COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.699   3.738  -0.318  1.00  0.00           C  
HETATM    2  O   UNL     1       8.645   3.811  -1.527  1.00  0.00           O  
HETATM    3  C   UNL     1       9.460   4.776   0.466  1.00  0.00           C  
HETATM    4  N   UNL     1       8.075   2.731   0.325  1.00  0.00           N  
HETATM    5  C   UNL     1       7.330   1.726  -0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       6.267   1.116   0.441  1.00  0.00           C  
HETATM    7  O   UNL     1       6.346   1.215   1.647  1.00  0.00           O  
HETATM    8  C   UNL     1       8.289   0.632  -0.911  1.00  0.00           C  
HETATM    9  C   UNL     1       9.300   1.230  -1.891  1.00  0.00           C  
HETATM   10  C   UNL     1       9.030   0.046   0.292  1.00  0.00           C  
HETATM   11  N   UNL     1       5.229   0.461  -0.115  1.00  0.00           N  
HETATM   12  C   UNL     1       4.137  -0.031   0.729  1.00  0.00           C  
HETATM   13  C   UNL     1       3.461  -1.193   0.049  1.00  0.00           C  
HETATM   14  O   UNL     1       3.852  -1.574  -1.034  1.00  0.00           O  
HETATM   15  C   UNL     1       3.120   1.091   0.952  1.00  0.00           C  
HETATM   16  C   UNL     1       3.806   2.271   1.643  1.00  0.00           C  
HETATM   17  C   UNL     1       2.558   1.546  -0.396  1.00  0.00           C  
HETATM   18  N   UNL     1       2.421  -1.810   0.644  1.00  0.00           N  
HETATM   19  C   UNL     1       1.763  -2.940  -0.017  1.00  0.00           C  
HETATM   20  C   UNL     1       2.522  -4.230   0.303  1.00  0.00           C  
HETATM   21  C   UNL     1       3.923  -4.162  -0.308  1.00  0.00           C  
HETATM   22  C   UNL     1       4.725  -5.395   0.116  1.00  0.00           C  
HETATM   23  C   UNL     1       3.813  -4.126  -1.834  1.00  0.00           C  
HETATM   24  C   UNL     1       0.323  -3.058   0.486  1.00  0.00           C  
HETATM   25  O   UNL     1       0.328  -3.270   1.899  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.436  -1.768   0.166  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.884  -1.929   0.550  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.271  -2.973   1.032  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.749  -0.914   0.357  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.157  -1.071   0.730  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.002  -0.133  -0.093  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.480   0.595  -0.911  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.331  -0.743   2.215  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.339  -0.103   0.079  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.171   0.729  -0.793  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.513  -0.050  -2.065  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.256   0.865  -3.040  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.319   1.983  -3.503  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.719   0.053  -4.251  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.462   1.103  -0.062  1.00  0.00           C  
HETATM   41  O   UNL     1      -9.174  -0.086   0.285  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.120   1.882   1.210  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.391   2.356   1.866  1.00  0.00           C  
HETATM   44  O   UNL     1     -10.461   2.098   1.367  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.335   3.066   3.004  1.00  0.00           O  
HETATM   46  H   UNL     1       9.890   5.506  -0.219  1.00  0.00           H  
HETATM   47  H   UNL     1       8.782   5.279   1.156  1.00  0.00           H  
HETATM   48  H   UNL     1      10.258   4.292   1.030  1.00  0.00           H  
HETATM   49  H   UNL     1       8.118   2.673   1.292  1.00  0.00           H  
HETATM   50  H   UNL     1       6.861   2.198  -1.300  1.00  0.00           H  
HETATM   51  H   UNL     1       7.724  -0.156  -1.409  1.00  0.00           H  
HETATM   52  H   UNL     1       9.944   1.934  -1.363  1.00  0.00           H  
HETATM   53  H   UNL     1       9.908   0.433  -2.318  1.00  0.00           H  
HETATM   54  H   UNL     1       8.770   1.750  -2.688  1.00  0.00           H  
HETATM   55  H   UNL     1       8.309  -0.380   0.990  1.00  0.00           H  
HETATM   56  H   UNL     1       9.713  -0.733  -0.045  1.00  0.00           H  
HETATM   57  H   UNL     1       9.595   0.834   0.790  1.00  0.00           H  
HETATM   58  H   UNL     1       5.204   0.315  -1.074  1.00  0.00           H  
HETATM   59  H   UNL     1       4.537  -0.354   1.690  1.00  0.00           H  
HETATM   60  H   UNL     1       2.308   0.725   1.580  1.00  0.00           H  
HETATM   61  H   UNL     1       4.619   2.637   1.015  1.00  0.00           H  
HETATM   62  H   UNL     1       3.082   3.070   1.802  1.00  0.00           H  
HETATM   63  H   UNL     1       4.207   1.947   2.603  1.00  0.00           H  
HETATM   64  H   UNL     1       2.069   0.705  -0.888  1.00  0.00           H  
HETATM   65  H   UNL     1       1.834   2.345  -0.237  1.00  0.00           H  
HETATM   66  H   UNL     1       3.370   1.911  -1.024  1.00  0.00           H  
HETATM   67  H   UNL     1       2.107  -1.506   1.510  1.00  0.00           H  
