COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      17.756   1.730   2.430  1.00  0.00           O  
HETATM    2  C   UNL     1      17.900   2.699   1.390  1.00  0.00           C  
HETATM    3  C   UNL     1      18.759   3.864   1.892  1.00  0.00           C  
HETATM    4  O   UNL     1      20.072   3.392   2.200  1.00  0.00           O  
HETATM    5  C   UNL     1      18.842   4.931   0.796  1.00  0.00           C  
HETATM    6  O   UNL     1      19.496   4.387  -0.352  1.00  0.00           O  
HETATM    7  C   UNL     1      17.426   5.374   0.417  1.00  0.00           C  
HETATM    8  C   UNL     1      17.498   6.397  -0.719  1.00  0.00           C  
HETATM    9  O   UNL     1      16.188   6.896  -0.993  1.00  0.00           O  
HETATM   10  O   UNL     1      16.672   4.238  -0.011  1.00  0.00           O  
HETATM   11  C   UNL     1      16.521   3.227   0.988  1.00  0.00           C  
HETATM   12  O   UNL     1      15.733   2.155   0.466  1.00  0.00           O  
HETATM   13  C   UNL     1      14.385   2.519   0.163  1.00  0.00           C  
HETATM   14  C   UNL     1      13.639   1.301  -0.385  1.00  0.00           C  
HETATM   15  C   UNL     1      12.196   1.690  -0.710  1.00  0.00           C  
HETATM   16  C   UNL     1      11.461   0.490  -1.250  1.00  0.00           C  
HETATM   17  C   UNL     1      10.306  -0.033  -0.777  1.00  0.00           C  
HETATM   18  N   UNL     1      11.819  -0.264  -2.295  1.00  0.00           N  
HETATM   19  N   UNL     1      10.947  -1.196  -2.455  1.00  0.00           N  
HETATM   20  N   UNL     1      10.022  -1.095  -1.566  1.00  0.00           N  
HETATM   21  C   UNL     1       8.861  -1.979  -1.431  1.00  0.00           C  
HETATM   22  C   UNL     1       7.662  -1.362  -2.157  1.00  0.00           C  
HETATM   23  O   UNL     1       6.516  -2.196  -1.975  1.00  0.00           O  
HETATM   24  C   UNL     1       7.976  -1.243  -3.649  1.00  0.00           C  
HETATM   25  O   UNL     1       6.905  -0.563  -4.308  1.00  0.00           O  
HETATM   26  C   UNL     1       8.517  -2.150   0.052  1.00  0.00           C  
HETATM   27  O   UNL     1       9.603  -2.793   0.723  1.00  0.00           O  
HETATM   28  C   UNL     1       7.257  -3.011   0.176  1.00  0.00           C  
HETATM   29  O   UNL     1       6.885  -3.118   1.552  1.00  0.00           O  
HETATM   30  C   UNL     1       6.120  -2.355  -0.612  1.00  0.00           C  
HETATM   31  C   UNL     1       4.892  -3.226  -0.543  1.00  0.00           C  
HETATM   32  C   UNL     1       3.660  -2.857  -0.123  1.00  0.00           C  
HETATM   33  N   UNL     1       4.805  -4.515  -0.891  1.00  0.00           N  
HETATM   34  N   UNL     1       3.599  -4.918  -0.695  1.00  0.00           N  
HETATM   35  N   UNL     1       2.879  -3.956  -0.234  1.00  0.00           N  
HETATM   36  C   UNL     1       1.456  -4.037   0.107  1.00  0.00           C  
HETATM   37  C   UNL     1       0.617  -3.556  -1.080  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.767  -3.581  -0.724  1.00  0.00           O  
HETATM   39  C   UNL     1       0.853  -4.478  -2.278  1.00  0.00           C  
HETATM   40  O   UNL     1       0.160  -3.965  -3.417  1.00  0.00           O  
HETATM   41  C   UNL     1       1.169  -3.145   1.319  1.00  0.00           C  
HETATM   42  O   UNL     1       1.893  -3.631   2.452  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.332  -3.177   1.619  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.622  -2.292   2.703  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.102  -2.730   0.373  1.00  0.00           C  
HETATM   46  N   UNL     1      -2.542  -2.812   0.633  1.00  0.00           N  
HETATM   47  C   UNL     1      -3.432  -1.803   0.491  1.00  0.00           C  
HETATM   48  N   UNL     1      -3.178  -3.858   1.030  1.00  0.00           N  
HETATM   49  N   UNL     1      -4.430  -3.593   1.162  1.00  0.00           N  
HETATM   50  C   UNL     1      -4.638  -2.313   0.835  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.956  -1.582   0.846  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.968  -2.341  -0.016  1.00  0.00           C  
HETATM   53  O   UNL     1      -6.511  -2.376  -1.369  1.00  0.00           O  
HETATM   54  C   UNL     1      -8.321  -1.625   0.050  1.00  0.00           C  
HETATM   55  O   UNL     1      -9.290  -2.367  -0.693  1.00  0.00           O  
HETATM   56  O   UNL     1      -6.443  -1.498   2.187  1.00  0.00           O  
HETATM   57  C   UNL     1      -7.681  -0.798   2.316  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.088  -0.747   3.790  1.00  0.00           C  
HETATM   59  O   UNL     1      -7.137   0.031   4.520  1.00  0.00           O  
HETATM   60  C   UNL     1      -8.763  -1.525   1.513  1.00  0.00           C  
HETATM   61  N   UNL     1     -10.020  -0.777   1.594  1.00  0.00           N  
HETATM   62  C   UNL     1     -10.380   0.257   0.800  1.00  0.00           C  
HETATM   63  N   UNL     1     -10.974  -0.994   2.431  1.00  0.00           N  
HETATM   64  N   UNL     1     -11.934  -0.161   2.235  1.00  0.00           N  
HETATM   65  C   UNL     1     -11.606   0.646   1.220  1.00  0.00           C  
HETATM   66  C   UNL     1     -12.440   1.766   0.652  1.00  0.00           C  
HETATM   67  C   UNL     1     -13.816   1.226   0.255  1.00  0.00           C  
