COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.111  -4.613  -0.180  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.259  -3.820  -0.239  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.444  -4.357  -0.745  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.576  -3.597  -0.811  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.555  -2.273  -0.370  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.211  -2.515   0.208  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.362  -1.714   0.146  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.322  -0.443   0.573  1.00  0.00           N1+
HETATM    9  C   UNL     1      -4.360   0.360   0.548  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.222   1.749   1.042  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.848   1.989   2.364  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.722   3.286   2.818  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.966   4.347   1.964  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.338   4.116   0.652  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.462   2.824   0.185  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.652  -0.102   0.037  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.772   0.729  -0.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.757  -1.434  -0.430  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.972  -1.906  -0.923  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.058  -1.079  -0.953  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.966   0.237  -0.496  1.00  0.00           C  
HETATM   22  N   UNL     1      -9.091   1.064  -0.537  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.055   0.075   1.096  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.236   0.672  -0.051  1.00  0.00           C  
HETATM   25  C   UNL     1       0.087   1.213   0.495  1.00  0.00           C  
HETATM   26  C   UNL     1       0.852   1.916  -0.628  1.00  0.00           C  
HETATM   27  C   UNL     1       2.117   2.560  -0.057  1.00  0.00           C  
HETATM   28  C   UNL     1       2.809   3.351  -1.138  1.00  0.00           C  
HETATM   29  N   UNL     1       3.814   2.927  -1.939  1.00  0.00           N  
HETATM   30  N   UNL     1       4.133   3.891  -2.730  1.00  0.00           N  
HETATM   31  N   UNL     1       3.398   4.920  -2.495  1.00  0.00           N  
HETATM   32  C   UNL     1       2.547   4.627  -1.505  1.00  0.00           C  
HETATM   33  C   UNL     1       4.432   1.599  -1.910  1.00  0.00           C  
HETATM   34  C   UNL     1       5.548   1.579  -0.863  1.00  0.00           C  
HETATM   35  N   UNL     1       6.250   0.290  -0.920  1.00  0.00           N  
HETATM   36  C   UNL     1       5.609  -0.659  -0.138  1.00  0.00           C  
HETATM   37  C   UNL     1       5.746  -0.649   1.268  1.00  0.00           C  
HETATM   38  C   UNL     1       6.527   0.312   1.924  1.00  0.00           C  
HETATM   39  C   UNL     1       5.072  -1.639   2.021  1.00  0.00           C  
HETATM   40  C   UNL     1       5.200  -1.636   3.421  1.00  0.00           C  
HETATM   41  C   UNL     1       5.966  -0.688   4.027  1.00  0.00           C  
HETATM   42  C   UNL     1       6.628   0.285   3.282  1.00  0.00           C  
HETATM   43  N   UNL     1       4.331  -2.556   1.396  1.00  0.00           N  
HETATM   44  C   UNL     1       4.191  -2.583   0.082  1.00  0.00           C  
HETATM   45  C   UNL     1       3.330  -3.681  -0.493  1.00  0.00           C  
HETATM   46  C   UNL     1       4.812  -1.640  -0.720  1.00  0.00           C  
HETATM   47  C   UNL     1       4.665  -1.619  -2.218  1.00  0.00           C  
HETATM   48  C   UNL     1       4.141  -2.962  -2.725  1.00  0.00           C  
HETATM   49  C   UNL     1       2.904  -3.339  -1.919  1.00  0.00           C  
HETATM   50  H   UNL     1      -0.286  -4.246   0.174  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.140  -5.532  -0.490  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.466  -5.381  -1.088  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.488  -4.020  -1.204  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.291  -2.111   0.602  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.658   1.161   3.031  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.433   3.473   3.841  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.866   5.361   2.324  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.528   4.949  -0.009  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.747   2.645  -0.841  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.707   1.748   0.351  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.054  -2.922  -1.279  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.999  -1.447  -1.336  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.931   0.723  -0.883  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.033   1.978  -0.220  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.256   0.847   1.839  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.493  -0.737   1.559  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.035  -0.100  -0.794  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.797   1.484  -0.513  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.114   1.922   1.297  1.00  0.00           H  
