COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.637   1.184  -0.565  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.905   0.175  -0.606  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.978   0.939   0.210  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.753  -0.681   1.246  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.532   2.365   0.470  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.845   2.527   1.879  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.403   3.362   0.055  1.00  0.00           C  
HETATM    8  O   UNL     1      -8.913   1.843   1.445  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.193   2.475   0.168  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.496   4.244  -0.184  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.803   2.828  -0.289  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.972   2.515  -2.402  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.688   2.500  -1.776  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.161   0.959  -0.763  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.055   1.140  -1.892  1.00  0.00           C  
HETATM   16  O   UNL     1       0.098  -0.342  -2.030  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.993  -0.021  -1.933  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.546  -1.197  -0.470  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.751   0.011  -0.595  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.681  -2.378  -0.589  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.802   3.635  -2.319  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.565   3.112  -2.809  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.561   4.530  -1.117  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.685   5.356  -1.012  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.770  -0.623   0.039  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.762  -1.446  -0.742  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.623  -2.259   0.226  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.630  -3.095  -0.566  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.491  -3.909   0.402  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.498  -4.745  -0.391  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.360  -5.558   0.577  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.367  -6.394  -0.215  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.102   2.228   2.264  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.491   2.369   3.674  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.486   2.848   4.689  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.732   2.074   4.055  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.738   1.595   3.039  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.598   3.850  -1.382  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.088   0.176  -0.954  1.00  0.00           C  
HETATM   40  C   UNL     1       0.885  -0.058   0.173  1.00  0.00           C  
HETATM   41  C   UNL     1       2.008  -0.980  -0.306  1.00  0.00           C  
HETATM   42  C   UNL     1       2.996  -1.217   0.838  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.763   0.091   0.570  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.885  -2.365  -0.479  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.643  -3.662  -0.353  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.532   4.402  -3.423  1.00  0.00           C  
HETATM   47  C   UNL     1      18.394  -0.571   1.569  1.00  0.00           C  
HETATM   48  C   UNL     1      17.989   0.818   1.072  1.00  0.00           C  
HETATM   49  C   UNL     1      17.662   1.712   2.270  1.00  0.00           C  
HETATM   50  C   UNL     1      19.143   1.432   0.278  1.00  0.00           C  
HETATM   51  O   UNL     1      16.820   0.706   0.218  1.00  0.00           O  
HETATM   52  C   UNL     1      15.709   0.181   0.769  1.00  0.00           C  
HETATM   53  O   UNL     1      15.717  -0.174   1.931  1.00  0.00           O  
HETATM   54  N   UNL     1      14.589   0.048   0.031  1.00  0.00           N  
HETATM   55  C   UNL     1      13.380  -0.523   0.631  1.00  0.00           C  
HETATM   56  C   UNL     1      12.263  -0.561  -0.413  1.00  0.00           C  
HETATM   57  C   UNL     1      11.000  -1.158   0.213  1.00  0.00           C  
HETATM   58  C   UNL     1       9.882  -1.195  -0.831  1.00  0.00           C  
HETATM   59  C   UNL     1       8.620  -1.792  -0.205  1.00  0.00           C  
HETATM   60  C   UNL     1       7.502  -1.830  -1.249  1.00  0.00           C  
HETATM   61  C   UNL     1       6.259  -2.417  -0.633  1.00  0.00           C  
HETATM   62  C   UNL     1       5.243  -1.587  -0.200  1.00  0.00           C  
HETATM   63  C   UNL     1       4.102  -2.126   0.366  1.00  0.00           C  
HETATM   64  C   UNL     1       3.975  -3.496   0.500  1.00  0.00           C  
HETATM   65  C   UNL     1       4.988  -4.330   0.069  1.00  0.00           C  
HETATM   66  C   UNL     1       6.131  -3.793  -0.504  1.00  0.00           C  
HETATM   67  O   UNL     1       7.127  -4.612  -0.934  1.00  0.00           O  
HETATM   68  H   UNL     1      -4.885   1.444  -1.594  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.786   0.424   1.151  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.423   2.536  -0.133  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.072   2.248   0.274  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.951   2.313  -3.348  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.457   1.120  -2.803  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.679   0.080  -2.774  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.434  -0.953  -2.012  1.00  0.00           H  
