COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.037   3.448  -2.475  1.00  0.00           C  
HETATM    2  C   UNL     1       1.558   3.285  -2.523  1.00  0.00           C  
HETATM    3  C   UNL     1       2.018   3.213  -3.980  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.040   4.852   1.042  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.409   3.580  -1.016  1.00  0.00           C  
HETATM    6  C   UNL     1     -17.048  -4.397   1.339  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.538  -4.559   1.157  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.897  -3.184   0.956  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.387  -3.347   0.773  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.746  -1.972   0.572  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.236  -2.135   0.390  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.595  -0.760   0.189  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.085  -0.923   0.006  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.444   0.452  -0.195  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.934   0.289  -0.377  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.294   1.664  -0.578  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.783   1.501  -0.761  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.524   0.783  -1.969  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.127   2.881  -0.837  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.629   2.723  -0.893  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.138   1.619  -0.875  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.842   3.807  -0.964  1.00  0.00           O  
HETATM   23  C   UNL     1       0.323   4.762  -0.374  1.00  0.00           C  
HETATM   24  C   UNL     1       0.046   6.034   1.686  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.327   6.126   3.143  1.00  0.00           C  
HETATM   26  O   UNL     1       0.422   7.022   1.092  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.585   2.304  -3.063  1.00  0.00           O  
HETATM   28  O   UNL     1       3.421   2.944  -4.024  1.00  0.00           O  
HETATM   29  O   UNL     1       2.177   4.403  -1.883  1.00  0.00           O  
HETATM   30  C   UNL     1       1.833   4.548  -0.503  1.00  0.00           C  
HETATM   31  O   UNL     1       2.210   3.368   0.209  1.00  0.00           O  
HETATM   32  P   UNL     1       3.655   3.179   0.892  1.00  0.00           P  
HETATM   33  O   UNL     1       3.830   4.250   2.082  1.00  0.00           O  
HETATM   34  O   UNL     1       4.712   3.392  -0.122  1.00  0.00           O  
HETATM   35  O   UNL     1       3.777   1.689   1.489  1.00  0.00           O  
HETATM   36  P   UNL     1       5.008   0.785   1.999  1.00  0.00           P  
HETATM   37  O   UNL     1       5.407   1.219   3.497  1.00  0.00           O  
HETATM   38  O   UNL     1       6.168   0.981   1.102  1.00  0.00           O  
HETATM   39  O   UNL     1       4.576  -0.766   1.987  1.00  0.00           O  
HETATM   40  C   UNL     1       5.483  -1.829   2.288  1.00  0.00           C  
HETATM   41  C   UNL     1       4.751  -3.168   2.185  1.00  0.00           C  
HETATM   42  O   UNL     1       4.374  -3.416   0.820  1.00  0.00           O  
HETATM   43  C   UNL     1       5.687  -4.312   2.621  1.00  0.00           C  
HETATM   44  O   UNL     1       5.138  -5.008   3.742  1.00  0.00           O  
HETATM   45  C   UNL     1       5.752  -5.241   1.385  1.00  0.00           C  
HETATM   46  O   UNL     1       5.707  -6.615   1.775  1.00  0.00           O  
HETATM   47  C   UNL     1       4.464  -4.842   0.611  1.00  0.00           C  
HETATM   48  N   UNL     1       4.605  -5.146  -0.815  1.00  0.00           N  
HETATM   49  C   UNL     1       3.800  -6.093  -1.388  1.00  0.00           C  
HETATM   50  C   UNL     1       3.929  -6.373  -2.703  1.00  0.00           C  
HETATM   51  C   UNL     1       4.899  -5.677  -3.464  1.00  0.00           C  
HETATM   52  O   UNL     1       5.034  -5.912  -4.651  1.00  0.00           O  
HETATM   53  N   UNL     1       5.673  -4.752  -2.861  1.00  0.00           N  
HETATM   54  C   UNL     1       5.519  -4.488  -1.550  1.00  0.00           C  
HETATM   55  O   UNL     1       6.224  -3.651  -1.020  1.00  0.00           O  
HETATM   56  H   UNL     1      -0.251   4.343  -3.027  1.00  0.00           H  
HETATM   57  H   UNL     1       1.842   2.368  -2.007  1.00  0.00           H  
HETATM   58  H   UNL     1       1.480   2.416  -4.493  1.00  0.00           H  
HETATM   59  H   UNL     1       1.815   4.164  -4.473  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.341   4.062   1.517  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.166   2.664  -0.476  1.00  0.00           H  
HETATM   62  H   UNL     1     -17.472  -3.924   0.454  1.00  0.00           H  
HETATM   63  H   UNL     1     -17.504  -5.376   1.482  1.00  0.00           H  
HETATM   64  H   UNL     1     -17.243  -3.774   2.212  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.113  -5.032   2.043  1.00  0.00           H  
HETATM   66  H   UNL     1     -15.342  -5.182   0.284  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.321  -2.712   0.070  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.092  -2.562   1.829  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.962  -3.820   1.659  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.191  -3.970  -0.100  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.170  -1.500  -0.313  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.941  -1.350   1.445  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.812  -2.608   1.276  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.040  -2.758  -0.483  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.020  -0.288  -0.697  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.791  -0.138   1.062  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.661  -1.396   0.892  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.890  -1.546  -0.867  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.869   0.924  -1.081  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.640   1.074   0.678  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.510  -0.184   0.508  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.739  -0.334  -1.250  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.718   2.136  -1.464  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.489   2.287   0.295  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.372   0.949   0.085  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.863   1.217  -2.764  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.472   3.398  -1.732  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.398   3.461   0.045  1.00  0.00           H  
