COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.388   1.257  -0.248  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.122   1.644  -0.223  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.683   1.614  -0.158  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.182  -0.046  -0.313  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.247  -2.805  -2.057  1.00  0.00           C  
HETATM    6  C   UNL     1       1.610  -0.032  -0.089  1.00  0.00           C  
HETATM    7  C   UNL     1       1.889   2.264   0.322  1.00  0.00           C  
HETATM    8  C   UNL     1       3.925  -0.799  -0.037  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.399   2.210  -0.130  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.964   2.331  -0.143  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.150  -0.600  -0.467  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.996   0.885  -0.266  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.988   1.780  -0.131  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.088   2.973   0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.081   3.931   0.128  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.757   3.553   0.059  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.735   1.627  -0.181  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.461   2.178   0.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.491   1.152  -0.055  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.465  -1.234  -0.451  1.00  0.00           C  
HETATM   21  C   UNL     1       0.912  -1.227  -0.348  1.00  0.00           C  
HETATM   22  C   UNL     1       0.909   1.143   0.055  1.00  0.00           C  
HETATM   23  C   UNL     1       3.267   1.583   0.315  1.00  0.00           C  
HETATM   24  C   UNL     1       5.351  -0.448   0.005  1.00  0.00           C  
HETATM   25  C   UNL     1       6.383  -1.330  -0.076  1.00  0.00           C  
HETATM   26  C   UNL     1       7.588  -0.593   0.002  1.00  0.00           C  
HETATM   27  C   UNL     1       7.235   0.762   0.133  1.00  0.00           C  
HETATM   28  C   UNL     1       8.239   1.724   0.233  1.00  0.00           C  
HETATM   29  C   UNL     1       7.760   3.790  -0.846  1.00  0.00           C  
HETATM   30  C   UNL     1       9.566   1.345   0.202  1.00  0.00           C  
HETATM   31  C   UNL     1       9.927  -0.009   0.070  1.00  0.00           C  
HETATM   32  C   UNL     1       8.943  -0.964  -0.028  1.00  0.00           C  
HETATM   33  C   UNL     1       9.594  -2.323  -0.157  1.00  0.00           C  
HETATM   34  C   UNL     1      11.103  -2.034  -0.121  1.00  0.00           C  
HETATM   35  C   UNL     1      12.365   0.109   0.093  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.227   0.197  -0.422  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.737  -0.094  -0.447  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.117  -1.038   0.695  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.194  -3.287  -0.235  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.496  -4.843  -0.030  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.725  -3.923   0.700  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.266  -2.642   0.949  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.304  -2.766   1.833  1.00  0.00           C  
HETATM   44  N   UNL     1     -10.466   3.033   0.033  1.00  0.00           N  
HETATM   45  N   UNL     1      -2.526   0.256  -0.368  1.00  0.00           N  
HETATM   46  N   UNL     1       2.990   0.168   0.053  1.00  0.00           N  
HETATM   47  N   UNL     1      11.209  -0.580   0.020  1.00  0.00           N  
HETATM   48  N   UNL     1      13.540  -0.525  -0.094  1.00  0.00           N  
HETATM   49  N   UNL     1       5.858   0.832   0.127  1.00  0.00           N  
HETATM   50  N   UNL     1      -6.520  -2.355   0.460  1.00  0.00           N  
HETATM   51  N   UNL     1      -6.705  -4.478  -0.467  1.00  0.00           N  
HETATM   52  N   UNL     1      -5.013  -6.101  -0.292  1.00  0.00           N  
HETATM   53  N   UNL     1      -4.356  -1.977   1.644  1.00  0.00           N  
HETATM   54  N   UNL     1      -3.511  -3.940   1.275  1.00  0.00           N  
HETATM   55  O   UNL     1      -8.405   5.238   0.313  1.00  0.00           O  
HETATM   56  O   UNL     1      -1.123  -2.401  -0.692  1.00  0.00           O  
HETATM   57  O   UNL     1       1.601  -2.391  -0.484  1.00  0.00           O  
HETATM   58  O   UNL     1       7.911   3.039   0.361  1.00  0.00           O  
HETATM   59  O   UNL     1      12.349   1.302   0.326  1.00  0.00           O  
HETATM   60  O   UNL     1      10.538   2.292   0.299  1.00  0.00           O  
HETATM   61  O   UNL     1       3.588  -1.962  -0.153  1.00  0.00           O  
HETATM   62  O   UNL     1      -3.982   3.545  -0.059  1.00  0.00           O  
HETATM   63  H   UNL     1      -1.865  -3.701  -2.116  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.711  -2.004  -2.633  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.258  -3.019  -2.464  1.00  0.00           H  
HETATM   66  H   UNL     1       1.832   3.015  -0.466  1.00  0.00           H  
HETATM   67  H   UNL     1       1.691   2.717   1.293  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.612  -0.790  -1.436  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.169  -1.075  -0.433  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.780  -1.010   0.322  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.042   1.545  -0.150  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.985   4.302   0.153  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.266   3.223   0.228  1.00  0.00           H  
HETATM   74  H   UNL     1       3.891   1.999  -0.475  1.00  0.00           H  
HETATM   75  H   UNL     1       3.753   1.702   1.283  1.00  0.00           H  
HETATM   76  H   UNL     1       6.298  -2.401  -0.182  1.00  0.00           H  
HETATM   77  H   UNL     1       7.499   4.820  -0.602  1.00  0.00           H  
HETATM   78  H   UNL     1       8.697   3.775  -1.403  1.00  0.00           H  
HETATM   79  H   UNL     1       6.970   3.348  -1.453  1.00  0.00           H  
HETATM   80  H   UNL     1       9.309  -2.963   0.678  1.00  0.00           H  
HETATM   81  H   UNL     1       9.317  -2.789  -1.103  1.00  0.00           H  
HETATM   82  H   UNL     1      11.564  -2.533   0.732  1.00  0.00           H  
