COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.418   3.597   0.305  1.00  0.00           O  
HETATM    2  C   UNL     1       2.933   2.739  -0.381  1.00  0.00           C  
HETATM    3  N   UNL     1       3.620   3.085  -1.488  1.00  0.00           N  
HETATM    4  C   UNL     1       3.747   4.496  -1.861  1.00  0.00           C  
HETATM    5  C   UNL     1       2.802   1.288   0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       3.185   0.409  -1.190  1.00  0.00           C  
HETATM    7  C   UNL     1       3.036  -1.043  -0.812  1.00  0.00           C  
HETATM    8  C   UNL     1       4.096  -1.707  -0.276  1.00  0.00           C  
HETATM    9  C   UNL     1       3.960  -3.059   0.083  1.00  0.00           C  
HETATM   10  C   UNL     1       5.030  -3.777   0.644  1.00  0.00           C  
HETATM   11  C   UNL     1       4.863  -5.087   0.974  1.00  0.00           C  
HETATM   12  C   UNL     1       3.645  -5.730   0.764  1.00  0.00           C  
HETATM   13  C   UNL     1       2.586  -5.066   0.223  1.00  0.00           C  
HETATM   14  C   UNL     1       2.721  -3.713  -0.130  1.00  0.00           C  
HETATM   15  C   UNL     1       1.651  -2.995  -0.692  1.00  0.00           C  
HETATM   16  C   UNL     1       1.818  -1.686  -1.022  1.00  0.00           C  
HETATM   17  N   UNL     1       1.418   1.008   0.392  1.00  0.00           N  
HETATM   18  C   UNL     1       1.391   0.369   1.693  1.00  0.00           C  
HETATM   19  C   UNL     1       0.424   1.133   2.610  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.922   1.190   1.963  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.783   0.841   2.742  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.430   1.493   0.847  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.837   1.669  -0.460  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.080   3.110  -0.914  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.553   4.075   0.150  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.559   5.500  -0.406  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.448   4.007   1.389  1.00  0.00           C  
HETATM   28  C   UNL     1       0.629   1.404  -0.511  1.00  0.00           C  
HETATM   29  O   UNL     1       1.145   1.592  -1.592  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.879   1.704   0.884  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.583   0.408   0.573  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.793   0.038  -0.725  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.450  -1.182  -0.970  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.696  -1.631  -2.277  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.340  -2.815  -2.472  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.759  -3.588  -1.392  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.537  -3.183  -0.111  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.875  -1.967   0.131  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.643  -1.544   1.378  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.027  -0.410   1.610  1.00  0.00           C  
HETATM   41  H   UNL     1       4.032   2.399  -2.037  1.00  0.00           H  
HETATM   42  H   UNL     1       2.756   4.919  -2.024  1.00  0.00           H  
HETATM   43  H   UNL     1       4.247   5.040  -1.059  1.00  0.00           H  
HETATM   44  H   UNL     1       4.333   4.578  -2.776  1.00  0.00           H  
HETATM   45  H   UNL     1       3.466   1.073   0.840  1.00  0.00           H  
HETATM   46  H   UNL     1       2.530   0.634  -2.032  1.00  0.00           H  
HETATM   47  H   UNL     1       4.219   0.607  -1.471  1.00  0.00           H  
HETATM   48  H   UNL     1       5.036  -1.197  -0.123  1.00  0.00           H  
HETATM   49  H   UNL     1       5.980  -3.291   0.813  1.00  0.00           H  
HETATM   50  H   UNL     1       5.687  -5.636   1.405  1.00  0.00           H  
HETATM   51  H   UNL     1       3.539  -6.770   1.034  1.00  0.00           H  
HETATM   52  H   UNL     1       1.648  -5.578   0.066  1.00  0.00           H  
HETATM   53  H   UNL     1       0.700  -3.480  -0.860  1.00  0.00           H  
HETATM   54  H   UNL     1       0.994  -1.136  -1.453  1.00  0.00           H  
HETATM   55  H   UNL     1       1.053  -0.662   1.586  1.00  0.00           H  
HETATM   56  H   UNL     1       2.391   0.382   2.127  1.00  0.00           H  
HETATM   57  H   UNL     1       0.347   0.618   3.568  1.00  0.00           H  
HETATM   58  H   UNL     1       0.795   2.146   2.769  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.337   0.999  -1.160  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.560   3.287  -1.855  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.149   3.272  -1.053  1.00  0.00           H  
HETATM   62  H   UNL     1       0.465   3.795   0.422  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.586   5.812  -0.596  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.102   6.175   0.318  1.00  0.00           H  
HETATM   65  H   UNL     1       0.008   5.529  -1.337  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.267   4.880   2.017  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.493   3.991   1.082  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.221   3.102   1.952  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.171   2.047   1.876  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.156   2.454   0.143  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.459   0.662  -1.541  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.376  -1.041  -3.123  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.528  -3.159  -3.479  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.268  -4.523  -1.573  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.867  -3.795   0.716  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.858  -0.103   2.631  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   41                                            
CONECT    4    3   42   43   44                                       
CONECT    5    2    6   17   45                                       
CONECT    6    5    7   46   47                                       
CONECT    7    6    8    8   16                                       
CONECT    8    7    7    9   48                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   49                                       
CONECT   11   10   12   12   50                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14    9   13   13   15                                       
CONECT   15   14   16   16   53                                       
CONECT   16    7   15   15   54                                       
CONECT   17    5   18   28                                            
CONECT   18   17   19   55   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   30                                            
CONECT   23   22   24   28   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   26   27   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   25   66   67   68                                       
CONECT   28   17   23   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   22   31   69   70                                       
CONECT   31   30   32   32   40                                       
CONECT   32   31   31   33   71                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   72                                       
CONECT   35   34   36   36   73                                       
CONECT   36   35   35   37   74                                       
CONECT   37   36   38   38   75                                       
CONECT   38   33   37   37   39                                       
CONECT   39   38   40   40                                            
CONECT   40   31   39   39   76                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