HETATM   70  H   UNL     1       0.685   0.387   0.881  1.00  0.00           H  
HETATM   71  H   UNL     1       1.128   1.188  -1.391  1.00  0.00           H  
HETATM   72  H   UNL     1       0.221   2.686  -1.071  1.00  0.00           H  
HETATM   73  H   UNL     1       1.848   3.225   0.764  1.00  0.00           H  
HETATM   74  H   UNL     1       2.787   1.783   0.309  1.00  0.00           H  
HETATM   75  H   UNL     1       1.799   5.281  -1.082  1.00  0.00           H  
HETATM   76  H   UNL     1       3.680   0.854  -1.653  1.00  0.00           H  
HETATM   77  H   UNL     1       4.850   1.372  -2.890  1.00  0.00           H  
HETATM   78  H   UNL     1       6.253   2.385  -1.068  1.00  0.00           H  
HETATM   79  H   UNL     1       5.119   1.716   0.129  1.00  0.00           H  
HETATM   80  H   UNL     1       7.216   0.391  -0.647  1.00  0.00           H  
HETATM   81  H   UNL     1       7.046   1.070   1.355  1.00  0.00           H  
HETATM   82  H   UNL     1       4.692  -2.382   4.014  1.00  0.00           H  
HETATM   83  H   UNL     1       6.061  -0.689   5.103  1.00  0.00           H  
HETATM   84  H   UNL     1       7.231   1.025   3.787  1.00  0.00           H  
HETATM   85  H   UNL     1       3.895  -4.613  -0.500  1.00  0.00           H  
HETATM   86  H   UNL     1       2.443  -3.804   0.128  1.00  0.00           H  
HETATM   87  H   UNL     1       3.966  -0.832  -2.500  1.00  0.00           H  
HETATM   88  H   UNL     1       5.635  -1.418  -2.672  1.00  0.00           H  
HETATM   89  H   UNL     1       3.885  -2.881  -3.781  1.00  0.00           H  
HETATM   90  H   UNL     1       4.905  -3.728  -2.590  1.00  0.00           H  
HETATM   91  H   UNL     1       2.417  -4.203  -2.372  1.00  0.00           H  
HETATM   92  H   UNL     1       2.217  -2.494  -1.903  1.00  0.00           H  
CONECT    1    2   50   51                                            
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   52                                       
CONECT    4    3    5    5   53                                       
CONECT    5    4    4    7   18                                       
CONECT    6    2    7    7   54                                       
CONECT    7    6    6    5    8                                       
CONECT    8    7   23    9    9                                       
CONECT    9    8    8   16   10                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10   12   12   55                                       
CONECT   12   11   11   13   56                                       
CONECT   13   14   14   12   57                                       
CONECT   14   15   13   13   58                                       
CONECT   15   10   10   14   59                                       
CONECT   16   18    9   17   17                                       
CONECT   17   16   16   21   60                                       
CONECT   18    5   19   19   16                                       
CONECT   19   18   18   20   61                                       
CONECT   20   19   21   21   62                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   63   64                                            
CONECT   23    8   24   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   32   32   29                                       
CONECT   29   28   33   30                                            
CONECT   30   31   31   29                                            
CONECT   31   32   30   30                                            
CONECT   32   28   28   31   75                                       
CONECT   33   29   34   76   77                                       
CONECT   34   33   35   78   79                                       
CONECT   35   36   34   80                                            
CONECT   36   37   35   46   46                                       
CONECT   37   38   39   39   36                                       
CONECT   38   42   42   37   81                                       
CONECT   39   40   37   37   43                                       
CONECT   40   41   41   39   82                                       
CONECT   41   40   40   42   83                                       
CONECT   42   41   38   38   84                                       
CONECT   43   39   44   44                                            
CONECT   44   43   43   45   46                                       
CONECT   45   44   49   85   86                                       
CONECT   46   36   36   44   47                                       
CONECT   47   46   48   87   88                                       
CONECT   48   49   47   89   90                                       
CONECT   49   45   48   91   92                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   38                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