HETATM   89  H   UNL     1       0.040   5.685  -0.882  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.388   6.361   3.233  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.124   5.173   3.632  1.00  0.00           H  
HETATM   92  H   UNL     1       0.260   6.911   3.619  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.343   2.157  -3.988  1.00  0.00           H  
HETATM   94  H   UNL     1       3.782   2.885  -4.920  1.00  0.00           H  
HETATM   95  H   UNL     1       2.359   5.407  -0.086  1.00  0.00           H  
HETATM   96  H   UNL     1       3.170   4.169   2.784  1.00  0.00           H  
HETATM   97  H   UNL     1       4.693   1.117   4.140  1.00  0.00           H  
HETATM   98  H   UNL     1       6.310  -1.811   1.578  1.00  0.00           H  
HETATM   99  H   UNL     1       5.869  -1.702   3.299  1.00  0.00           H  
HETATM  100  H   UNL     1       3.863  -3.154   2.818  1.00  0.00           H  
HETATM  101  H   UNL     1       6.677  -3.924   2.862  1.00  0.00           H  
HETATM  102  H   UNL     1       5.687  -5.738   4.058  1.00  0.00           H  
HETATM  103  H   UNL     1       6.642  -5.036   0.790  1.00  0.00           H  
HETATM  104  H   UNL     1       6.489  -6.912   2.261  1.00  0.00           H  
HETATM  105  H   UNL     1       3.593  -5.347   1.029  1.00  0.00           H  
HETATM  106  H   UNL     1       3.066  -6.614  -0.792  1.00  0.00           H  
HETATM  107  H   UNL     1       3.300  -7.118  -3.168  1.00  0.00           H  
HETATM  108  H   UNL     1       6.340  -4.271  -3.376  1.00  0.00           H  
CONECT    1    5   27    2   56                                       
CONECT    2    1   29    3   57                                       
CONECT    3    2   28   58   59                                       
CONECT    4   24   23   60                                            
CONECT    5   22   23    1   61                                       
CONECT    6    7   62   63   64                                       
CONECT    7    8    6   65   66                                       
CONECT    8    9    7   67   68                                       
CONECT    9   10    8   69   70                                       
CONECT   10   11    9   71   72                                       
CONECT   11   12   10   73   74                                       
CONECT   12   13   11   75   76                                       
CONECT   13   14   12   77   78                                       
CONECT   14   15   13   79   80                                       
CONECT   15   14   16   81   82                                       
CONECT   16   15   17   83   84                                       
CONECT   17   18   16   19   85                                       
CONECT   18   17   86                                                 
CONECT   19   17   20   87   88                                       
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20    5                                                 
CONECT   23    4    5   30   89                                       
CONECT   24   25   26   26    4                                       
CONECT   25   24   90   91   92                                       
CONECT   26   24   24                                                 
CONECT   27    1   93                                                 
CONECT   28    3   94                                                 
CONECT   29   30    2                                                 
CONECT   30   23   31   29   95                                       
CONECT   31   30   32                                                 
CONECT   32   31   34   34   33                                       
CONECT   32   35                                                      
CONECT   33   32   96                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36                                                 
CONECT   36   35   38   38   39                                       
CONECT   36   37                                                      
CONECT   37   36   97                                                 
CONECT   38   36   36                                                 
CONECT   39   36   40                                                 
CONECT   40   39   41   98   99                                       
CONECT   41   42   43   40  100                                       
CONECT   42   47   41                                                 
CONECT   43   45   41   44  101                                       
CONECT   44   43  102                                                 
CONECT   45   47   46   43  103                                       
CONECT   46   45  104                                                 
CONECT   47   48   45   42  105                                       
CONECT   48   49   54   47                                            
CONECT   49   50   50   48  106                                       
CONECT   50   51   49   49  107                                       
CONECT   51   52   52   50   53                                       
CONECT   52   51   51                                                 
CONECT   53   51   54  108                                            
CONECT   54   53   48   55   55                                       
CONECT   55   54   54                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   17                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   23                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   30                                                      
CONECT   96   33                                                      
CONECT   97   37                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   53                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