HETATM   68  C   UNL     1     -14.663   2.363  -0.321  1.00  0.00           C  
HETATM   69  O   UNL     1     -15.948   1.859  -0.691  1.00  0.00           O  
HETATM   70  C   UNL     1     -16.822   2.845  -1.244  1.00  0.00           C  
HETATM   71  O   UNL     1     -17.129   3.822  -0.246  1.00  0.00           O  
HETATM   72  C   UNL     1     -17.981   4.874  -0.703  1.00  0.00           C  
HETATM   73  C   UNL     1     -18.218   5.869   0.435  1.00  0.00           C  
HETATM   74  O   UNL     1     -16.984   6.503   0.777  1.00  0.00           O  
HETATM   75  C   UNL     1     -19.321   4.285  -1.154  1.00  0.00           C  
HETATM   76  O   UNL     1     -19.966   3.661  -0.042  1.00  0.00           O  
HETATM   77  C   UNL     1     -19.070   3.246  -2.251  1.00  0.00           C  
HETATM   78  O   UNL     1     -20.308   2.640  -2.628  1.00  0.00           O  
HETATM   79  C   UNL     1     -18.114   2.175  -1.716  1.00  0.00           C  
HETATM   80  O   UNL     1     -17.816   1.240  -2.754  1.00  0.00           O  
HETATM   81  H   UNL     1      17.222   0.962   2.182  1.00  0.00           H  
HETATM   82  H   UNL     1      18.380   2.238   0.527  1.00  0.00           H  
HETATM   83  H   UNL     1      18.306   4.292   2.786  1.00  0.00           H  
HETATM   84  H   UNL     1      20.094   2.708   2.883  1.00  0.00           H  
HETATM   85  H   UNL     1      19.406   5.788   1.165  1.00  0.00           H  
HETATM   86  H   UNL     1      20.397   4.082  -0.183  1.00  0.00           H  
HETATM   87  H   UNL     1      16.942   5.826   1.283  1.00  0.00           H  
HETATM   88  H   UNL     1      18.147   7.221  -0.424  1.00  0.00           H  
HETATM   89  H   UNL     1      17.900   5.919  -1.612  1.00  0.00           H  
HETATM   90  H   UNL     1      16.157   7.550  -1.705  1.00  0.00           H  
HETATM   91  H   UNL     1      16.025   3.651   1.862  1.00  0.00           H  
HETATM   92  H   UNL     1      13.891   2.870   1.069  1.00  0.00           H  
HETATM   93  H   UNL     1      14.382   3.313  -0.583  1.00  0.00           H  
HETATM   94  H   UNL     1      14.133   0.950  -1.291  1.00  0.00           H  
HETATM   95  H   UNL     1      13.642   0.506   0.361  1.00  0.00           H  
HETATM   96  H   UNL     1      11.701   2.041   0.196  1.00  0.00           H  
HETATM   97  H   UNL     1      12.192   2.484  -1.456  1.00  0.00           H  
HETATM   98  H   UNL     1       9.727   0.325   0.062  1.00  0.00           H  
HETATM   99  H   UNL     1       9.091  -2.951  -1.867  1.00  0.00           H  
HETATM  100  H   UNL     1       7.460  -0.372  -1.747  1.00  0.00           H  
HETATM  101  H   UNL     1       8.900  -0.680  -3.783  1.00  0.00           H  
HETATM  102  H   UNL     1       8.091  -2.239  -4.077  1.00  0.00           H  
HETATM  103  H   UNL     1       7.036  -0.451  -5.260  1.00  0.00           H  
HETATM  104  H   UNL     1       8.337  -1.173   0.500  1.00  0.00           H  
HETATM  105  H   UNL     1       9.453  -2.933   1.668  1.00  0.00           H  
HETATM  106  H   UNL     1       7.453  -4.005  -0.226  1.00  0.00           H  
HETATM  107  H   UNL     1       6.093  -3.651   1.705  1.00  0.00           H  
HETATM  108  H   UNL     1       5.897  -1.378  -0.182  1.00  0.00           H  
HETATM  109  H   UNL     1       3.360  -1.881   0.230  1.00  0.00           H  
HETATM  110  H   UNL     1       1.196  -5.069   0.344  1.00  0.00           H  
HETATM  111  H   UNL     1       0.907  -2.539  -1.342  1.00  0.00           H  
HETATM  112  H   UNL     1       1.920  -4.529  -2.493  1.00  0.00           H  
HETATM  113  H   UNL     1       0.481  -5.477  -2.046  1.00  0.00           H  
HETATM  114  H   UNL     1       0.266  -4.500  -4.216  1.00  0.00           H  
HETATM  115  H   UNL     1       1.476  -2.122   1.101  1.00  0.00           H  
HETATM  116  H   UNL     1       1.758  -3.113   3.257  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.629  -4.191   1.887  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.557  -2.262   2.947  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.835  -1.701   0.131  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.223  -0.794   0.169  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.818  -0.578   0.446  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.076  -3.359   0.360  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.656  -2.812  -1.485  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.225  -0.625  -0.373  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.071  -2.475  -1.628  1.00  0.00           H  
HETATM  126  H   UNL     1      -7.566   0.217   1.935  1.00  0.00           H  
HETATM  127  H   UNL     1      -9.075  -0.292   3.879  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.117  -1.759   4.194  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.332   0.106   5.464  1.00  0.00           H  
HETATM  130  H   UNL     1      -8.908  -2.526   1.920  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.804   0.686  -0.007  1.00  0.00           H  
HETATM  132  H   UNL     1     -12.559   2.547   1.403  1.00  0.00           H  
HETATM  133  H   UNL     1     -11.945   2.179  -0.226  1.00  0.00           H  
HETATM  134  H   UNL     1     -13.697   0.445  -0.496  1.00  0.00           H  
HETATM  135  H   UNL     1     -14.311   0.813   1.134  1.00  0.00           H  
