COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.636   1.962  -0.216  1.00  0.00           N  
HETATM    2  C   UNL     1       0.198   0.164   1.195  1.00  0.00           C  
HETATM    3  C   UNL     1       1.250  -0.763   3.160  1.00  0.00           C  
HETATM    4  N   UNL     1       6.432   2.643  -0.080  1.00  0.00           N  
HETATM    5  C   UNL     1       1.253  -2.153   2.541  1.00  0.00           C  
HETATM    6  O   UNL     1       1.791  -4.355   0.957  1.00  0.00           O  
HETATM    7  C   UNL     1       7.710   2.903  -0.256  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.412   0.232  -3.473  1.00  0.00           O  
HETATM    9  C   UNL     1       3.501   1.490   0.404  1.00  0.00           C  
HETATM   10  C   UNL     1       1.260   1.194   0.806  1.00  0.00           C  
HETATM   11  N   UNL     1       4.799   0.811   0.365  1.00  0.00           N  
HETATM   12  C   UNL     1       6.965   0.364   0.199  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.234   1.803  -2.697  1.00  0.00           O  
HETATM   14  C   UNL     1       5.016  -0.524   0.538  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.919  -1.449  -1.655  1.00  0.00           O  
HETATM   16  C   UNL     1       6.018   1.401   0.147  1.00  0.00           C  
HETATM   17  N   UNL     1       6.287  -0.784   0.440  1.00  0.00           N  
HETATM   18  N   UNL     1       9.295  -0.288   0.044  1.00  0.00           N  
HETATM   19  C   UNL     1       8.318   0.691   0.005  1.00  0.00           C  
HETATM   20  O   UNL     1       2.569   0.747   1.221  1.00  0.00           O  
HETATM   21  C   UNL     1       1.889  -3.242   0.505  1.00  0.00           C  
HETATM   22  C   UNL     1       1.720  -3.026  -0.982  1.00  0.00           C  
HETATM   23  C   UNL     1       0.280  -3.328  -1.313  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.903  -2.757  -2.081  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.738  -1.544  -2.469  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.295  -0.068  -1.547  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.019   0.774  -1.724  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.966  -0.235  -2.239  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.401   0.124   0.988  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.400   0.937   1.248  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.640   1.454   1.666  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.341   1.479  -0.545  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.213   0.725  -0.128  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.090  -0.387   1.272  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.060  -0.543   1.865  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.146  -0.632   3.022  1.00  0.00           C  
HETATM   37  C   UNL     1       1.353   1.316  -0.731  1.00  0.00           C  
HETATM   38  C   UNL     1       2.862   1.515  -1.002  1.00  0.00           C  
HETATM   39  N   UNL     1      -7.910   1.677   3.006  1.00  0.00           N  
HETATM   40  N   UNL     1      -8.553   1.707   0.741  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.195   0.997  -0.980  1.00  0.00           N  
HETATM   42  N   UNL     1       0.121   0.068   2.675  1.00  0.00           N  
HETATM   43  N   UNL     1       2.071  -2.152   1.303  1.00  0.00           N  
HETATM   44  N   UNL     1      -0.469  -2.397  -1.980  1.00  0.00           N  
HETATM   45  N   UNL     1      -4.934   0.238  -0.272  1.00  0.00           N  
HETATM   46  N   UNL     1      -5.265   0.560   1.873  1.00  0.00           N  
HETATM   47  O   UNL     1      -0.215  -4.391  -0.986  1.00  0.00           O  
HETATM   48  O   UNL     1       0.607   2.444  -1.191  1.00  0.00           O  
HETATM   49  O   UNL     1       3.095   2.774  -1.636  1.00  0.00           O  
HETATM   50  H   UNL     1      -0.770   0.474   0.800  1.00  0.00           H  
HETATM   51  H   UNL     1       0.465  -0.808   0.781  1.00  0.00           H  
HETATM   52  H   UNL     1       1.149  -0.852   4.249  1.00  0.00           H  
HETATM   53  H   UNL     1       2.185  -0.246   2.936  1.00  0.00           H  
HETATM   54  H   UNL     1       1.708  -2.860   3.254  1.00  0.00           H  
HETATM   55  H   UNL     1       0.248  -2.500   2.313  1.00  0.00           H  
HETATM   56  H   UNL     1       8.013   3.923  -0.438  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.823   0.993  -3.377  1.00  0.00           H  
HETATM   58  H   UNL     1       3.616   2.504   0.787  1.00  0.00           H  
HETATM   59  H   UNL     1       1.031   2.162   1.251  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.483   2.402  -2.808  1.00  0.00           H  
HETATM   61  H   UNL     1       4.246  -1.257   0.729  1.00  0.00           H  
HETATM   62  H   UNL     1       9.050  -1.212   0.207  1.00  0.00           H  
HETATM   63  H   UNL     1      10.226  -0.049  -0.091  1.00  0.00           H  
