COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.320  -0.558  -0.553  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.925   0.883  -0.886  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.413   0.959  -1.104  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.691   0.513   0.168  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.086  -0.927   0.501  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.598  -1.003   0.720  1.00  0.00           C  
HETATM    7  C   UNL     1       3.514  -0.681  -0.393  1.00  0.00           C  
HETATM    8  C   UNL     1       3.724  -2.152  -0.030  1.00  0.00           C  
HETATM    9  C   UNL     1       6.188   2.399   0.954  1.00  0.00           C  
HETATM   10  C   UNL     1       7.427   1.867   0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       4.606  -2.818  -1.089  1.00  0.00           C  
HETATM   12  C   UNL     1       4.816  -4.289  -0.726  1.00  0.00           C  
HETATM   13  C   UNL     1       5.698  -4.954  -1.784  1.00  0.00           C  
HETATM   14  C   UNL     1       5.908  -6.426  -1.421  1.00  0.00           C  
HETATM   15  C   UNL     1       6.790  -7.091  -2.480  1.00  0.00           C  
HETATM   16  C   UNL     1       7.000  -8.562  -2.117  1.00  0.00           C  
HETATM   17  C   UNL     1       8.685   2.450   0.878  1.00  0.00           C  
HETATM   18  C   UNL     1       9.924   1.918   0.156  1.00  0.00           C  
HETATM   19  C   UNL     1      11.182   2.502   0.803  1.00  0.00           C  
HETATM   20  C   UNL     1      12.421   1.969   0.080  1.00  0.00           C  
HETATM   21  C   UNL     1      13.678   2.553   0.727  1.00  0.00           C  
HETATM   22  C   UNL     1      14.917   2.021   0.004  1.00  0.00           C  
HETATM   23  C   UNL     1       1.330   1.839   1.116  1.00  0.00           C  
HETATM   24  C   UNL     1       2.635   1.378   0.466  1.00  0.00           C  
HETATM   25  C   UNL     1       3.814   2.109   1.111  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.717  -1.784  -0.581  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.835  -4.366   2.476  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.145  -2.087   2.479  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.870  -2.296   3.552  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.795   3.908  -1.809  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.666   2.370  -1.097  1.00  0.00           O  
HETATM   32  O   UNL     1      -8.282   2.651  -3.576  1.00  0.00           O  
HETATM   33  O   UNL     1       5.021   1.766   0.427  1.00  0.00           O  
HETATM   34  O   UNL     1       2.789  -0.031   0.653  1.00  0.00           O  
HETATM   35  O   UNL     1       2.773  -0.592  -1.612  1.00  0.00           O  
HETATM   36  O   UNL     1       6.093   3.811   0.760  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.967  -2.349   1.030  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.278   0.585  -0.036  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.600   1.299  -2.075  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.733  -0.629  -0.349  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.044   2.304  -1.415  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.493   1.184   2.287  1.00  0.00           O  
HETATM   43  O   UNL     1       0.222   1.245   0.436  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.672   3.060   0.608  1.00  0.00           O  
HETATM   45  P   UNL     1      -1.309   1.511   0.855  1.00  0.00           P  
HETATM   46  P   UNL     1      -6.687  -2.764   2.409  1.00  0.00           P  
HETATM   47  P   UNL     1      -7.609   2.553  -2.117  1.00  0.00           P  
HETATM   48  H   UNL     1      -6.039  -1.211  -1.379  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.207   1.537  -0.060  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.132   0.305  -1.930  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.972   1.167   0.994  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.571  -1.245   1.408  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.879  -0.350   1.545  1.00  0.00           H  
HETATM   54  H   UNL     1       4.482  -0.196  -0.520  1.00  0.00           H  
HETATM   55  H   UNL     1       4.210  -2.220   0.943  1.00  0.00           H  
HETATM   56  H   UNL     1       2.759  -2.658   0.009  1.00  0.00           H  
HETATM   57  H   UNL     1       6.268   2.184   2.020  1.00  0.00           H  
HETATM   58  H   UNL     1       7.452   0.780   0.305  1.00  0.00           H  
HETATM   59  H   UNL     1       7.389   2.159  -0.818  1.00  0.00           H  
HETATM   60  H   UNL     1       4.120  -2.749  -2.062  1.00  0.00           H  
HETATM   61  H   UNL     1       5.570  -2.312  -1.128  1.00  0.00           H  
HETATM   62  H   UNL     1       5.302  -4.357   0.247  1.00  0.00           H  
HETATM   63  H   UNL     1       3.851  -4.795  -0.686  1.00  0.00           H  
HETATM   64  H   UNL     1       5.212  -4.886  -2.758  1.00  0.00           H  
HETATM   65  H   UNL     1       6.662  -4.448  -1.824  1.00  0.00           H  
HETATM   66  H   UNL     1       6.394  -6.494  -0.448  1.00  0.00           H  
HETATM   67  H   UNL     1       4.944  -6.932  -1.382  1.00  0.00           H  
HETATM   68  H   UNL     1       6.304  -7.023  -3.453  1.00  0.00           H  
HETATM   69  H   UNL     1       7.755  -6.585  -2.520  1.00  0.00           H  
HETATM   70  H   UNL     1       7.628  -9.037  -2.871  1.00  0.00           H  
HETATM   71  H   UNL     1       7.486  -8.631  -1.144  1.00  0.00           H  
HETATM   72  H   UNL     1       6.036  -9.068  -2.077  1.00  0.00           H  
HETATM   73  H   UNL     1       8.660   3.537   0.805  1.00  0.00           H  
HETATM   74  H   UNL     1       8.723   2.158   1.928  1.00  0.00           H  