HETATM   83  H   UNL     1      11.574  -2.360  -1.049  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.773  -0.089  -1.371  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.752  -0.335   0.402  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.026  -0.521  -1.407  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.748  -0.635   1.638  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.202  -1.135   0.741  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.177  -3.045  -0.611  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.410  -2.487   2.371  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.987   3.843   0.151  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.242  -0.377  -0.532  1.00  0.00           H  
HETATM   93  H   UNL     1      13.553  -1.477  -0.280  1.00  0.00           H  
HETATM   94  H   UNL     1      14.372  -0.030  -0.041  1.00  0.00           H  
HETATM   95  H   UNL     1       5.333   1.644   0.203  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.551  -6.731  -0.797  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.135  -6.360   0.027  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.414   5.513   1.240  1.00  0.00           H  
HETATM   99  H   UNL     1       1.865  -2.587  -1.393  1.00  0.00           H  
HETATM  100  H   UNL     1      10.814   2.479   1.207  1.00  0.00           H  
CONECT    1   37    9    9   17                                       
CONECT    2   10   36    9                                            
CONECT    3   45   18   18   10                                       
CONECT    4   20   45   19   19                                       
CONECT    5   56   63   64   65                                       
CONECT    6   21   46   22   22                                       
CONECT    7   23   22   66   67                                       
CONECT    8   61   61   24   46                                       
CONECT    9    2    1    1   16                                       
CONECT   10    3   62   62    2                                       
CONECT   11   12   68   69   70                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   44   71                                       
CONECT   14   17   17   15   44                                       
CONECT   15   16   16   14   55                                       
CONECT   16    9   15   15   72                                       
CONECT   17    1   12   14   14                                       
CONECT   18   19    3    3   73                                       
CONECT   19    4    4   22   18                                       
CONECT   20   56   21   21    4                                       
CONECT   21   57   20   20    6                                       
CONECT   22    6    6   19    7                                       
CONECT   23   46    7   74   75                                       
CONECT   24   49    8   25   25                                       
CONECT   25   24   24   26   76                                       
CONECT   26   27   27   32   25                                       
CONECT   27   28   49   26   26                                       
CONECT   28   58   30   30   27                                       
CONECT   29   58   77   78   79                                       
CONECT   30   60   28   28   31                                       
CONECT   31   30   47   32   32                                       
CONECT   32   31   31   26   33                                       
CONECT   33   32   34   80   81                                       
CONECT   34   47   33   82   83                                       
CONECT   35   59   59   47   48                                       
CONECT   36    2   37   84   85                                       
CONECT   37   38   36    1   86                                       
CONECT   38   50   37   87   88                                       
CONECT   39   51   51   50   89                                       
CONECT   40   41   41   52   51                                       
CONECT   41   54   40   40   42                                       
CONECT   42   53   53   41   50                                       
CONECT   43   54   54   53   90                                       
CONECT   44   14   13   91                                            
CONECT   45    4    3   92                                            
CONECT   46    8    6   23                                            
CONECT   47   31   35   34                                            
CONECT   48   35   93   94                                            
CONECT   49   27   24   95                                            
CONECT   50   42   39   38                                            
CONECT   51   40   39   39                                            
CONECT   52   40   96   97                                            
CONECT   53   43   42   42                                            
CONECT   54   43   43   41                                            
CONECT   55   15   98                                                 
CONECT   56   20    5                                                 
CONECT   57   21   99                                                 
CONECT   58   29   28                                                 
CONECT   59   35   35                                                 
CONECT   60   30  100                                                 
CONECT   61    8    8                                                 
CONECT   62   10   10                                                 
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   13                                                      
CONECT   72   16                                                      
CONECT   73   18                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   25                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   52                                                      
CONECT   97   52                                                      
CONECT   98   55                                                      
CONECT   99   57                                                      
CONECT  100   60                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
