COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.259  -1.637   0.431  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.161  -1.087   1.162  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.251  -2.276   1.406  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.616  -3.353   2.097  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.454  -2.810   0.621  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.419  -3.343   1.530  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.080  -1.662  -0.176  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.158  -2.164  -0.969  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.016  -1.047  -1.090  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.913  -0.599  -0.300  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.618   0.139  -1.846  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.657   0.651  -2.772  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.602  11.163   1.225  1.00  0.00           C  
HETATM   14  C   UNL     1       5.600 -11.170   1.216  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.652   1.941  -0.276  1.00  0.00           O  
HETATM   16  O   UNL     1       8.683  -1.936  -0.281  1.00  0.00           O  
HETATM   17  O   UNL     1       4.651  -0.655  -2.774  1.00  0.00           O  
HETATM   18  O   UNL     1       6.418   3.333   1.531  1.00  0.00           O  
HETATM   19  O   UNL     1       3.615   3.344   2.100  1.00  0.00           O  
HETATM   20  O   UNL     1     -10.324  -0.247  -3.408  1.00  0.00           O  
HETATM   21  O   UNL     1      10.343   0.272  -3.405  1.00  0.00           O  
HETATM   22  O   UNL     1     -10.634  -3.081  -3.177  1.00  0.00           O  
HETATM   23  O   UNL     1      10.628   3.108  -3.168  1.00  0.00           O  
HETATM   24  O   UNL     1      -8.861  -4.360  -1.333  1.00  0.00           O  
HETATM   25  O   UNL     1       8.839   4.369  -1.326  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.042  10.046   2.108  1.00  0.00           C  
HETATM   27  C   UNL     1       5.040 -10.054   2.100  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.482   8.930   1.224  1.00  0.00           C  
HETATM   29  C   UNL     1       4.480  -8.937   1.217  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.922   7.813   2.107  1.00  0.00           C  
HETATM   31  C   UNL     1       3.920  -7.820   2.100  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.362   6.696   1.223  1.00  0.00           C  
HETATM   33  C   UNL     1       3.359  -6.703   1.217  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.802   5.579   2.106  1.00  0.00           C  
HETATM   35  C   UNL     1       2.799  -5.587   2.101  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.242   4.463   1.222  1.00  0.00           C  
HETATM   37  C   UNL     1       2.239  -4.470   1.218  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.681   3.346   2.105  1.00  0.00           C  
HETATM   39  C   UNL     1       1.679  -3.354   2.102  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.121   2.230   1.221  1.00  0.00           C  
HETATM   41  C   UNL     1       1.119  -2.237   1.219  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.655   1.209  -0.983  1.00  0.00           C  
HETATM   43  C   UNL     1       9.681  -1.193  -0.984  1.00  0.00           C  
HETATM   44  C   UNL     1       5.613  -0.144  -1.850  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.561   1.113   2.104  1.00  0.00           C  
HETATM   46  C   UNL     1       0.559  -1.120   2.103  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.118  -0.563   0.337  1.00  0.00           C  
HETATM   48  C   UNL     1       1.115   0.557   0.337  1.00  0.00           C  
HETATM   49  O   UNL     1       2.158   1.080   1.162  1.00  0.00           O  
HETATM   50  O   UNL     1       3.910   0.593  -0.302  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.921  -0.914  -0.089  1.00  0.00           O  
HETATM   52  O   UNL     1       8.927   0.921  -0.088  1.00  0.00           O  
HETATM   53  O   UNL     1       7.155   2.157  -0.970  1.00  0.00           O  
HETATM   54  C   UNL     1      -9.131  -0.192  -1.305  1.00  0.00           C  
HETATM   55  C   UNL     1       9.146   0.204  -1.304  1.00  0.00           C  
HETATM   56  C   UNL     1       5.012   1.042  -1.092  1.00  0.00           C  
HETATM   57  C   UNL     1       5.452   2.802   0.622  1.00  0.00           C  
HETATM   58  C   UNL     1       3.256   1.631   0.432  1.00  0.00           C  
HETATM   59  C   UNL     1       4.250   2.268   1.407  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.001  -0.004   1.220  1.00  0.00           C  
HETATM   61  C   UNL     1     -10.156  -0.935  -2.167  1.00  0.00           C  
HETATM   62  C   UNL     1      10.166   0.957  -2.163  1.00  0.00           C  
HETATM   63  C   UNL     1       6.077   1.655  -0.177  1.00  0.00           C  
HETATM   64  C   UNL     1      -8.405  -2.233  -0.275  1.00  0.00           C  
HETATM   65  C   UNL     1       8.400   2.237  -0.273  1.00  0.00           C  
HETATM   66  C   UNL     1      -9.651  -2.356  -2.434  1.00  0.00           C  
HETATM   67  C   UNL     1       9.650   2.374  -2.429  1.00  0.00           C  
HETATM   68  C   UNL     1      -9.401  -3.058  -1.096  1.00  0.00           C  
HETATM   69  C   UNL     1       9.390   3.071  -1.090  1.00  0.00           C  
