COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      20.140 111.536   2.318  1.00  0.00           C  
HETATM    2  C   UNL     1      19.811 110.145   2.862  1.00  0.00           C  
HETATM    3  C   UNL     1      19.341 109.246   1.717  1.00  0.00           C  
HETATM    4  C   UNL     1      21.060 109.539   3.506  1.00  0.00           C  
HETATM    5  O   UNL     1      20.755 108.235   4.007  1.00  0.00           O  
HETATM    6  C   UNL     1      22.175 109.438   2.463  1.00  0.00           C  
HETATM    7  C   UNL     1      23.532 109.614   3.146  1.00  0.00           C  
HETATM    8  C   UNL     1      22.118 108.067   1.786  1.00  0.00           C  
HETATM    9  O   UNL     1      21.521 107.910   0.722  1.00  0.00           O  
HETATM   10  N   UNL     1      22.756 107.086   2.439  1.00  0.00           N  
HETATM   11  C   UNL     1      22.799 105.709   1.928  1.00  0.00           C  
HETATM   12  C   UNL     1      21.503 105.249   1.722  1.00  0.00           C  
HETATM   13  O   UNL     1      21.206 104.648   0.691  1.00  0.00           O  
HETATM   14  C   UNL     1      23.500 104.814   2.937  1.00  0.00           C  
HETATM   15  O   UNL     1      22.576 103.836   3.435  1.00  0.00           O  
HETATM   16  C   UNL     1      24.019 105.664   4.099  1.00  0.00           C  
HETATM   17  N   UNL     1      20.526 105.474   2.699  1.00  0.00           N  
HETATM   18  C   UNL     1      19.144 104.988   2.487  1.00  0.00           C  
HETATM   19  C   UNL     1      18.318 106.009   1.703  1.00  0.00           C  
HETATM   20  C   UNL     1      18.162 105.537   0.256  1.00  0.00           C  
HETATM   21  C   UNL     1      16.937 106.151   2.345  1.00  0.00           C  
HETATM   22  C   UNL     1      16.726 107.601   2.788  1.00  0.00           C  
HETATM   23  C   UNL     1      18.542 104.751   3.718  1.00  0.00           C  
HETATM   24  O   UNL     1      18.382 105.665   4.526  1.00  0.00           O  
HETATM   25  N   UNL     1      18.112 103.459   4.040  1.00  0.00           N  
HETATM   26  C   UNL     1      17.470 103.197   5.348  1.00  0.00           C  
HETATM   27  C   UNL     1      18.437 102.824   6.274  1.00  0.00           C  
HETATM   28  O   UNL     1      19.343 102.053   5.961  1.00  0.00           O  
HETATM   29  C   UNL     1      16.540 102.173   5.211  1.00  0.00           C  
HETATM   30  C   UNL     1      16.748 100.956   5.850  1.00  0.00           C  
HETATM   31  C   UNL     1      15.818  99.932   5.713  1.00  0.00           C  
HETATM   32  C   UNL     1      14.680 100.124   4.938  1.00  0.00           C  
HETATM   33  O   UNL     1      13.771  99.122   4.804  1.00  0.00           O  
HETATM   34  C   UNL     1      14.473 101.342   4.299  1.00  0.00           C  
HETATM   35  C   UNL     1      15.403 102.366   4.436  1.00  0.00           C  
HETATM   36  C   UNL     1      17.297 104.240   7.906  1.00  0.00           C  
HETATM   37  N   UNL     1      18.383 103.311   7.521  1.00  0.00           N  
HETATM   38  C   UNL     1      19.409 102.919   8.513  1.00  0.00           C  
HETATM   39  C   UNL     1      20.649 103.405   8.115  1.00  0.00           C  
HETATM   40  O   UNL     1      21.653 102.698   8.183  1.00  0.00           O  
HETATM   41  C   UNL     1      19.479 101.398   8.658  1.00  0.00           C  
HETATM   42  C   UNL     1      18.979 101.026   9.901  1.00  0.00           C  
HETATM   43  C   UNL     1      19.630 100.052  10.648  1.00  0.00           C  
HETATM   44  C   UNL     1      19.131  99.680  11.891  1.00  0.00           C  
HETATM   45  C   UNL     1      17.980 100.282  12.386  1.00  0.00           C  
HETATM   46  C   UNL     1      17.329 101.257  11.639  1.00  0.00           C  
HETATM   47  C   UNL     1      17.829 101.629  10.396  1.00  0.00           C  
HETATM   48  N   UNL     1      20.756 104.714   7.630  1.00  0.00           N  
HETATM   49  C   UNL     1      22.073 105.239   7.204  1.00  0.00           C  
HETATM   50  C   UNL     1      21.911 106.501   6.354  1.00  0.00           C  
HETATM   51  O   UNL     1      23.128 107.251   6.376  1.00  0.00           O  
HETATM   52  C   UNL     1      20.774 107.355   6.919  1.00  0.00           C  
HETATM   53  C   UNL     1      22.743 104.267   6.469  1.00  0.00           C  
HETATM   54  O   UNL     1      23.967 104.301   6.352  1.00  0.00           O  
HETATM   55  N   UNL     1      22.016 103.239   5.856  1.00  0.00           N  
HETATM   56  C   UNL     1      22.720 102.200   5.073  1.00  0.00           C  
HETATM   57  C   UNL     1      23.263 102.771   3.927  1.00  0.00           C  
HETATM   58  O   UNL     1      24.290 102.322   3.421  1.00  0.00           O  
HETATM   59  C   UNL     1      21.773 101.078   4.680  1.00  0.00           C  
HETATM   60  O   UNL     1      20.878 101.543   3.659  1.00  0.00           O  