HETATM  136  H   UNL     1     -14.782   3.144   0.430  1.00  0.00           H  
HETATM  137  H   UNL     1     -14.167   2.776  -1.199  1.00  0.00           H  
HETATM  138  H   UNL     1     -16.334   3.331  -2.089  1.00  0.00           H  
HETATM  139  H   UNL     1     -17.509   5.386  -1.542  1.00  0.00           H  
HETATM  140  H   UNL     1     -18.937   6.623   0.114  1.00  0.00           H  
HETATM  141  H   UNL     1     -18.608   5.340   1.304  1.00  0.00           H  
HETATM  142  H   UNL     1     -17.059   7.149   1.493  1.00  0.00           H  
HETATM  143  H   UNL     1     -19.955   5.081  -1.544  1.00  0.00           H  
HETATM  144  H   UNL     1     -20.822   3.266  -0.255  1.00  0.00           H  
HETATM  145  H   UNL     1     -18.623   3.733  -3.118  1.00  0.00           H  
HETATM  146  H   UNL     1     -20.223   1.971  -3.320  1.00  0.00           H  
HETATM  147  H   UNL     1     -18.582   1.656  -0.879  1.00  0.00           H  
HETATM  148  H   UNL     1     -17.215   0.532  -2.485  1.00  0.00           H  
CONECT    1    2   81                                                 
CONECT    2   11    3    1   82                                       
CONECT    3    5    2    4   83                                       
CONECT    4    3   84                                                 
CONECT    5    7    6    3   85                                       
CONECT    6    5   86                                                 
CONECT    7    8   10    5   87                                       
CONECT    8    9    7   88   89                                       
CONECT    9    8   90                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12    2   91                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   92   93                                       
CONECT   14   13   15   94   95                                       
CONECT   15   14   16   96   97                                       
CONECT   16   18   15   17   17                                       
CONECT   17   20   16   16   98                                       
CONECT   18   19   19   16                                            
CONECT   19   18   18   20                                            
CONECT   20   19   21   17                                            
CONECT   21   22   20   26   99                                       
CONECT   22   24   23   21  100                                       
CONECT   23   22   30                                                 
CONECT   24   25   22  101  102                                       
CONECT   25   24  103                                                 
CONECT   26   21   28   27  104                                       
CONECT   27   26  105                                                 
CONECT   28   30   26   29  106                                       
CONECT   29   28  107                                                 
CONECT   30   23   31   28  108                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31   35  109                                       
CONECT   33   31   34   34                                            
CONECT   34   33   33   35                                            
CONECT   35   32   36   34                                            
CONECT   36   37   35   41  110                                       
CONECT   37   39   38   36  111                                       
CONECT   38   37   45                                                 
CONECT   39   40   37  112  113                                       
CONECT   40   39  114                                                 
CONECT   41   36   43   42  115                                       
CONECT   42   41  116                                                 
CONECT   43   45   41   44  117                                       
CONECT   44   43  118                                                 
CONECT   45   38   46   43  119                                       
CONECT   46   48   45   47                                            
CONECT   47   46   50   50  120                                       
CONECT   48   49   49   46                                            
CONECT   49   48   48   50                                            
CONECT   50   49   47   47   51                                       
CONECT   51   56   50   52  121                                       
CONECT   52   51   54   53  122                                       
CONECT   53   52  123                                                 
CONECT   54   60   52   55  124                                       
CONECT   55   54  125                                                 
CONECT   56   57   51                                                 
CONECT   57   58   56   60  126                                       
CONECT   58   59   57  127  128                                       
CONECT   59   58  129                                                 
CONECT   60   57   61   54  130                                       
CONECT   61   62   60   63                                            
CONECT   62   65   65   61  131                                       
CONECT   63   61   64   64                                            
CONECT   64   65   63   63                                            