HETATM   70  H   UNL     1      -2.892  -2.394  -0.262  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.588  -1.529   2.125  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.842  -3.087   2.612  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.124  -3.594  -0.061  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.088  -4.071   2.074  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.454  -0.903   0.510  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.672  -1.796  -1.803  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.506  -0.188  -2.388  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.892   0.921  -1.138  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.971   1.406  -3.288  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.001  11.958   1.854  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.807  11.562   0.595  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.398  10.764   0.595  1.00  0.00           H  
HETATM   83  H   UNL     1       4.804 -11.569   0.586  1.00  0.00           H  
HETATM   84  H   UNL     1       6.395 -10.771   0.586  1.00  0.00           H  
HETATM   85  H   UNL     1       5.999 -11.966   1.845  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.916   2.841  -0.039  1.00  0.00           H  
HETATM   87  H   UNL     1       8.955  -2.833  -0.045  1.00  0.00           H  
HETATM   88  H   UNL     1       4.964  -1.409  -3.291  1.00  0.00           H  
HETATM   89  H   UNL     1       6.088   4.061   2.076  1.00  0.00           H  
HETATM   90  H   UNL     1       2.844   3.077   2.619  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.960  -0.663  -4.005  1.00  0.00           H  
HETATM   92  H   UNL     1      10.977   0.695  -4.000  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.381  -3.991  -3.382  1.00  0.00           H  
HETATM   94  H   UNL     1      10.367   4.017  -3.372  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.673  -4.860  -0.527  1.00  0.00           H  
HETATM   96  H   UNL     1       8.649   4.868  -0.520  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.247  10.445   2.737  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.838   9.647   2.737  1.00  0.00           H  
HETATM   99  H   UNL     1       4.244 -10.453   2.729  1.00  0.00           H  
HETATM  100  H   UNL     1       5.835  -9.655   2.729  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.278   8.531   0.594  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.687   9.329   0.595  1.00  0.00           H  
HETATM  103  H   UNL     1       5.275  -8.537   0.587  1.00  0.00           H  
HETATM  104  H   UNL     1       3.684  -9.335   0.587  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.126   8.212   2.736  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.717   7.413   2.736  1.00  0.00           H  
HETATM  107  H   UNL     1       3.124  -8.220   2.730  1.00  0.00           H  
HETATM  108  H   UNL     1       4.715  -7.422   2.730  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.157   6.298   0.594  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.566   7.096   0.594  1.00  0.00           H  
HETATM  111  H   UNL     1       4.155  -6.304   0.588  1.00  0.00           H  
HETATM  112  H   UNL     1       2.564  -7.102   0.588  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.006   5.978   2.735  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.597   5.180   2.735  1.00  0.00           H  
HETATM  115  H   UNL     1       2.004  -5.986   2.731  1.00  0.00           H  
HETATM  116  H   UNL     1       3.595  -5.188   2.731  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.037   4.064   0.593  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.446   4.862   0.593  1.00  0.00           H  
HETATM  119  H   UNL     1       3.035  -4.071   0.589  1.00  0.00           H  
HETATM  120  H   UNL     1       1.444  -4.869   0.589  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.886   3.745   2.734  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.477   2.947   2.734  1.00  0.00           H  
HETATM  123  H   UNL     1       0.884  -3.753   2.731  1.00  0.00           H  
HETATM  124  H   UNL     1       2.475  -2.955   2.732  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.917   1.831   0.592  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.326   2.629   0.592  1.00  0.00           H  
HETATM  127  H   UNL     1       1.914  -1.838   0.590  1.00  0.00           H  
HETATM  128  H   UNL     1       0.323  -2.636   0.590  1.00  0.00           H  
HETATM  129  H   UNL     1     -10.550   1.129  -0.365  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.899   1.727  -1.910  1.00  0.00           H  
HETATM  131  H   UNL     1      10.574  -1.107  -0.364  1.00  0.00           H  
HETATM  132  H   UNL     1       9.932  -1.708  -1.911  1.00  0.00           H  
HETATM  133  H   UNL     1       5.888  -0.926  -1.142  1.00  0.00           H  
HETATM  134  H   UNL     1       6.500   0.184  -2.392  1.00  0.00           H  
HETATM  135  H   UNL     1       0.234   1.512   2.733  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.357   0.714   2.733  1.00  0.00           H  
HETATM  137  H   UNL     1      -0.236  -1.520   2.732  1.00  0.00           H  
