COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.305  -0.629  -0.712  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.147  -0.216   0.158  1.00  0.00           N  
HETATM    3  O   UNL     1      -7.407   0.155  -1.497  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.571  -1.425   0.157  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.174  -1.427   0.094  1.00  0.00           N  
HETATM    6  O   UNL     1      -7.251  -2.993   2.064  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.226  -2.219   1.089  1.00  0.00           C  
HETATM    8  N   UNL     1       1.186  -3.528  -0.354  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.105   0.755   0.370  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.611  -2.216   1.152  1.00  0.00           C  
HETATM   11  N   UNL     1       0.977  -1.237  -0.056  1.00  0.00           N  
HETATM   12  O   UNL     1       7.718  -2.789   0.307  1.00  0.00           O  
HETATM   13  C   UNL     1      -7.343  -1.421   0.283  1.00  0.00           C  
HETATM   14  N   UNL     1       3.098  -2.191  -0.264  1.00  0.00           N  
HETATM   15  O   UNL     1       0.661   7.451   0.950  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.689  -0.624  -0.646  1.00  0.00           C  
HETATM   17  N   UNL     1       5.611  -2.469   0.936  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.679  -2.941   2.072  1.00  0.00           C  
HETATM   19  N   UNL     1       2.162   6.792  -0.549  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.831   0.104  -1.380  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.931  -2.592  -0.149  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.347  -1.332  -0.014  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.484  -0.278   0.210  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.436  -2.689  -0.100  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.131  -3.696  -0.321  1.00  0.00           C  
HETATM   26  C   UNL     1       1.720  -2.322  -0.224  1.00  0.00           C  
HETATM   27  C   UNL     1       5.481  -5.498  -1.148  1.00  0.00           C  
HETATM   28  C   UNL     1       4.240  -5.360  -1.741  1.00  0.00           C  
HETATM   29  C   UNL     1       3.448  -4.266  -1.449  1.00  0.00           C  
HETATM   30  C   UNL     1       3.898  -3.301  -0.560  1.00  0.00           C  
HETATM   31  C   UNL     1       5.150  -3.440   0.038  1.00  0.00           C  
HETATM   32  C   UNL     1       5.938  -4.542  -0.261  1.00  0.00           C  
HETATM   33  C   UNL     1       6.924  -2.166   0.985  1.00  0.00           C  
HETATM   34  C   UNL     1       7.395  -1.081   1.859  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.502   1.092   0.296  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.335   1.727  -1.086  1.00  0.00           C  
HETATM   37  C   UNL     1       0.328   3.073  -0.943  1.00  0.00           C  
HETATM   38  C   UNL     1       1.707   3.170  -0.987  1.00  0.00           C  
HETATM   39  C   UNL     1       2.318   4.402  -0.856  1.00  0.00           C  
HETATM   40  C   UNL     1       1.546   5.543  -0.682  1.00  0.00           C  
HETATM   41  C   UNL     1       0.162   5.442  -0.639  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.443   4.208  -0.775  1.00  0.00           C  
HETATM   43  C   UNL     1       1.623   7.727   0.258  1.00  0.00           C  
HETATM   44  C   UNL     1       2.197   9.080   0.303  1.00  0.00           C  
HETATM   45  C   UNL     1       8.690  -0.782   1.908  1.00  0.00           C  
HETATM   46  C   UNL     1       1.665  10.002   1.100  1.00  0.00           C  
HETATM   47  H   UNL     1      -4.796  -0.012  -1.438  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.656  -2.838   1.766  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.422  -1.419   0.331  1.00  0.00           H  
HETATM   50  H   UNL     1       3.509  -1.330  -0.087  1.00  0.00           H  
HETATM   51  H   UNL     1       4.986  -2.016   1.522  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.063  -3.606   2.846  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.004  -1.921   2.276  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.060  -3.256   1.100  1.00  0.00           H  
HETATM   55  H   UNL     1       2.977   6.985  -1.038  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.280   0.771  -2.115  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.173  -0.916  -1.556  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.124   0.417  -0.378  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.701  -3.363   0.715  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.779  -3.140  -1.031  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.564  -4.679  -0.427  1.00  0.00           H  
HETATM   62  H   UNL     1       6.094  -6.358  -1.375  1.00  0.00           H  
HETATM   63  H   UNL     1       3.888  -6.110  -2.433  1.00  0.00           H  
HETATM   64  H   UNL     1       2.478  -4.161  -1.914  1.00  0.00           H  
HETATM   65  H   UNL     1       6.907  -4.655   0.204  1.00  0.00           H  
HETATM   66  H   UNL     1       6.690  -0.528   2.461  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.120   1.738   0.921  1.00  0.00           H  
HETATM   68  H   UNL     1       0.477   0.968   0.760  1.00  0.00           H  
HETATM   69  H   UNL     1       0.283   1.082  -1.710  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.314   1.852  -1.549  1.00  0.00           H  
HETATM   71  H   UNL     1       2.307   2.282  -1.122  1.00  0.00           H  
HETATM   72  H   UNL     1       3.395   4.477  -0.890  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.441   6.328  -0.503  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.520   4.129  -0.742  1.00  0.00           H  
HETATM   75  H   UNL     1       3.052   9.324  -0.311  1.00  0.00           H  
HETATM   76  H   UNL     1       9.395  -1.335   1.305  1.00  0.00           H  
HETATM   77  H   UNL     1       9.036   0.015   2.549  1.00  0.00           H  
HETATM   78  H   UNL     1       2.087  10.996   1.133  1.00  0.00           H  
HETATM   79  H   UNL     1       0.811   9.758   1.714  1.00  0.00           H  
CONECT    1   16   16    4   47                                       
CONECT    2   23   35   22                                            
CONECT    3   20   16                                                 
CONECT    4    7    7    1    5                                       
CONECT    5    4   23   24                                            
CONECT    6   18   10                                                 
CONECT    7   10    4    4   48                                       
CONECT    8   25   25   26                                            
CONECT    9   23   23                                                 
CONECT   10    6   13   13    7                                       
CONECT   11   22   26   26                                            
CONECT   12   33   33                                                 
CONECT   13   10   10   16   49                                       
CONECT   14   26   30   50                                            
CONECT   15   43   43                                                 
CONECT   16   13    3    1    1                                       
CONECT   17   31   33   51                                            
CONECT   18    6   52   53   54                                       
CONECT   19   40   43   55                                            
CONECT   20    3   56   57   58                                       
CONECT   21   24   22   22   25                                       
CONECT   22    2   21   21   11                                       
CONECT   23    9    9    5    2                                       
CONECT   24    5   21   59   60                                       
CONECT   25   21    8    8   61                                       
CONECT   26   11   11    8   14                                       
CONECT   27   28   32   32   62                                       
CONECT   28   29   29   27   63                                       
CONECT   29   28   28   30   64                                       
CONECT   30   29   14   31   31                                       
CONECT   31   30   30   32   17                                       
CONECT   32   27   27   31   65                                       
CONECT   33   17   12   12   34                                       
CONECT   34   33   45   45   66                                       
CONECT   35    2   36   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   42   36   38   38                                       
CONECT   38   37   37   39   71                                       
CONECT   39   40   40   38   72                                       
CONECT   40   41   19   39   39                                       
CONECT   41   42   42   40   73                                       
CONECT   42   41   41   37   74                                       
CONECT   43   19   44   15   15                                       
CONECT   44   43   46   46   75                                       
CONECT   45   34   34   76   77                                       
CONECT   46   44   44   78   79                                       
CONECT   47    1                                                      
CONECT   48    7                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
CONECT   79   46                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