HETATM   75  H   UNL     1       9.948   0.831   0.229  1.00  0.00           H  
HETATM   76  H   UNL     1       9.886   2.211  -0.894  1.00  0.00           H  
HETATM   77  H   UNL     1      11.157   3.589   0.729  1.00  0.00           H  
HETATM   78  H   UNL     1      11.219   2.209   1.852  1.00  0.00           H  
HETATM   79  H   UNL     1      12.445   0.882   0.153  1.00  0.00           H  
HETATM   80  H   UNL     1      12.383   2.262  -0.969  1.00  0.00           H  
HETATM   81  H   UNL     1      13.654   3.640   0.654  1.00  0.00           H  
HETATM   82  H   UNL     1      13.716   2.260   1.776  1.00  0.00           H  
HETATM   83  H   UNL     1      15.814   2.437   0.465  1.00  0.00           H  
HETATM   84  H   UNL     1      14.942   0.934   0.078  1.00  0.00           H  
HETATM   85  H   UNL     1      14.880   2.313  -1.045  1.00  0.00           H  
HETATM   86  H   UNL     1       1.319   1.536   2.163  1.00  0.00           H  
HETATM   87  H   UNL     1       1.256   2.925   1.052  1.00  0.00           H  
HETATM   88  H   UNL     1       2.609   1.602  -0.601  1.00  0.00           H  
HETATM   89  H   UNL     1       3.653   3.185   1.047  1.00  0.00           H  
HETATM   90  H   UNL     1       3.894   1.816   2.158  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.938  -2.715  -0.439  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.261  -4.688   3.282  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.736  -2.349   1.759  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.085   4.092  -2.439  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.903   3.386  -3.674  1.00  0.00           H  
HETATM   96  H   UNL     1       1.899  -1.004  -1.573  1.00  0.00           H  
HETATM   97  H   UNL     1       6.018   4.077  -0.167  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.055  -1.515  -0.134  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.465   2.654  -2.212  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.573   3.345  -0.310  1.00  0.00           H  
CONECT    1   40    2    6   48                                       
CONECT    2   39    1    3   49                                       
CONECT    3    2    4   41   50                                       
CONECT    4    5    3   38   51                                       
CONECT    5   26    6    4   52                                       
CONECT    6   37    1    5   53                                       
CONECT    7    8   34   35   54                                       
CONECT    8   11    7   55   56                                       
CONECT    9   33   36   10   57                                       
CONECT   10    9   17   58   59                                       
CONECT   11   12    8   60   61                                       
CONECT   12   13   11   62   63                                       
CONECT   13   14   12   64   65                                       
CONECT   14   15   13   66   67                                       
CONECT   15   16   14   68   69                                       
CONECT   16   15   70   71   72                                       
CONECT   17   10   18   73   74                                       
CONECT   18   19   17   75   76                                       
CONECT   19   20   18   77   78                                       
CONECT   20   21   19   79   80                                       
CONECT   21   22   20   81   82                                       
CONECT   22   21   83   84   85                                       
CONECT   23   43   24   86   87                                       
CONECT   24   23   34   25   88                                       
CONECT   25   24   33   89   90                                       
CONECT   26    5   91                                                 
CONECT   27   46   92                                                 
CONECT   28   46   93                                                 
CONECT   29   46   46                                                 
CONECT   30   47   94                                                 
CONECT   31   47   47                                                 
CONECT   32   47   95                                                 
CONECT   33   25    9                                                 
CONECT   34    7   24                                                 
CONECT   35    7   96                                                 
CONECT   36    9   97                                                 
CONECT   37   46    6                                                 
CONECT   38   45    4                                                 
CONECT   39   47    2                                                 
CONECT   40    1   98                                                 
CONECT   41    3   99                                                 
CONECT   42   45   45                                                 
CONECT   43   45   23                                                 
CONECT   44   45  100                                                 
CONECT   45   42   42   43   38                                       
CONECT   45   44                                                      
CONECT   46   29   29   27   28                                       
CONECT   46   37                                                      
CONECT   47   31   31   30   39                                       
CONECT   47   32                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   30                                                      
CONECT   95   32                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   44                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