HETATM  138  H   UNL     1       1.355  -0.722   2.733  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.719  -1.359  -0.293  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.517   0.232  -0.292  1.00  0.00           H  
HETATM  141  H   UNL     1       0.716   1.353  -0.292  1.00  0.00           H  
HETATM  142  H   UNL     1       1.514  -0.238  -0.293  1.00  0.00           H  
HETATM  143  H   UNL     1      -8.189  -0.112  -1.847  1.00  0.00           H  
HETATM  144  H   UNL     1       8.206   0.117  -1.849  1.00  0.00           H  
HETATM  145  H   UNL     1       4.668   1.792  -1.803  1.00  0.00           H  
HETATM  146  H   UNL     1       5.123   3.587  -0.059  1.00  0.00           H  
HETATM  147  H   UNL     1       2.889   2.389  -0.260  1.00  0.00           H  
HETATM  148  H   UNL     1       4.587   1.520   2.124  1.00  0.00           H  
HETATM  149  H   UNL     1     -11.110  -0.979  -1.642  1.00  0.00           H  
HETATM  150  H   UNL     1      11.118   1.008  -1.636  1.00  0.00           H  
HETATM  151  H   UNL     1       6.451   0.894   0.507  1.00  0.00           H  
HETATM  152  H   UNL     1      -8.256  -2.705   0.696  1.00  0.00           H  
HETATM  153  H   UNL     1       8.244   2.706   0.698  1.00  0.00           H  
HETATM  154  H   UNL     1      -8.723  -2.313  -3.004  1.00  0.00           H  
HETATM  155  H   UNL     1       8.723   2.324  -3.001  1.00  0.00           H  
HETATM  156  H   UNL     1     -10.339  -3.147  -0.549  1.00  0.00           H  
HETATM  157  H   UNL     1      10.326   3.166  -0.541  1.00  0.00           H  
CONECT    1    2    3   10   70                                       
CONECT    2   47    1                                                 
CONECT    3    4    1    5   71                                       
CONECT    4    3   72                                                 
CONECT    5    3    6    7   73                                       
CONECT    6    5   74                                                 
CONECT    7    5    9    8   75                                       
CONECT    8    7   64                                                 
CONECT    9   10    7   11   76                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   77   78                                       
CONECT   12   11   79                                                 
CONECT   13   26   80   81   82                                       
CONECT   14   27   83   84   85                                       
CONECT   15   42   86                                                 
CONECT   16   43   87                                                 
CONECT   17   44   88                                                 
CONECT   18   57   89                                                 
CONECT   19   59   90                                                 
CONECT   20   61   91                                                 
CONECT   21   62   92                                                 
CONECT   22   66   93                                                 
CONECT   23   67   94                                                 
CONECT   24   68   95                                                 
CONECT   25   69   96                                                 
CONECT   26   13   28   97   98                                       
CONECT   27   14   29   99  100                                       
CONECT   28   26   30  101  102                                       
CONECT   29   27   31  103  104                                       
CONECT   30   28   32  105  106                                       
CONECT   31   29   33  107  108                                       
CONECT   32   30   34  109  110                                       
CONECT   33   31   35  111  112                                       
CONECT   34   32   36  113  114                                       
CONECT   35   33   37  115  116                                       
CONECT   36   34   38  117  118                                       
CONECT   37   35   39  119  120                                       
CONECT   38   36   40  121  122                                       
CONECT   39   37   41  123  124                                       
CONECT   40   38   45  125  126                                       
CONECT   41   39   46  127  128                                       
CONECT   42   54   15  129  130                                       
CONECT   43   16   55  131  132                                       
CONECT   44   17   56  133  134                                       
CONECT   45   40   60  135  136                                       
CONECT   46   41   60  137  138                                       
CONECT   47   60    2  139  140                                       
CONECT   48   60   49  141  142                                       
CONECT   49   48   58                                                 
CONECT   50   56   58                                                 
CONECT   51   64   54                                                 
CONECT   52   55   65                                                 
CONECT   53   63   65                                                 
CONECT   54   51   42   61  143                                       
CONECT   55   43   62   52  144                                       
CONECT   56   44   50   63  145                                       