CONECT   65   66   62   62   64                                       
CONECT   66   65   67  132  133                                       
CONECT   67   66   68  134  135                                       
CONECT   68   69   67  136  137                                       
CONECT   69   70   68                                                 
CONECT   70   79   69   71  138                                       
CONECT   71   70   72                                                 
CONECT   72   75   71   73  139                                       
CONECT   73   72   74  140  141                                       
CONECT   74   73  142                                                 
CONECT   75   77   76   72  143                                       
CONECT   76   75  144                                                 
CONECT   77   78   79   75  145                                       
CONECT   78   77  146                                                 
CONECT   79   80   77   70  147                                       
CONECT   80   79  148                                                 
CONECT   81    1                                                      
CONECT   82    2                                                      
CONECT   83    3                                                      
CONECT   84    4                                                      
CONECT   85    5                                                      
CONECT   86    6                                                      
CONECT   87    7                                                      
CONECT   88    8                                                      
CONECT   89    8                                                      
CONECT   90    9                                                      
CONECT   91   11                                                      
CONECT   92   13                                                      
CONECT   93   13                                                      
CONECT   94   14                                                      
CONECT   95   14                                                      
CONECT   96   15                                                      
CONECT   97   15                                                      
CONECT   98   17                                                      
CONECT   99   21                                                      
CONECT  100   22                                                      
CONECT  101   24                                                      
CONECT  102   24                                                      
CONECT  103   25                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   28                                                      
CONECT  107   29                                                      
CONECT  108   30                                                      
CONECT  109   32                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   39                                                      
CONECT  113   39                                                      
CONECT  114   40                                                      
CONECT  115   41                                                      
CONECT  116   42                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   47                                                      
CONECT  121   51                                                      
CONECT  122   52                                                      
CONECT  123   53                                                      
CONECT  124   54                                                      
CONECT  125   55                                                      
CONECT  126   57                                                      
CONECT  127   58                                                      
CONECT  128   58                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   62                                                      
CONECT  132   66                                                      
CONECT  133   66                                                      
CONECT  134   67                                                      
CONECT  135   67                                                      
CONECT  136   68                                                      
CONECT  137   68                                                      
CONECT  138   70                                                      
CONECT  139   72                                                      
CONECT  140   73                                                      
CONECT  141   73                                                      
CONECT  142   74                                                      
CONECT  143   75                                                      
CONECT  144   76                                                      
CONECT  145   77                                                      
CONECT  146   78                                                      
CONECT  147   79                                                      
CONECT  148   80                                                      
MASTER        0    0    0    0    0    0    0    0  148    0  148    0
END