HETATM   76  H   UNL     1       0.033   3.785  -3.163  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.400  -0.785  -1.329  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.227  -2.122  -1.409  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.985  -2.920   0.813  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.158  -1.583   0.894  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.268  -2.435  -1.153  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.096  -3.772  -1.233  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.853  -4.569   0.989  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.026  -3.233   1.069  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.137  -4.084  -0.978  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.964  -5.421  -1.058  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.722  -6.219   1.164  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.894  -4.882   1.245  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.980  -6.974   0.474  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.005  -5.734  -0.802  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.833  -7.071  -0.882  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.528   3.935   4.758  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.716   2.412   5.662  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.485   2.542   4.382  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.018   2.177   5.091  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.872   2.359   2.273  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.378   0.676   2.577  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.691   1.405   3.534  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.455   4.522  -1.425  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.704   4.380  -1.711  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.774   2.995  -2.036  1.00  0.00           H  
HETATM  102  H   UNL     1       1.308   0.895   0.491  1.00  0.00           H  
HETATM  103  H   UNL     1       0.366  -0.523   1.011  1.00  0.00           H  
HETATM  104  H   UNL     1       1.585  -1.933  -0.625  1.00  0.00           H  
HETATM  105  H   UNL     1       2.528  -0.515  -1.144  1.00  0.00           H  
HETATM  106  H   UNL     1       3.419  -0.265   1.156  1.00  0.00           H  
HETATM  107  H   UNL     1       2.477  -1.683   1.676  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.170  -0.442   1.429  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.817  -0.364   0.275  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.597   1.135   0.835  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.709  -3.452  -0.264  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.465  -4.274  -1.237  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.303  -4.197   0.534  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.451   4.830  -3.022  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.891   5.201  -3.796  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.775   3.721  -4.239  1.00  0.00           H  
HETATM  117  H   UNL     1      17.571  -1.008   2.135  1.00  0.00           H  
HETATM  118  H   UNL     1      18.627  -1.208   0.716  1.00  0.00           H  
HETATM  119  H   UNL     1      19.271  -0.487   2.210  1.00  0.00           H  
HETATM  120  H   UNL     1      18.539   1.797   2.910  1.00  0.00           H  
HETATM  121  H   UNL     1      17.374   2.702   1.916  1.00  0.00           H  
HETATM  122  H   UNL     1      16.839   1.275   2.836  1.00  0.00           H  
HETATM  123  H   UNL     1      19.377   0.795  -0.576  1.00  0.00           H  
HETATM  124  H   UNL     1      18.855   2.422  -0.076  1.00  0.00           H  
HETATM  125  H   UNL     1      20.021   1.516   0.918  1.00  0.00           H  
HETATM  126  H   UNL     1      14.583   0.331  -0.896  1.00  0.00           H  
HETATM  127  H   UNL     1      13.590  -1.536   0.976  1.00  0.00           H  
HETATM  128  H   UNL     1      13.068   0.091   1.475  1.00  0.00           H  
HETATM  129  H   UNL     1      12.053   0.452  -0.758  1.00  0.00           H  
HETATM  130  H   UNL     1      12.575  -1.175  -1.258  1.00  0.00           H  
HETATM  131  H   UNL     1      11.210  -2.170   0.558  1.00  0.00           H  
HETATM  132  H   UNL     1      10.688  -0.543   1.057  1.00  0.00           H  
HETATM  133  H   UNL     1       9.673  -0.183  -1.176  1.00  0.00           H  
HETATM  134  H   UNL     1      10.194  -1.810  -1.676  1.00  0.00           H  
HETATM  135  H   UNL     1       8.829  -2.804   0.140  1.00  0.00           H  
HETATM  136  H   UNL     1       8.308  -1.177   0.639  1.00  0.00           H  
HETATM  137  H   UNL     1       7.293  -0.817  -1.594  1.00  0.00           H  
HETATM  138  H   UNL     1       7.814  -2.444  -2.094  1.00  0.00           H  
HETATM  139  H   UNL     1       5.341  -0.516  -0.303  1.00  0.00           H  
HETATM  140  H   UNL     1       3.083  -3.914   0.942  1.00  0.00           H  
HETATM  141  H   UNL     1       4.888  -5.401   0.174  1.00  0.00           H  
HETATM  142  H   UNL     1       7.792  -4.810  -0.261  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.343   4.201   0.748  1.00  0.00           H  
HETATM  144  H   UNL     1      -4.106   2.200   1.219  1.00  0.00           H  
CONECT    1    3    9   19   68                                       
CONECT    2    3   25                                                 
CONECT    3    1    2    5   69                                       
CONECT    4   25   25                                                 
CONECT    5    3    6    7   70                                       
CONECT    6    5   33                                                 
CONECT    7    5    9   38  143                                       
CONECT    8   33   33                                                 
CONECT    9    1    7   11  144                                       
CONECT   10   11   23                                                 