HETATM   68  H   UNL     1       1.760  -2.779  -1.095  1.00  0.00           H  
HETATM   69  H   UNL     1       2.603  -4.345   1.384  1.00  0.00           H  
HETATM   70  H   UNL     1       1.984  -5.081  -0.114  1.00  0.00           H  
HETATM   71  H   UNL     1       4.429  -3.262   0.041  1.00  0.00           H  
HETATM   72  H   UNL     1       4.219  -6.295  -0.234  1.00  0.00           H  
HETATM   73  H   UNL     1       5.722  -5.347  -0.320  1.00  0.00           H  
HETATM   74  H   UNL     1       4.803  -5.421   1.203  1.00  0.00           H  
HETATM   75  H   UNL     1       3.242  -3.247  -2.136  1.00  0.00           H  
HETATM   76  H   UNL     1       4.811  -4.077  -2.269  1.00  0.00           H  
HETATM   77  H   UNL     1       3.307  -5.025  -2.183  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.166  -3.899  -0.006  1.00  0.00           H  
HETATM   79  H   UNL     1       0.748  -2.559   2.402  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.001  -0.942   0.728  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.364  -1.560  -0.901  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.439  -0.079  -0.028  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.470  -2.098   0.546  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.378  -0.860   2.492  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.720  -1.422   2.810  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.018   0.284   2.399  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.749  -0.631   0.782  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.627   1.635  -1.058  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.595  -0.408  -2.530  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.147  -0.900  -1.811  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.122   1.301  -2.542  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.469   1.550  -4.031  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.858   2.655  -4.172  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.963   2.541  -2.638  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.386  -0.743  -3.921  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.247   0.706  -4.946  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.852  -0.382  -4.749  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.081   1.721  -0.711  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.682  -0.685   0.863  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.576   1.234   1.898  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.500   2.741   0.954  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.176   3.348   3.387  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   46   47   48                                       
CONECT    4    5   49    1                                            
CONECT    5    4    6    8   50                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   10   51                                       
CONECT    9    8   52   53   54                                       
CONECT   10    8   55   56   57                                       
CONECT   11   12   58    6                                            
CONECT   12   11   13   15   59                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   60                                       
CONECT   16   15   61   62   63                                       
CONECT   17   15   64   65   66                                       
CONECT   18   19   67   13                                            
CONECT   19   18   20   24   68                                       
CONECT   20   19   21   69   70                                       
CONECT   21   20   22   23   71                                       
CONECT   22   21   72   73   74                                       
CONECT   23   21   75   76   77                                       
CONECT   24   19   25   26   78                                       
CONECT   25   24   79                                                 
CONECT   26   24   27   80   81                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   30   82   27                                            
CONECT   30   29   31   33   83                                       
CONECT   31   30   32   32   34                                       
CONECT   32   31   31                                                 
CONECT   33   30   84   85   86                                       
CONECT   34   35   87   31                                            
CONECT   35   34   36   40   88                                       
CONECT   36   35   37   89   90                                       
CONECT   37   36   38   39   91                                       
CONECT   38   37   92   93   94                                       
CONECT   39   37   95   96   97                                       
CONECT   40   35   41   42   98                                       
CONECT   41   40   99                                                 
CONECT   42   40   43  100  101                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43  102                                                 
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   45                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
