COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.168  -1.942  -1.043  1.00  0.00           O  
HETATM    2  C   UNL     1       5.237  -1.475  -1.384  1.00  0.00           C  
HETATM    3  O   UNL     1       5.558  -1.409  -2.691  1.00  0.00           O  
HETATM    4  C   UNL     1       6.180  -0.974  -0.368  1.00  0.00           C  
HETATM    5  C   UNL     1       7.135  -1.834   0.193  1.00  0.00           C  
HETATM    6  O   UNL     1       7.197  -3.131  -0.198  1.00  0.00           O  
HETATM    7  C   UNL     1       8.017  -1.351   1.148  1.00  0.00           C  
HETATM    8  C   UNL     1       9.047  -2.270   1.754  1.00  0.00           C  
HETATM    9  C   UNL     1       7.954  -0.030   1.544  1.00  0.00           C  
HETATM   10  C   UNL     1       7.011   0.823   0.993  1.00  0.00           C  
HETATM   11  C   UNL     1       6.130   0.362   0.039  1.00  0.00           C  
HETATM   12  C   UNL     1       5.107   1.295  -0.557  1.00  0.00           C  
HETATM   13  C   UNL     1       3.787   1.157   0.204  1.00  0.00           C  
HETATM   14  C   UNL     1       2.749   2.104  -0.401  1.00  0.00           C  
HETATM   15  C   UNL     1       2.437   1.670  -1.835  1.00  0.00           C  
HETATM   16  C   UNL     1       1.468   2.058   0.435  1.00  0.00           C  
HETATM   17  O   UNL     1       0.951   0.726   0.442  1.00  0.00           O  
HETATM   18  C   UNL     1       0.430   3.005  -0.170  1.00  0.00           C  
HETATM   19  C   UNL     1       0.984   4.431  -0.178  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.831   2.960   0.653  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.781   2.645   1.818  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.155   3.309   0.023  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.115   3.816   1.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.569   5.113   1.702  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.747   2.065  -0.642  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.141   1.107   0.353  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.053   2.427  -1.394  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.756   2.906  -2.816  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.777   1.053  -1.406  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.342   0.442  -0.056  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.437   0.661   0.990  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.798   2.146   1.048  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.075  -1.055  -0.226  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.756  -1.674   1.137  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.234  -1.686  -0.775  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.082  -3.089  -1.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.914  -3.329  -1.957  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.804  -3.790   0.332  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.549  -3.183   0.968  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.918  -3.611   1.209  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.580  -5.284   0.086  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.301  -5.984   1.418  1.00  0.00           C  
HETATM   43  H   UNL     1       4.906  -1.747  -3.321  1.00  0.00           H  
HETATM   44  H   UNL     1       7.786  -3.288  -0.949  1.00  0.00           H  
HETATM   45  H   UNL     1       9.959  -2.236   1.158  1.00  0.00           H  
HETATM   46  H   UNL     1       9.266  -1.948   2.772  1.00  0.00           H  
HETATM   47  H   UNL     1       8.660  -3.288   1.770  1.00  0.00           H  
HETATM   48  H   UNL     1       8.641   0.340   2.291  1.00  0.00           H  
HETATM   49  H   UNL     1       6.970   1.855   1.309  1.00  0.00           H  
HETATM   50  H   UNL     1       5.465   2.322  -0.481  1.00  0.00           H  
HETATM   51  H   UNL     1       4.951   1.041  -1.605  1.00  0.00           H  
HETATM   52  H   UNL     1       3.430   0.130   0.128  1.00  0.00           H  
HETATM   53  H   UNL     1       3.943   1.411   1.252  1.00  0.00           H  
HETATM   54  H   UNL     1       3.143   3.120  -0.407  1.00  0.00           H  
HETATM   55  H   UNL     1       3.349   1.703  -2.431  1.00  0.00           H  
HETATM   56  H   UNL     1       2.043   0.654  -1.830  1.00  0.00           H  
HETATM   57  H   UNL     1       1.697   2.345  -2.266  1.00  0.00           H  
HETATM   58  H   UNL     1       1.690   2.367   1.456  1.00  0.00           H  
HETATM   59  H   UNL     1       0.731   0.385  -0.436  1.00  0.00           H  
HETATM   60  H   UNL     1       0.208   2.696  -1.192  1.00  0.00           H  
HETATM   61  H   UNL     1       1.890   4.466  -0.782  1.00  0.00           H  
HETATM   62  H   UNL     1       0.240   5.108  -0.600  1.00  0.00           H  
HETATM   63  H   UNL     1       1.214   4.737   0.842  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.008   4.087  -0.726  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.093   4.004   0.659  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.210   3.065   1.886  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.564   4.940   2.088  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.535   5.884   0.933  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.218   5.439   2.515  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.025   1.625  -1.329  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.629   3.171  -0.844  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.245   2.116  -3.366  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.690   3.153  -3.319  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.120   3.790  -2.777  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.858   1.185  -1.441  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.435   0.442  -2.240  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.320   0.083   0.717  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.077   0.335   1.966  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.955   2.709   1.449  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.029   2.504   0.045  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.666   2.284   1.692  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.229  -1.199  -0.898  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.847  -1.225   1.538  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.584  -1.494   1.822  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.998  -3.488  -1.436  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.798  -4.400  -2.128  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.112  -2.830  -2.906  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.998  -2.930  -1.521  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.690  -3.363   0.322  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.377  -3.639   1.942  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.810  -4.030   2.073  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.471  -5.714  -0.371  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.728  -5.419  -0.580  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.411  -5.553   1.876  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.154  -5.849   2.085  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.142  -7.048   1.243  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   43                                                 
CONECT    4   11   11    5    2                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5   44                                                 
CONECT    7    9    8    5    5                                       
CONECT    8    7   45   46   47                                       
CONECT    9   10   10    7   48                                       
CONECT   10    9    9   11   49                                       
CONECT   11   10   12    4    4                                       
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   16   13   15   54                                       
CONECT   15   14   55   56   57                                       
CONECT   16   18   17   14   58                                       
CONECT   17   16   59                                                 
CONECT   18   20   19   16   60                                       
CONECT   19   18   61   62   63                                       
CONECT   20   21   21   22   18                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   25   64                                       
CONECT   23   24   22   65   66                                       
CONECT   24   23   67   68   69                                       
CONECT   25   26   22   27   70                                       
CONECT   26   30   25                                                 
CONECT   27   25   29   28   71                                       
CONECT   28   27   72   73   74                                       
CONECT   29   30   27   75   76                                       
CONECT   30   26   31   33   29                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   79   80   81                                       
CONECT   33   35   30   34   82                                       
CONECT   34   39   33   83   84                                       
CONECT   35   36   33                                                 
CONECT   36   37   38   35   85                                       
CONECT   37   36   86   87   88                                       
CONECT   38   40   36   41   39                                       
CONECT   39   38   34   89   90                                       
CONECT   40   38   91                                                 
CONECT   41   42   38   92   93                                       
CONECT   42   41   94   95   96                                       
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