CONECT   57   63   59   18  146                                       
CONECT   58   50   49   59  147                                       
CONECT   59   58   57   19  148                                       
CONECT   60   45   46   48   47                                       
CONECT   61   54   66   20  149                                       
CONECT   62   21   55   67  150                                       
CONECT   63   56   53   57  151                                       
CONECT   64    8   51   68  152                                       
CONECT   65   52   53   69  153                                       
CONECT   66   68   61   22  154                                       
CONECT   67   62   23   69  155                                       
CONECT   68   64   24   66  156                                       
CONECT   69   67   65   25  157                                       
CONECT   70    1                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   12                                                      
CONECT   80   13                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   14                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   17                                                      
CONECT   89   18                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   25                                                      
CONECT   97   26                                                      
CONECT   98   26                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   28                                                      
CONECT  102   28                                                      
CONECT  103   29                                                      
CONECT  104   29                                                      
CONECT  105   30                                                      
CONECT  106   30                                                      
CONECT  107   31                                                      
CONECT  108   31                                                      
CONECT  109   32                                                      
CONECT  110   32                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   34                                                      
CONECT  114   34                                                      
CONECT  115   35                                                      
CONECT  116   35                                                      
CONECT  117   36                                                      
CONECT  118   36                                                      
CONECT  119   37                                                      
CONECT  120   37                                                      
CONECT  121   38                                                      
CONECT  122   38                                                      
CONECT  123   39                                                      
CONECT  124   39                                                      
CONECT  125   40                                                      
CONECT  126   40                                                      
CONECT  127   41                                                      
CONECT  128   41                                                      
CONECT  129   42                                                      
CONECT  130   42                                                      
CONECT  131   43                                                      
CONECT  132   43                                                      
CONECT  133   44                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   45                                                      
CONECT  137   46                                                      
CONECT  138   46                                                      
CONECT  139   47                                                      
CONECT  140   47                                                      
CONECT  141   48                                                      
CONECT  142   48                                                      
CONECT  143   54                                                      
CONECT  144   55                                                      
CONECT  145   56                                                      
CONECT  146   57                                                      
CONECT  147   58                                                      
CONECT  148   59                                                      
CONECT  149   61                                                      
CONECT  150   62                                                      
CONECT  151   63                                                      
CONECT  152   64                                                      
CONECT  153   65                                                      
CONECT  154   66                                                      
CONECT  155   67                                                      
CONECT  156   68                                                      
CONECT  157   69                                                      
MASTER        0    0    0    0    0    0    0    0  157    0  157    0
END