HETATM   61  N   UNL     1      18.806 100.138   1.291  1.00  0.00           N  
HETATM   62  C   UNL     1      20.078 100.829   1.603  1.00  0.00           C  
HETATM   63  C   UNL     1      20.485 100.493   2.889  1.00  0.00           C  
HETATM   64  O   UNL     1      20.478  99.324   3.271  1.00  0.00           O  
HETATM   65  C   UNL     1      13.164  99.197   3.506  1.00  0.00           C  
HETATM   66  C   UNL     1      12.158  98.055   3.346  1.00  0.00           C  
HETATM   67  C   UNL     1      14.240  99.082   2.433  1.00  0.00           C  
HETATM   68  O   UNL     1      14.303  97.859   1.680  1.00  0.00           O  
HETATM   69  C   UNL     1      13.794  99.041   1.003  1.00  0.00           C  
HETATM   70  C   UNL     1      15.434  99.730   2.725  1.00  0.00           C  
HETATM   71  C   UNL     1      16.519  99.611   1.865  1.00  0.00           C  
HETATM   72  C   UNL     1      17.714 100.259   2.158  1.00  0.00           C  
HETATM   73  O   UNL     1      17.810 100.938   3.178  1.00  0.00           O  
HETATM   74  H   UNL     1      20.478 112.182   3.142  1.00  0.00           H  
HETATM   75  H   UNL     1      20.937 111.456   1.564  1.00  0.00           H  
HETATM   76  H   UNL     1      19.241 111.971   1.856  1.00  0.00           H  
HETATM   77  H   UNL     1      19.013 110.226   3.615  1.00  0.00           H  
HETATM   78  H   UNL     1      19.104 108.246   2.109  1.00  0.00           H  
HETATM   79  H   UNL     1      18.442 109.681   1.255  1.00  0.00           H  
HETATM   80  H   UNL     1      20.138 109.165   0.963  1.00  0.00           H  
HETATM   81  H   UNL     1      21.394 110.194   4.324  1.00  0.00           H  
HETATM   82  H   UNL     1      20.063 108.298   4.655  1.00  0.00           H  
HETATM   83  H   UNL     1      22.041 110.225   1.707  1.00  0.00           H  
HETATM   84  H   UNL     1      23.573 110.600   3.633  1.00  0.00           H  
HETATM   85  H   UNL     1      23.667 108.826   3.902  1.00  0.00           H  
HETATM   86  H   UNL     1      24.332 109.543   2.395  1.00  0.00           H  
HETATM   87  H   UNL     1      23.217 107.298   3.301  1.00  0.00           H  
HETATM   88  H   UNL     1      23.367 105.689   0.987  1.00  0.00           H  
HETATM   89  H   UNL     1      24.352 104.319   2.448  1.00  0.00           H  
HETATM   90  H   UNL     1      24.526 105.017   4.830  1.00  0.00           H  
HETATM   91  H   UNL     1      24.729 106.412   3.717  1.00  0.00           H  
HETATM   92  H   UNL     1      23.175 106.174   4.586  1.00  0.00           H  
HETATM   93  H   UNL     1      20.761 105.963   3.539  1.00  0.00           H  
HETATM   94  H   UNL     1      19.183 104.057   1.902  1.00  0.00           H  
HETATM   95  H   UNL     1      18.830 106.982   1.717  1.00  0.00           H  
HETATM   96  H   UNL     1      19.155 105.435  -0.206  1.00  0.00           H  
HETATM   97  H   UNL     1      17.649 104.564   0.241  1.00  0.00           H  
HETATM   98  H   UNL     1      17.569 106.273  -0.308  1.00  0.00           H  
HETATM   99  H   UNL     1      16.163 105.875   1.614  1.00  0.00           H  
HETATM  100  H   UNL     1      16.869 105.487   3.219  1.00  0.00           H  
HETATM  101  H   UNL     1      15.733 107.703   3.250  1.00  0.00           H  
HETATM  102  H   UNL     1      17.500 107.877   3.519  1.00  0.00           H  
HETATM  103  H   UNL     1      16.794 108.265   1.914  1.00  0.00           H  
HETATM  104  H   UNL     1      18.238 102.713   3.387  1.00  0.00           H  
HETATM  105  H   UNL     1      16.967 104.116   5.682  1.00  0.00           H  
HETATM  106  H   UNL     1      17.632 100.806   6.452  1.00  0.00           H  
HETATM  107  H   UNL     1      15.980  98.986   6.209  1.00  0.00           H  
HETATM  108  H   UNL     1      13.590 101.492   3.696  1.00  0.00           H  
HETATM  109  H   UNL     1      15.242 103.312   3.940  1.00  0.00           H  
HETATM  110  H   UNL     1      16.637 104.411   7.043  1.00  0.00           H  
HETATM  111  H   UNL     1      16.715 103.802   8.731  1.00  0.00           H  
HETATM  112  H   UNL     1      17.731 105.197   8.231  1.00  0.00           H  
HETATM  113  H   UNL     1      19.135 103.343   9.490  1.00  0.00           H  
HETATM  114  H   UNL     1      18.879 100.926   7.866  1.00  0.00           H  
HETATM  115  H   UNL     1      20.525 101.069   8.571  1.00  0.00           H  
HETATM  116  H   UNL     1      20.524  99.584  10.263  1.00  0.00           H  
HETATM  117  H   UNL     1      19.638  98.924  12.472  1.00  0.00           H  
HETATM  118  H   UNL     1      17.591  99.992  13.351  1.00  0.00           H  
HETATM  119  H   UNL     1      16.435 101.725  12.024  1.00  0.00           H  
HETATM  120  H   UNL     1      17.324 102.386   9.815  1.00  0.00           H  
HETATM  121  H   UNL     1      19.943 105.294   7.571  1.00  0.00           H  
