COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.186   1.291  -0.343  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.200  -1.286   0.162  1.00  0.00           C  
HETATM    3  C   UNL     1       1.313  -3.185  -0.233  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.314   3.196   0.075  1.00  0.00           C  
HETATM    5  C   UNL     1       4.490  -3.990   1.523  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.271   3.999   2.157  1.00  0.00           C  
HETATM    7  C   UNL     1       4.154   4.594   0.734  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.028  -4.441  -1.597  1.00  0.00           C  
HETATM    9  C   UNL     1       4.445  -3.562   0.054  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.383   3.576   0.691  1.00  0.00           C  
HETATM   11  C   UNL     1       3.483   4.339  -0.618  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.529  -4.320  -0.155  1.00  0.00           C  
HETATM   13  C   UNL     1       5.655  -0.652  -0.001  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.612   0.671   0.752  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.656  -5.528  -0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       0.614   5.554  -0.350  1.00  0.00           C  
HETATM   17  C   UNL     1       5.255  -5.282   1.646  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.012   5.296   2.362  1.00  0.00           C  
HETATM   19  C   UNL     1       5.428   5.370   0.523  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.318  -5.219  -1.618  1.00  0.00           C  
HETATM   21  C   UNL     1       6.222  -0.484  -1.387  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.317   0.508  -0.570  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.481  -6.151   0.965  1.00  0.00           C  
HETATM   24  C   UNL     1       0.206   5.916  -1.755  1.00  0.00           C  
HETATM   25  C   UNL     1       3.679  -2.270  -0.070  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.642   2.279   0.485  1.00  0.00           C  
HETATM   27  C   UNL     1       4.198  -1.025  -0.096  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.170   1.035   0.511  1.00  0.00           C  
HETATM   29  C   UNL     1       2.208   3.563  -0.407  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.238  -3.543  -0.134  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.993  -4.068  -0.240  1.00  0.00           C  
HETATM   32  C   UNL     1       0.963   4.089  -0.291  1.00  0.00           C  
HETATM   33  C   UNL     1       2.220  -2.119  -0.186  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.201   2.120   0.216  1.00  0.00           C  
HETATM   35  C   UNL     1       3.059  -0.100  -0.236  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.056   0.105   0.257  1.00  0.00           C  
HETATM   37  C   UNL     1       2.099   2.157  -0.296  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.118  -2.146  -0.001  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.066  -3.003  -0.179  1.00  0.00           C  
HETATM   40  C   UNL     1       0.054   3.030  -0.104  1.00  0.00           C  
HETATM   41  N   UNL     1       1.938  -0.816  -0.245  1.00  0.00           N  
HETATM   42  N   UNL     1      -1.936   0.819   0.133  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.774  -1.834  -0.054  1.00  0.00           N  
HETATM   44  N   UNL     1       0.771   1.850  -0.130  1.00  0.00           N  
HETATM   45  O   UNL     1       5.717  -5.807   0.661  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.571   5.826   1.432  1.00  0.00           O  
HETATM   47  O   UNL     1       6.189   5.709   1.576  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.791  -5.634  -0.586  1.00  0.00           O  
HETATM   49  O   UNL     1       5.516  -0.650  -2.353  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.710   0.671  -1.602  1.00  0.00           O  
HETATM   51  O   UNL     1      -0.615  -5.478   1.959  1.00  0.00           O  
HETATM   52  O   UNL     1       0.199   5.072  -2.619  1.00  0.00           O  
HETATM   53  O   UNL     1       5.423  -5.849   2.851  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.050   5.861   3.579  1.00  0.00           O  
HETATM   55  O   UNL     1       5.765   5.687  -0.593  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.943  -5.450  -2.783  1.00  0.00           O  
HETATM   57  O   UNL     1       7.512  -0.151  -1.548  1.00  0.00           O  
HETATM   58  O   UNL     1      -7.619   0.182  -0.601  1.00  0.00           O  
HETATM   59  O   UNL     1      -0.175  -7.454   1.072  1.00  0.00           O  
HETATM   60  O   UNL     1      -0.150   7.177  -2.046  1.00  0.00           O  
HETATM   61  H   UNL     1       4.188   1.714  -0.450  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.198  -1.713   0.219  1.00  0.00           H  
HETATM   63  H   UNL     1       1.692  -4.204  -0.309  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.724   4.203   0.108  1.00  0.00           H  
HETATM   65  H   UNL     1       4.984  -3.217   2.111  1.00  0.00           H  
HETATM   66  H   UNL     1       3.474  -4.132   1.891  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.706   3.228   2.792  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.222   4.135   2.417  1.00  0.00           H  
HETATM   69  H   UNL     1       3.481   5.167   1.371  1.00  0.00           H  
HETATM   70  H   UNL     1       4.384   3.641   1.211  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.196  -3.446  -2.007  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.281  -4.960  -2.197  1.00  0.00           H  
HETATM   73  H   UNL     1       5.461  -3.419  -0.314  1.00  0.00           H  
HETATM   74  H   UNL     1       3.950  -4.335  -0.534  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.432   3.440   0.431  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.948   4.347   0.055  1.00  0.00           H  
HETATM   77  H   UNL     1       3.253   5.292  -1.095  1.00  0.00           H  
HETATM   78  H   UNL     1       4.156   3.766  -1.255  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.276  -3.802   0.445  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.360  -5.316   0.255  1.00  0.00           H  
HETATM   81  H   UNL     1       6.198  -1.440   0.521  1.00  0.00           H  