HETATM   64  H   UNL     1       1.934  -1.982  -1.208  1.00  0.00           H  
HETATM   65  H   UNL     1       2.384  -3.679  -1.535  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.250  -3.151  -1.122  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.022  -3.537  -2.841  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.033  -1.612  -3.529  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.993   0.171  -2.358  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.706   1.210  -0.777  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.186  -0.366  -1.493  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.130   1.686  -1.253  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.590  -0.117   3.878  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.942  -1.665   3.280  1.00  0.00           H  
HETATM   75  H   UNL     1       0.997   0.403  -1.209  1.00  0.00           H  
HETATM   76  H   UNL     1       3.250   0.702  -1.615  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.775   2.023   3.275  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.233   1.489   3.674  1.00  0.00           H  
HETATM   79  H   UNL     1       2.696  -1.442   1.070  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.083  -1.597  -2.358  1.00  0.00           H  
HETATM   81  H   UNL     1       0.539   2.506  -2.153  1.00  0.00           H  
HETATM   82  H   UNL     1       2.714   2.845  -2.522  1.00  0.00           H  
CONECT    1   19    7    7                                            
CONECT    2   10   42   50   51                                       
CONECT    3    5   42   52   53                                       
CONECT    4   16   16    7                                            
CONECT    5   43    3   54   55                                       
CONECT    6   21   21                                                 
CONECT    7    1    1    4   56                                       
CONECT    8   28   57                                                 
CONECT    9   38   11   20   58                                       
CONECT   10   37   20    2   59                                       
CONECT   11   14   16    9                                            
CONECT   12   17   19   19   16                                       
CONECT   13   27   60                                                 
CONECT   14   17   17   11   61                                       
CONECT   15   26   25                                                 
CONECT   16   12   11    4    4                                       
CONECT   17   12   14   14                                            
CONECT   18   19   62   63                                            
CONECT   19   18   12   12    1                                       
CONECT   20    9   10                                                 
CONECT   21    6    6   22   43                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   44   47   47                                       
CONECT   24   44   25   66   67                                       
CONECT   25   15   24   28   68                                       
CONECT   26   15   45   27   69                                       
CONECT   27   26   28   13   70                                       
CONECT   28   25   27    8   71                                       
CONECT   29   46   46   34   45                                       
CONECT   30   31   46   33   33                                       
CONECT   31   39   40   40   30                                       
CONECT   32   40   41   41   72                                       
CONECT   33   30   30   41   45                                       
CONECT   34   29   35   35   35                                       
CONECT   35   36   34   34   34                                       
CONECT   36   42   35   73   74                                       
CONECT   37   38   48   10   75                                       
CONECT   38   49   37    9   76                                       
CONECT   39   31   77   78                                            
CONECT   40   31   31   32                                            
CONECT   41   32   32   33                                            
CONECT   42    2    3   36                                            
CONECT   43   21    5   79                                            
CONECT   44   23   24   80                                            
CONECT   45   29   33   26                                            
CONECT   46   30   29   29                                            
CONECT   47   23   23                                                 
CONECT   48   37   81                                                 
CONECT   49   38   82                                                 
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   48                                                      
CONECT   82   49                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
