COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.789   3.858   0.396  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.154   0.860   0.102  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.002   0.096   1.243  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.396  -1.229   1.246  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.943  -1.789   0.106  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.096  -1.025  -1.035  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.707   0.302  -1.035  1.00  0.00           C  
HETATM    8  C   UNL     1       1.751   1.392  -0.872  1.00  0.00           C  
HETATM    9  C   UNL     1       3.128   1.188  -0.373  1.00  0.00           C  
HETATM   10  C   UNL     1       4.125   2.117  -0.670  1.00  0.00           C  
HETATM   11  C   UNL     1       1.525  -6.493   1.580  1.00  0.00           C  
HETATM   12  C   UNL     1       0.283  -1.865  -1.725  1.00  0.00           C  
HETATM   13  C   UNL     1       1.306  -1.079  -0.867  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.492   0.406  -1.402  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.013  -1.044  -1.493  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.260   1.160  -0.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.226   2.391   0.399  1.00  0.00           C  
HETATM   18  N   UNL     1       0.130  -3.237  -1.235  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.211  -4.257  -1.943  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.252  -5.312  -1.209  1.00  0.00           N  
HETATM   21  C   UNL     1       0.076  -4.981   0.045  1.00  0.00           C  
HETATM   22  C   UNL     1       0.328  -3.651   0.038  1.00  0.00           C  
HETATM   23  C   UNL     1       0.155  -5.907   1.231  1.00  0.00           C  
HETATM   24  C   UNL     1       0.907  -5.410   2.467  1.00  0.00           C  
HETATM   25  N   UNL     1       0.929   0.336  -1.033  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.778   1.320   0.755  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.480   1.658  -0.627  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.724   2.305   0.100  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.503   3.070   1.171  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.066   4.537   1.168  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.568   4.623   1.467  1.00  0.00           C  
HETATM   32  O   UNL     1       1.361   2.513  -1.137  1.00  0.00           O  
HETATM   33  C   UNL     1       5.413   1.919  -0.199  1.00  0.00           C  
HETATM   34  C   UNL     1       5.708   0.798   0.564  1.00  0.00           C  
HETATM   35  C   UNL     1       4.721  -0.124   0.859  1.00  0.00           C  
HETATM   36  C   UNL     1       3.434   0.067   0.401  1.00  0.00           C  
HETATM   37  C   UNL     1       7.111   0.585   1.074  1.00  0.00           C  
HETATM   38  N   UNL     1       7.329   1.413   2.268  1.00  0.00           N  
HETATM   39  O   UNL     1       6.387   2.822  -0.486  1.00  0.00           O  
HETATM   40  C   UNL     1       6.013   3.951  -1.277  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.722   3.919   0.609  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.990   4.295  -0.582  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.574   0.533   2.134  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.276  -1.827   2.137  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.250  -2.825   0.108  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.524  -1.462  -1.925  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.830   0.900  -1.926  1.00  0.00           H  
HETATM   48  H   UNL     1       3.894   2.988  -1.265  1.00  0.00           H  
HETATM   49  H   UNL     1       1.552  -7.510   1.972  1.00  0.00           H  
HETATM   50  H   UNL     1       2.369  -6.209   0.952  1.00  0.00           H  
HETATM   51  H   UNL     1       0.568  -1.857  -2.777  1.00  0.00           H  
HETATM   52  H   UNL     1       1.228  -1.372   0.180  1.00  0.00           H  
HETATM   53  H   UNL     1       2.318  -1.248  -1.235  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.604   0.901  -2.366  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.696  -1.156  -2.336  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.496  -1.340  -0.562  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.025   1.954   1.377  1.00  0.00           H  
HETATM   58  H   UNL     1       0.626  -3.043   0.879  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.719  -6.539   1.394  1.00  0.00           H  
HETATM   60  H   UNL     1       0.529  -5.714   3.443  1.00  0.00           H  
HETATM   61  H   UNL     1       1.345  -4.413   2.422  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.865   1.530  -1.508  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.925   2.742  -0.878  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.570   3.009   0.958  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.302   2.633   2.149  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.267   4.974   0.191  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.621   5.082   1.932  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.367   4.186   2.445  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.257   5.668   1.466  1.00  0.00           H  
HETATM   70  H   UNL     1       4.957  -0.994   1.454  1.00  0.00           H  
HETATM   71  H   UNL     1       2.665  -0.655   0.633  1.00  0.00           H  
HETATM   72  H   UNL     1       7.249  -0.465   1.330  1.00  0.00           H  
HETATM   73  H   UNL     1       7.825   0.868   0.301  1.00  0.00           H  
HETATM   74  H   UNL     1       6.638   1.215   2.976  1.00  0.00           H  
HETATM   75  H   UNL     1       8.263   1.288   2.629  1.00  0.00           H  
HETATM   76  H   UNL     1       6.882   4.591  -1.432  1.00  0.00           H  
HETATM   77  H   UNL     1       5.636   3.611  -2.242  1.00  0.00           H  
HETATM   78  H   UNL     1       5.234   4.514  -0.762  1.00  0.00           H  
CONECT    1   17   31   41   42                                       
CONECT    2    3   28    7    7                                       
CONECT    3    4    4    2   43                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    2    2    6   47                                       
CONECT    8    9   25   32   32                                       
CONECT    9   10   10   36    8                                       
CONECT   10   33    9    9   48                                       
CONECT   11   23   24   49   50                                       
CONECT   12   13   18   15   51                                       
CONECT   13   25   12   52   53                                       
CONECT   14   25   15   16   54                                       
CONECT   15   12   14   55   56                                       
CONECT   16   26   26   14   27                                       
CONECT   17   27    1   28   57                                       
CONECT   18   19   12   22                                            
CONECT   19   20   20   18                                            
CONECT   20   19   19   21                                            
CONECT   21   20   23   22   22                                       
CONECT   22   21   21   18   58                                       
CONECT   23   21   11   24   59                                       
CONECT   24   23   11   60   61                                       
CONECT   25   13    8   14                                            
CONECT   26   16   16                                                 
CONECT   27   16   17   62                                            
CONECT   28   17    2   29   63                                       
CONECT   29   28   30   64   65                                       
CONECT   30   31   29   66   67                                       
CONECT   31    1   30   68   69                                       
CONECT   32    8    8                                                 
CONECT   33   39   34   34   10                                       
CONECT   34   37   33   33   35                                       
CONECT   35   34   36   36   70                                       
CONECT   36   35   35    9   71                                       
CONECT   37   38   34   72   73                                       
CONECT   38   37   74   75                                            
CONECT   39   40   33                                                 
CONECT   40   39   76   77   78                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
