COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.539   4.407  -1.992  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.715   2.345  -2.328  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.306   4.733  -0.669  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.394   6.049  -0.255  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.715   7.039  -1.164  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.948   6.714  -2.487  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.861   5.398  -2.901  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.437   2.974  -2.444  1.00  0.00           C  
HETATM    9  C   UNL     1       9.652   1.168  -1.106  1.00  0.00           C  
HETATM   10  C   UNL     1      10.689   0.334  -1.900  1.00  0.00           C  
HETATM   11  O   UNL     1      11.575   1.184  -2.631  1.00  0.00           O  
HETATM   12  C   UNL     1       9.786  -0.479  -2.859  1.00  0.00           C  
HETATM   13  O   UNL     1       9.729   0.147  -4.142  1.00  0.00           O  
HETATM   14  C   UNL     1       8.401  -0.454  -2.185  1.00  0.00           C  
HETATM   15  O   UNL     1       8.541   0.260  -0.945  1.00  0.00           O  
HETATM   16  C   UNL     1       7.931  -1.884  -1.911  1.00  0.00           C  
HETATM   17  O   UNL     1       6.599  -1.857  -1.393  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.718  -1.289  -2.136  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.633   0.037  -1.756  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.964  -1.617  -3.456  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.797   1.040  -2.700  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.128  -0.621  -4.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.044   0.708  -4.026  1.00  0.00           C  
HETATM   24  C   UNL     1      10.979   2.652   0.458  1.00  0.00           C  
HETATM   25  C   UNL     1      12.216   4.581   0.282  1.00  0.00           C  
HETATM   26  C   UNL     1      12.049   3.636   2.382  1.00  0.00           C  
HETATM   27  C   UNL     1      11.251   2.616   1.836  1.00  0.00           C  
HETATM   28  C   UNL     1      10.007   0.899   1.378  1.00  0.00           C  
HETATM   29  C   UNL     1       0.719  -3.314   1.170  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.461  -2.387   0.875  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.686  -2.853   1.665  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.874  -1.943   1.348  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.081  -2.370   2.186  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.143  -1.693   1.038  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.275  -3.268  -0.229  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.279  -1.159  -0.084  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.077  -0.600   0.626  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.281  -0.245   2.701  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.411   0.559   2.598  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.235   0.126   3.533  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.477   1.741   3.330  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.431   2.106   4.154  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.510   3.387   4.944  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.365   0.393  -0.316  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.987   1.765   0.024  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.004   1.472   1.150  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.175   1.704   5.161  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.311   1.301   4.257  1.00  0.00           C  
HETATM   49  F   UNL     1      -7.204   1.682  -4.948  1.00  0.00           F  
HETATM   50  N   UNL     1      10.193   1.558   0.199  1.00  0.00           N  
HETATM   51  N   UNL     1      11.477   3.644  -0.273  1.00  0.00           N  
HETATM   52  N   UNL     1      12.499   4.589   1.572  1.00  0.00           N  
HETATM   53  N   UNL     1      12.350   3.653   3.732  1.00  0.00           N  
HETATM   54  N   UNL     1      10.628   1.522   2.337  1.00  0.00           N  
HETATM   55  N   UNL     1      -5.186  -1.433   1.963  1.00  0.00           N  
HETATM   56  N   UNL     1      -6.261  -2.908   0.566  1.00  0.00           N  
HETATM   57  N   UNL     1      -8.300  -2.440  -0.490  1.00  0.00           N  
HETATM   58  N   UNL     1      -7.498   0.217   1.781  1.00  0.00           N  
HETATM   59  O   UNL     1       5.519  -4.071  -2.311  1.00  0.00           O  
HETATM   60  O   UNL     1       6.579  -3.976  -0.022  1.00  0.00           O  
HETATM   61  O   UNL     1       4.378  -2.777  -0.327  1.00  0.00           O  
HETATM   62  O   UNL     1       3.194  -4.947   0.181  1.00  0.00           O  
HETATM   63  O   UNL     1       3.846  -3.500   2.144  1.00  0.00           O  
HETATM   64  O   UNL     1       1.892  -2.812   0.525  1.00  0.00           O  
HETATM   65  O   UNL     1      -0.756  -2.420  -0.523  1.00  0.00           O  
HETATM   66  O   UNL     1      -1.401  -2.794   3.064  1.00  0.00           O  
HETATM   67  O   UNL     1      -3.197  -2.048  -0.041  1.00  0.00           O  
HETATM   68  O   UNL     1      -7.268  -4.377  -0.730  1.00  0.00           O  
HETATM   69  O   UNL     1      -9.238  -0.447  -0.292  1.00  0.00           O  
HETATM   70  O   UNL     1      -9.309   1.268   0.605  1.00  0.00           O  
HETATM   71  P   UNL     1       5.786  -3.188  -0.992  1.00  0.00           P  
HETATM   72  P   UNL     1       3.325  -3.540   0.621  1.00  0.00           P  
HETATM   73  H   UNL     1      -5.055   3.959   0.042  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.212   6.303   0.779  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.785   8.067  -0.840  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.200   7.488  -3.197  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.043   5.143  -3.934  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.110   2.943  -3.484  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.714   2.447  -1.821  1.00  0.00           H  
HETATM   80  H   UNL     1       9.350   2.047  -1.675  1.00  0.00           H  
HETATM   81  H   UNL     1      11.247  -0.327  -1.236  1.00  0.00           H  
HETATM   82  H   UNL     1      12.243   0.709  -3.144  1.00  0.00           H  
HETATM   83  H   UNL     1      10.151  -1.502  -2.950  1.00  0.00           H  
HETATM   84  H   UNL     1      10.585   0.212  -4.587  1.00  0.00           H  
HETATM   85  H   UNL     1       7.685   0.057  -2.828  1.00  0.00           H  
HETATM   86  H   UNL     1       7.948  -2.457  -2.838  1.00  0.00           H  
HETATM   87  H   UNL     1       8.594  -2.352  -1.183  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.586  -2.070  -1.401  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.029  -2.655  -3.750  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.320  -0.880  -5.431  1.00  0.00           H  
HETATM   91  H   UNL     1      12.606   5.372  -0.340  1.00  0.00           H  
HETATM   92  H   UNL     1       9.429  -0.005   1.498  1.00  0.00           H  
HETATM   93  H   UNL     1       0.887  -3.357   2.246  1.00  0.00           H  
HETATM   94  H   UNL     1       0.498  -4.314   0.796  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.206  -1.368   1.168  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.929  -3.878   1.387  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.615  -0.911   1.583  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.391  -3.373   1.893  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.810  -2.367   3.241  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.360  -0.502   3.615  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.348   2.374   3.253  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.965   3.188   5.914  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.506   3.787   5.089  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.115   4.113   4.400  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.293   0.401  -0.121  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.219   2.453   0.377  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.495   2.178  -0.847  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.462   2.309   4.601  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.564   2.283   5.999  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.676   0.810   5.538  1.00  0.00           H  