HETATM   82  H   UNL     1       5.756   0.284   0.549  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.095   1.462   1.326  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.663  -0.264   1.309  1.00  0.00           H  
HETATM   85  H   UNL     1       0.269  -5.630  -0.964  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.464  -6.033  -0.925  1.00  0.00           H  
HETATM   87  H   UNL     1       1.482   6.146  -0.059  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.211   5.758   0.332  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.396  -0.942  -0.011  1.00  0.00           H  
HETATM   90  H   UNL     1       0.401   0.958  -0.046  1.00  0.00           H  
HETATM   91  H   UNL     1       6.997   6.207   1.391  1.00  0.00           H  
HETATM   92  H   UNL     1       5.921  -6.678   2.880  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.537   6.692   3.662  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.768  -5.953  -2.747  1.00  0.00           H  
HETATM   95  H   UNL     1       7.831  -0.055  -2.456  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.027   0.089  -1.472  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.072  -7.809   1.966  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.405   7.362  -2.960  1.00  0.00           H  
CONECT    1   37   37   35   61                                       
CONECT    2   38   36   36   62                                       
CONECT    3   39   33   33   63                                       
CONECT    4   40   40   34   64                                       
CONECT    5   17    9   65   66                                       
CONECT    6   10   18   67   68                                       
CONECT    7   11   19   69   70                                       
CONECT    8   20   12   71   72                                       
CONECT    9   25    5   73   74                                       
CONECT   10    6   26   75   76                                       
CONECT   11    7   29   77   78                                       
CONECT   12   30    8   79   80                                       
CONECT   13   21   27   81   82                                       
CONECT   14   28   22   83   84                                       
CONECT   15   23   31   85   86                                       
CONECT   16   32   24   87   88                                       
CONECT   17   45   45   53    5                                       
CONECT   18    6   46   46   54                                       
CONECT   19   55   55    7   47                                       
CONECT   20   48   48   56    8                                       
CONECT   21   49   49   13   57                                       
CONECT   22   14   50   50   58                                       
CONECT   23   51   51   59   15                                       
CONECT   24   16   52   52   60                                       
CONECT   25   27   27   33    9                                       
CONECT   26   10   34   28   28                                       
CONECT   27   35   13   25   25                                       
CONECT   28   26   26   14   36                                       
CONECT   29   11   37   32   32                                       
CONECT   30   31   12   38   38                                       
CONECT   31   15   39   39   30                                       
CONECT   32   29   29   16   40                                       
CONECT   33   41    3    3   25                                       
CONECT   34    4   26   42   42                                       
CONECT   35    1   41   41   27                                       
CONECT   36   42   28    2    2                                       
CONECT   37   29    1    1   44                                       
CONECT   38   30   30   43    2                                       
CONECT   39   31   31    3   43                                       
CONECT   40   32   44    4    4                                       
CONECT   41   35   35   33                                            
CONECT   42   34   34   36                                            
CONECT   43   39   38   89                                            
CONECT   44   37   40   90                                            
CONECT   45   17   17                                                 
CONECT   46   18   18                                                 
CONECT   47   19   91                                                 
CONECT   48   20   20                                                 
CONECT   49   21   21                                                 
CONECT   50   22   22                                                 
CONECT   51   23   23                                                 
CONECT   52   24   24                                                 
CONECT   53   17   92                                                 
CONECT   54   18   93                                                 
CONECT   55   19   19                                                 
CONECT   56   20   94                                                 
CONECT   57   21   95                                                 
CONECT   58   22   96                                                 
CONECT   59   23   97                                                 
CONECT   60   24   98                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75   10                                                      
CONECT   76   10                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   14                                                      
CONECT   84   14                                                      
CONECT   85   15                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   47                                                      
CONECT   92   53                                                      
CONECT   93   54                                                      
CONECT   94   56                                                      
CONECT   95   57                                                      
CONECT   96   58                                                      
CONECT   97   59                                                      
CONECT   98   60                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