CONECT   11    9   10   13   71                                       
CONECT   12   13   72                                                 
CONECT   13   11   12   15   21                                       
CONECT   14   15   39                                                 
CONECT   15   13   14   17   73                                       
CONECT   16   39   39                                                 
CONECT   17   15   19   74   75                                       
CONECT   18   19   44                                                 
CONECT   19    1   17   18   43                                       
CONECT   20   44   44                                                 
CONECT   21   13   22   23   46                                       
CONECT   22   21   76                                                 
CONECT   23   10   21   24   24                                       
CONECT   24   23   23                                                 
CONECT   25    2    4    4   26                                       
CONECT   26   25   27   77   78                                       
CONECT   27   26   28   79   80                                       
CONECT   28   27   29   81   82                                       
CONECT   29   28   30   83   84                                       
CONECT   30   29   31   85   86                                       
CONECT   31   30   32   87   88                                       
CONECT   32   31   89   90   91                                       
CONECT   33    6    8    8   34                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   92   93   94                                       
CONECT   36   34   34   37   95                                       
CONECT   37   36   96   97   98                                       
CONECT   38    7   99  100  101                                       
CONECT   39   14   16   16   40                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40   42  104  105                                       
CONECT   42   41   63  106  107                                       
CONECT   43   19  108  109  110                                       
CONECT   44   18   20   20   45                                       
CONECT   45   44  111  112  113                                       
CONECT   46   21  114  115  116                                       
CONECT   47   48  117  118  119                                       
CONECT   48   47   49   50   51                                       
CONECT   49   48  120  121  122                                       
CONECT   50   48  123  124  125                                       
CONECT   51   48   52                                                 
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   55  126                                            
CONECT   55   54   56  127  128                                       
CONECT   56   55   57  129  130                                       
CONECT   57   56   58  131  132                                       
CONECT   58   57   59  133  134                                       
CONECT   59   58   60  135  136                                       
CONECT   60   59   61  137  138                                       
CONECT   61   60   62   62   66                                       
CONECT   62   61   61   63  139                                       
CONECT   63   42   62   64   64                                       
CONECT   64   63   63   65  140                                       
CONECT   65   64   66   66  141                                       
CONECT   66   61   65   65   67                                       
CONECT   67   66  142                                                 
CONECT   68    1                                                      
CONECT   69    3                                                      
CONECT   70    5                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   22                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   45                                                      
CONECT  112   45                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   47                                                      
CONECT  120   49                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   50                                                      
CONECT  125   50                                                      
CONECT  126   54                                                      
CONECT  127   55                                                      
CONECT  128   55                                                      
CONECT  129   56                                                      
CONECT  130   56                                                      
CONECT  131   57                                                      
CONECT  132   57                                                      
CONECT  133   58                                                      
CONECT  134   58                                                      
CONECT  135   59                                                      
CONECT  136   59                                                      
CONECT  137   60                                                      
CONECT  138   60                                                      
CONECT  139   62                                                      
CONECT  140   64                                                      
CONECT  141   65                                                      
CONECT  142   67                                                      
CONECT  143    7                                                      
CONECT  144    9                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