HETATM  122  H   UNL     1      22.655 105.502   8.099  1.00  0.00           H  
HETATM  123  H   UNL     1      21.660 106.208   5.324  1.00  0.00           H  
HETATM  124  H   UNL     1      23.027 108.035   5.848  1.00  0.00           H  
HETATM  125  H   UNL     1      20.658 108.262   6.308  1.00  0.00           H  
HETATM  126  H   UNL     1      19.838 106.778   6.900  1.00  0.00           H  
HETATM  127  H   UNL     1      21.009 107.639   7.955  1.00  0.00           H  
HETATM  128  H   UNL     1      21.021 103.207   5.948  1.00  0.00           H  
HETATM  129  H   UNL     1      23.520 101.772   5.694  1.00  0.00           H  
HETATM  130  H   UNL     1      22.353 100.225   4.298  1.00  0.00           H  
HETATM  131  H   UNL     1      21.193 100.762   5.560  1.00  0.00           H  
HETATM  132  H   UNL     1      18.727  99.585   0.461  1.00  0.00           H  
HETATM  133  H   UNL     1      20.849 100.520   0.882  1.00  0.00           H  
HETATM  134  H   UNL     1      19.930 101.917   1.538  1.00  0.00           H  
HETATM  135  H   UNL     1      12.638 100.156   3.386  1.00  0.00           H  
HETATM  136  H   UNL     1      11.382  98.138   4.121  1.00  0.00           H  
HETATM  137  H   UNL     1      11.691  98.114   2.352  1.00  0.00           H  
HETATM  138  H   UNL     1      12.678  97.091   3.450  1.00  0.00           H  
HETATM  139  H   UNL     1      14.391  99.533   0.221  1.00  0.00           H  
HETATM  140  H   UNL     1      12.726  99.120   0.752  1.00  0.00           H  
HETATM  141  H   UNL     1      15.519 100.327   3.621  1.00  0.00           H  
HETATM  142  H   UNL     1      16.434  99.015   0.969  1.00  0.00           H  
CONECT    1    2   74   75   76                                       
CONECT    2    3    1    4   77                                       
CONECT    3    2   78   79   80                                       
CONECT    4    6    2    5   81                                       
CONECT    5    4   82                                                 
CONECT    6    8    7    4   83                                       
CONECT    7    6   84   85   86                                       
CONECT    8    9    9    6   10                                       
CONECT    9    8    8                                                 
CONECT   10   11   87    8                                            
CONECT   11   10   12   14   88                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   89                                       
CONECT   15   14   57                                                 
CONECT   16   14   90   91   92                                       
CONECT   17   18   93   12                                            
CONECT   18   19   17   23   94                                       
CONECT   19   20   21   18   95                                       
CONECT   20   19   96   97   98                                       
CONECT   21   19   22   99  100                                       
CONECT   22   21  101  102  103                                       
CONECT   23   18   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   26  104   23                                            
CONECT   26   25   27   29  105                                       
CONECT   27   26   28   28   37                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   30   35                                       
CONECT   30   29   29   31  106                                       
CONECT   31   30   32   32  107                                       
CONECT   32   31   31   33   34                                       
CONECT   33   32   65                                                 
CONECT   34   32   35   35  108                                       
CONECT   35   29   34   34  109                                       
CONECT   36   37  110  111  112                                       
CONECT   37   36   38   27                                            
CONECT   38   37   39   41  113                                       
CONECT   39   38   40   40   48                                       
CONECT   40   39   39                                                 
CONECT   41   38   42  114  115                                       
CONECT   42   41   43   43   47                                       
CONECT   43   42   42   44  116                                       
CONECT   44   43   45   45  117                                       
CONECT   45   44   44   46  118                                       
CONECT   46   45   47   47  119                                       
CONECT   47   42   46   46  120                                       
CONECT   48   49  121   39                                            
CONECT   49   48   50   53  122                                       
