1       0.112  -0.973  10.691  1.00  0.00           C  
HETATM   40  C   UNL     1       0.050  -1.011  12.196  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.891  -0.356  12.829  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.804   0.571  12.070  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.060  -0.530  14.316  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.203   0.500  15.052  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.372   0.326  16.539  1.00  0.00           C  
HETATM   46  C   UNL     1       0.671   0.093  17.295  1.00  0.00           C  
HETATM   47  C   UNL     1       0.531   0.091  18.795  1.00  0.00           C  
HETATM   48  C   UNL     1       2.014  -0.171  16.663  1.00  0.00           C  
HETATM   49  H   UNL     1       0.271   3.648 -12.877  1.00  0.00           H  
HETATM   50  H   UNL     1       0.521   2.008 -13.522  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.807   2.322 -12.380  1.00  0.00           H  
HETATM   52  H   UNL     1       5.057   0.643 -11.386  1.00  0.00           H  
HETATM   53  H   UNL     1       3.831   1.021 -10.152  1.00  0.00           H  
HETATM   54  H   UNL     1       4.098  -0.665 -10.655  1.00  0.00           H  
HETATM   55  H   UNL     1       1.156  -3.814 -10.536  1.00  0.00           H  
HETATM   56  H   UNL     1       0.039  -3.375  -9.221  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.586  -3.656 -10.864  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.664  -0.777 -10.156  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.032  -2.441 -10.112  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.971  -1.820  -7.770  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.921  -0.529  -9.381  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.839  -0.592  -7.857  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.954   0.885  -8.302  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.561  -0.487  -5.678  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.995  -1.333  -5.715  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.867   0.784  -6.341  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.433   1.629  -6.304  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.571   0.951  -3.750  1.00  0.00           H  
HETATM   69  H   UNL     1       0.309   1.553  -5.824  1.00  0.00           H  
HETATM   70  H   UNL     1       1.104   2.485  -4.533  1.00  0.00           H  
HETATM   71  H   UNL     1       1.380   0.732  -4.664  1.00  0.00           H  
HETATM   72  H   UNL     1       0.446   2.020  -2.136  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.279   1.644  -1.918  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.778  -0.774  -2.125  1.00  0.00           H  
HETATM   75  H   UNL     1       0.947  -0.399  -2.342  1.00  0.00           H  
HETATM   76  H   UNL     1       0.868   0.690   0.063  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.467  -1.693  -1.306  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.251  -2.820   0.054  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.476  -1.533   0.151  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.380  -1.904   2.245  1.00  0.00           H  
HETATM   81  H   UNL     1       0.834  -0.617   2.059  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.956   1.092   2.195  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.170  -0.195   2.381  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.042  -0.856   4.615  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.087   2.106   2.807  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.719   3.161   4.094  1.00  0.00           H  
HETATM   87  H   UNL     1       0.979   2.628   4.132  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.485   2.163   6.533  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.098   0.493   6.598  1.00  0.00           H  
HETATM   90  H   UNL     1       1.200  -0.364   6.236  1.00  0.00           H  
HETATM   91  H   UNL     1       1.813   1.305   6.172  1.00  0.00           H  
HETATM   92  H   UNL     1       0.907   1.572   8.646  1.00  0.00           H  
HETATM   93  H   UNL     1       1.977  -1.399   6.911  1.00  0.00           H  
HETATM   94  H   UNL     1       3.082  -1.787   8.252  1.00  0.00           H  
HETATM   95  H   UNL     1       1.438  -2.467   8.229  1.00  0.00           H  
HETATM   96  H   UNL     1       2.262  -1.088  10.630  1.00  0.00           H  
HETATM   97  H   UNL     1       1.615   0.569  10.645  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.674  -0.322  10.311  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.026  -1.979  10.296  1.00  0.00           H  
HETATM  100  H   UNL     1       0.781  -1.577  12.753  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.465   0.651  11.038  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.820   0.176  12.089  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.789   1.557  12.535  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.108  -0.388  14.582  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.746  -1.534  14.603  1.00  0.00           H  
HETATM  106  H   UNL     1       0.844   0.358  14.787  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.517   1.504  14.766  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.355   0.393  16.982  1.00  0.00           H  
HETATM  109  H   UNL     1       1.498  -0.119  19.251  1.00  0.00           H  
HETATM  110  H   UNL     1       0.177   1.066  19.129  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.184  -0.675  19.092  1.00  0.00           H  
HETATM  112  H   UNL     1       1.900  -0.236  15.581  1.00  0.00           H  
HETATM  113  H   UNL     1       2.697   0.641  16.908  1.00  0.00           H  
HETATM  114  H   UNL     1       2.415  -1.110  17.044  1.00  0.00           H  
CONECT    1    2    6   20   20                                       
CONECT    2    1    3    3   21                                       
CONECT    3    2    2    4   22                                       
CONECT    4    3    5   23   23                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5   10                                       
CONECT    7   21   49   50   51                                       
CONECT    8   22   52   53   54                                       
CONECT    9    5   55   56   57                                       
CONECT   10    6   11   58   59                                       
CONECT   11   10   12   12   60                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   61   62   63                                       
CONECT   14   12   15   64   65                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   17   17   68                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   69   70   71                                       
CONECT   19   17   24   72   73                                       
CONECT   20    1    1                                                 
CONECT   21    2    7                                                 
CONECT   22    3    8                                                 
CONECT   23    4    4                                                 
CONECT   24   19   25   74   75                                       
CONECT   25   24   26   26   76                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   77   78   79                                       
CONECT   28   26   29   80   81                                       
CONECT   29   28   30   82   83                                       
CONECT   30   29   31   31   84                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   85   86   87                                       
CONECT   33   31   34   88   89                                       
CONECT   34   33   35   90   91                                       
CONECT   35   34   36   36   92                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   93   94   95                                       
CONECT   38   36   39   96   97                                       
CONECT   39   38   40   98   99                                       
CONECT   40   39   41   41  100                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41  101  102  103                                       
CONECT   43   41   44  104  105                                       
CONECT   44   43   45  106  107                                       
CONECT   45   44   46   46  108                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46  109  110  111                                       
CONECT   48   46  112  113  114                                       
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