HETATM  111  H   UNL     1      12.009   2.956   4.314  1.00  0.00           H  
HETATM  112  H   UNL     1      12.902   4.363   4.097  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.068  -2.773  -0.980  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.992  -3.297  -0.854  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.176  -1.909   3.382  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.510  -2.924  -0.306  1.00  0.00           H  
HETATM  117  H   UNL     1       5.004  -3.617  -2.992  1.00  0.00           H  
HETATM  118  H   UNL     1       3.955  -2.607   2.499  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.662   2.033   0.132  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.016   2.286   1.875  1.00  0.00           H  
CONECT    1    3    3    7    8                                       
CONECT    2    8   21                                                 
CONECT    3    1    1    4   73                                       
CONECT    4    3    5    5   74                                       
CONECT    5    4    4    6   75                                       
CONECT    6    5    7    7   76                                       
CONECT    7    1    6    6   77                                       
CONECT    8    1    2   78   79                                       
CONECT    9   10   15   50   80                                       
CONECT   10    9   11   12   81                                       
CONECT   11   10   82                                                 
CONECT   12   10   13   14   83                                       
CONECT   13   12   84                                                 
CONECT   14   12   15   16   85                                       
CONECT   15    9   14                                                 
CONECT   16   14   17   86   87                                       
CONECT   17   16   71                                                 
CONECT   18   19   19   20   88                                       
CONECT   19   18   18   21   44                                       
CONECT   20   18   22   22   89                                       
CONECT   21    2   19   23   23                                       
CONECT   22   20   20   23   90                                       
CONECT   23   21   21   22   49                                       
CONECT   24   27   27   50   51                                       
CONECT   25   51   51   52   91                                       
CONECT   26   27   52   52   53                                       
CONECT   27   24   24   26   54                                       
CONECT   28   50   54   54   92                                       
CONECT   29   30   64   93   94                                       
CONECT   30   29   31   65   95                                       
CONECT   31   30   32   66   96                                       
CONECT   32   31   33   67   97                                       
CONECT   33   32   55   98   99                                       
CONECT   34   37   55   56   56                                       
CONECT   35   56   57   68   68                                       
CONECT   36   37   57   69   69                                       
CONECT   37   34   36   44   58                                       
CONECT   38   39   39   40   55                                       
CONECT   39   38   38   41   58                                       
CONECT   40   38   48   48  100                                       
CONECT   41   39   42   42  101                                       
CONECT   42   41   41   43   48                                       
CONECT   43   42  102  103  104                                       
CONECT   44   19   37   45  105                                       
CONECT   45   44   46  106  107                                       
CONECT   46   45   58   70  120                                       
CONECT   47   48  108  109  110                                       
CONECT   48   40   40   42   47                                       
CONECT   49   23                                                      
CONECT   50    9   24   28                                            
CONECT   51   24   25   25                                            
CONECT   52   25   26   26                                            
CONECT   53   26  111  112                                            
CONECT   54   27   28   28                                            
CONECT   55   33   34   38                                            
CONECT   56   34   34   35                                            
CONECT   57   35   36  113                                            
CONECT   58   37   39   46                                            
CONECT   59   71  117                                                 
CONECT   60   71   71                                                 
CONECT   61   71   72                                                 
CONECT   62   72   72                                                 
CONECT   63   72  118                                                 
CONECT   64   29   72                                                 
CONECT   65   30  114                                                 
CONECT   66   31  115                                                 
CONECT   67   32  116                                                 
CONECT   68   35   35                                                 
CONECT   69   36   36                                                 
CONECT   70   46  119                                                 
CONECT   71   17   59   60   60                                       
CONECT   71   61                                                      
CONECT   72   61   62   62   63                                       
CONECT   72   64                                                      
CONECT   73    3                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   11                                                      
CONECT   83   12                                                      
CONECT   84   13                                                      
CONECT   85   14                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   18                                                      
CONECT   89   20                                                      
CONECT   90   22                                                      
CONECT   91   25                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   43                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   57                                                      
CONECT  114   65                                                      
CONECT  115   66                                                      
CONECT  116   67                                                      
CONECT  117   59                                                      
CONECT  118   63                                                      
CONECT  119   70                                                      
CONECT  120   46                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
