COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.509   2.365  -4.638  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.058   1.023  -4.814  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.151   0.787  -3.771  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.780  -0.562  -4.001  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.742  -1.406  -3.130  1.00  0.00           O  
HETATM    6  N   UNL     1      -2.386  -0.832  -5.174  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.998  -2.145  -5.398  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.611  -2.189  -6.799  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.930  -3.233  -5.274  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.091  -2.382  -4.354  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.566   0.829  -2.425  1.00  0.00           N  
HETATM   12  C   UNL     1       0.001   2.172  -2.249  1.00  0.00           C  
HETATM   13  C   UNL     1       1.093   2.408  -3.292  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.682   0.715  -1.476  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.164   0.926  -0.052  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.787   2.294   0.119  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.265   0.571   0.948  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.711   0.668   2.371  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.853   0.499   3.376  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.341   0.764   4.768  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.413  -0.225   5.730  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.943   0.017   7.008  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.401   1.249   7.322  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.328   2.238   6.360  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.794   1.994   5.081  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.687  -0.415   2.587  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.426  -1.190   1.691  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.062  -0.524   3.776  1.00  0.00           N  
HETATM   29  C   UNL     1       0.932  -1.579   3.986  1.00  0.00           C  
HETATM   30  C   UNL     1       0.980  -1.982   5.475  1.00  0.00           C  
HETATM   31  O   UNL     1       0.568  -0.896   6.309  1.00  0.00           O  
HETATM   32  C   UNL     1       2.475  -2.303   5.684  1.00  0.00           C  
HETATM   33  C   UNL     1       3.206  -1.478   4.647  1.00  0.00           C  
HETATM   34  C   UNL     1       4.541  -1.120   4.563  1.00  0.00           C  
HETATM   35  C   UNL     1       4.989  -0.349   3.509  1.00  0.00           C  
HETATM   36  C   UNL     1       4.103   0.067   2.533  1.00  0.00           C  
HETATM   37  C   UNL     1       2.771  -0.289   2.615  1.00  0.00           C  
HETATM   38  C   UNL     1       2.320  -1.062   3.669  1.00  0.00           C  
HETATM   39  C   UNL     1       1.624   2.479  -5.587  1.00  0.00           C  
HETATM   40  C   UNL     1       2.497   1.254  -5.486  1.00  0.00           C  
HETATM   41  C   UNL     1       3.562   1.225  -4.606  1.00  0.00           C  
HETATM   42  N   UNL     1       4.326   0.154  -4.508  1.00  0.00           N  
HETATM   43  C   UNL     1       4.115  -0.917  -5.246  1.00  0.00           C  
HETATM   44  C   UNL     1       3.072  -0.958  -6.152  1.00  0.00           C  
HETATM   45  C   UNL     1       2.244   0.145  -6.279  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.972   1.490   3.047  1.00  0.00           C  
HETATM   47  H   UNL     1      -0.486   0.938  -5.813  1.00  0.00           H  
HETATM   48  H   UNL     1       0.727   0.278  -4.691  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.912   1.562  -3.860  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.417  -0.158  -5.871  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.067  -3.166  -6.965  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.372  -1.414  -6.887  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.832  -2.020  -7.542  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.151  -3.064  -6.017  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.493  -3.201  -4.276  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.385  -4.209  -5.440  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.852  -1.606  -4.443  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.547  -3.358  -4.521  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.654  -2.350  -3.356  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.784   2.917  -2.372  1.00  0.00           H  
HETATM   61  H   UNL     1       0.428   2.257  -1.250  1.00  0.00           H  
HETATM   62  H   UNL     1       1.549   3.384  -3.126  1.00  0.00           H  
HETATM   63  H   UNL     1       1.855   1.633  -3.203  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.128  -0.275  -1.557  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.433   1.472  -1.705  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.298   0.287   0.117  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.595   2.819   0.040  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.611  -0.445   0.762  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.098   1.265   0.834  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.244   1.643   2.513  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.240  -0.517   3.318  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.836  -1.188   5.485  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.999  -0.756   7.760  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.034   1.438   8.320  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.905   3.201   6.605  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.737   2.767   4.329  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.271   0.094   4.493  1.00  0.00           H  
HETATM   78  H   UNL     1       0.701  -2.445   3.367  1.00  0.00           H  
HETATM   79  H   UNL     1       0.365  -2.863   5.658  1.00  0.00           H  
HETATM   80  H   UNL     1       0.619  -1.210   7.222  1.00  0.00           H  
HETATM   81  H   UNL     1       2.788  -2.013   6.687  1.00  0.00           H  
HETATM   82  H   UNL     1       2.660  -3.365   5.522  1.00  0.00           H  
HETATM   83  H   UNL     1       5.234  -1.444   5.325  1.00  0.00           H  
HETATM   84  H   UNL     1       6.031  -0.071   3.447  1.00  0.00           H  
HETATM   85  H   UNL     1       4.451   0.670   1.708  1.00  0.00           H  
HETATM   86  H   UNL     1       2.079   0.036   1.852  1.00  0.00           H  
HETATM   87  H   UNL     1       1.232   2.563  -6.601  1.00  0.00           H  
HETATM   88  H   UNL     1       2.214   3.365  -5.351  1.00  0.00           H  
HETATM   89  H   UNL     1       3.766   2.085  -3.986  1.00  0.00           H  
HETATM   90  H   UNL     1       4.765  -1.774  -5.141  1.00  0.00           H  
HETATM   91  H   UNL     1       2.904  -1.840  -6.753  1.00  0.00           H  
HETATM   92  H   UNL     1       1.421   0.141  -6.978  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.601   2.508   3.163  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.302   1.337   2.020  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.810   1.329   3.725  1.00  0.00           H  
CONECT    1    2   13   39                                            
CONECT    2    1    3   47   48                                       
CONECT    3    2    4   11   49                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   50                                            
CONECT    7    6    8    9   10                                       
CONECT    8    7   51   52   53                                       
CONECT    9    7   54   55   56                                       
CONECT   10    7   57   58   59                                       
CONECT   11    3   12   14                                            
CONECT   12   11   13   60   61                                       
CONECT   13    1   12   62   63                                       
CONECT   14   11   15   64   65                                       
CONECT   15   14   16   17   66                                       
CONECT   16   15   67                                                 
CONECT   17   15   18   68   69                                       
CONECT   18   17   19   26   70                                       
CONECT   19   18   20   46   71                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   72                                       
CONECT   22   21   23   23   73                                       
CONECT   23   22   22   24   74                                       
CONECT   24   23   25   25   75                                       
CONECT   25   20   24   24   76                                       
CONECT   26   18   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   77                                            
CONECT   29   28   30   38   78                                       
CONECT   30   29   31   32   79                                       
CONECT   31   30   80                                                 
CONECT   32   30   33   81   82                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   83                                       
CONECT   35   34   36   36   84                                       
CONECT   36   35   35   37   85                                       
CONECT   37   36   38   38   86                                       
CONECT   38   29   33   37   37                                       
CONECT   39    1   40   87   88                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   89                                       
CONECT   42   41   43   43                                            
CONECT   43   42   42   44   90                                       
CONECT   44   43   45   45   91                                       
CONECT   45   40   44   44   92                                       
CONECT   46   19   93   94   95                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