CONECT   50   49   51   52  123                                       
CONECT   51   50  124                                                 
CONECT   52   50  125  126  127                                       
CONECT   53   49   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   56  128   53                                            
CONECT   56   55   57   59  129                                       
CONECT   57   56   58   58   15                                       
CONECT   58   57   57                                                 
CONECT   59   56   60  130  131                                       
CONECT   60   59   63                                                 
CONECT   61   62  132   72                                            
CONECT   62   61   63  133  134                                       
CONECT   63   62   64   64   60                                       
CONECT   64   63   63                                                 
CONECT   65   67   66  135   33                                       
CONECT   66   65  136  137  138                                       
CONECT   67   69   68   70   65                                       
CONECT   68   69   67                                                 
CONECT   69   68   67  139  140                                       
CONECT   70   71   71   67  141                                       
CONECT   71   72   70   70  142                                       
CONECT   72   71   73   73   61                                       
CONECT   73   72   72                                                 
CONECT   74    1                                                      
CONECT   75    1                                                      
CONECT   76    1                                                      
CONECT   77    2                                                      
CONECT   78    3                                                      
CONECT   79    3                                                      
CONECT   80    3                                                      
CONECT   81    4                                                      
CONECT   82    5                                                      
CONECT   83    6                                                      
CONECT   84    7                                                      
CONECT   85    7                                                      
CONECT   86    7                                                      
CONECT   87   10                                                      
CONECT   88   11                                                      
CONECT   89   14                                                      
CONECT   90   16                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   18                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   22                                                      
CONECT  104   25                                                      
CONECT  105   26                                                      
CONECT  106   30                                                      
CONECT  107   31                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   38                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   45                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   48                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   51                                                      
CONECT  125   52                                                      
CONECT  126   52                                                      
CONECT  127   52                                                      
CONECT  128   55                                                      
CONECT  129   56                                                      
CONECT  130   59                                                      
CONECT  131   59                                                      
CONECT  132   61                                                      
CONECT  133   62                                                      
CONECT  134   62                                                      
CONECT  135   65                                                      
CONECT  136   66                                                      
CONECT  137   66                                                      
CONECT  138   66                                                      
CONECT  139   69                                                      
CONECT  140   69                                                      
CONECT  141   70                                                      
CONECT  142   71                                                      
MASTER        0    0    0    0    0    0    0    0  142    0  142    0
END
