COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.100  -0.496 -11.978  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.606  -1.605 -11.318  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.472  -1.588  -9.942  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.830  -0.461  -9.227  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.328   0.646  -9.887  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.459   0.631 -11.263  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.683  -0.441  -7.727  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.384   0.043  -7.382  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.311   0.038  -6.025  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.395  -0.392  -5.273  1.00  0.00           C  
HETATM   11  C   UNL     1       0.916   0.455  -4.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.179   0.020  -3.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.326  -0.400  -3.892  1.00  0.00           C  
HETATM   14  C   UNL     1       2.148   0.907  -3.317  1.00  0.00           C  
HETATM   15  O   UNL     1       3.070   1.361  -3.965  1.00  0.00           O  
HETATM   16  N   UNL     1       2.247   0.814  -1.976  1.00  0.00           N  
HETATM   17  N   UNL     1       3.450   1.146  -1.339  1.00  0.00           N  
HETATM   18  C   UNL     1       0.843   0.468  -5.393  1.00  0.00           C  
HETATM   19  C   UNL     1       3.590   0.941  -0.014  1.00  0.00           C  
HETATM   20  O   UNL     1       4.626   1.249   0.542  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.933  -0.129   7.993  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.875  -0.568   8.766  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.584  -0.184   8.454  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.352   0.638   7.368  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.410   1.082   6.598  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.700   0.694   6.908  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.945   1.057   7.028  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.360   0.093   6.113  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.101   0.263   5.669  1.00  0.00           C  
HETATM   30  O   UNL     1       0.546   1.224   6.034  1.00  0.00           O  
HETATM   31  C   UNL     1       1.786  -0.410   4.284  1.00  0.00           C  
HETATM   32  C   UNL     1       2.705  -1.551   4.724  1.00  0.00           C  
HETATM   33  C   UNL     1       2.840  -1.538   6.248  1.00  0.00           C  
HETATM   34  C   UNL     1       3.650  -2.755   6.699  1.00  0.00           C  
HETATM   35  C   UNL     1       3.555  -0.258   6.686  1.00  0.00           C  
HETATM   36  C   UNL     1       1.725  -0.367   2.778  1.00  0.00           C  
HETATM   37  O   UNL     1       0.806  -0.900   2.193  1.00  0.00           O  
HETATM   38  N   UNL     1       2.692   0.262   2.083  1.00  0.00           N  
HETATM   39  N   UNL     1       2.580   0.397   0.693  1.00  0.00           N  
HETATM   40  N   UNL     1       0.441  -0.632   4.821  1.00  0.00           N  
HETATM   41  H   UNL     1      -2.204  -0.509 -13.053  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.326  -2.486 -11.877  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.086  -2.455  -9.426  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.608   1.527  -9.328  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.844   1.498 -11.779  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.809  -1.451  -7.337  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.442   0.211  -7.296  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.296  -0.723  -5.769  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.128   0.012  -2.173  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.173  -0.737  -3.313  1.00  0.00           H  
HETATM   51  H   UNL     1       1.487   0.518  -1.453  1.00  0.00           H  
HETATM   52  H   UNL     1       4.183   1.522  -1.851  1.00  0.00           H  
HETATM   53  H   UNL     1       1.688   0.803  -5.976  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.941  -0.429   8.236  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.056  -1.212   9.614  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.757  -0.527   9.058  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.229   1.726   5.750  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.527   1.037   6.303  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.348   1.102   7.939  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.962   2.040   6.557  1.00  0.00           H  
HETATM   61  H   UNL     1       2.176   0.535   4.659  1.00  0.00           H  
HETATM   62  H   UNL     1       3.688  -1.422   4.272  1.00  0.00           H  
HETATM   63  H   UNL     1       2.281  -2.504   4.405  1.00  0.00           H  
HETATM   64  H   UNL     1       1.849  -1.573   6.701  1.00  0.00           H  
HETATM   65  H   UNL     1       3.746  -2.745   7.785  1.00  0.00           H  
HETATM   66  H   UNL     1       3.141  -3.667   6.388  1.00  0.00           H  
HETATM   67  H   UNL     1       4.641  -2.719   6.247  1.00  0.00           H  
HETATM   68  H   UNL     1       4.546  -0.222   6.233  1.00  0.00           H  
HETATM   69  H   UNL     1       2.977   0.608   6.365  1.00  0.00           H  
HETATM   70  H   UNL     1       3.651  -0.249   7.772  1.00  0.00           H  
HETATM   71  H   UNL     1       3.465   0.622   2.544  1.00  0.00           H  
HETATM   72  H   UNL     1       1.776   0.098   0.239  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.058  -1.423   4.565  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   44                                       
CONECT    6    1    5    5   45                                       
CONECT    7    4    8   46   47                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   18                                       
CONECT   10    9    9   13   48                                       
CONECT   11   12   14   18   18                                       
CONECT   12   11   13   13   49                                       
CONECT   13   10   12   12   50                                       
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   51                                            
CONECT   17   16   19   52                                            
CONECT   18    9   11   11   53                                       
CONECT   19   17   20   20   39                                       
CONECT   20   19   19                                                 
CONECT   21   22   22   26   54                                       
CONECT   22   21   21   23   55                                       
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   25   27                                       
CONECT   25   24   26   26   57                                       
CONECT   26   21   25   25   58                                       
CONECT   27   24   28   59   60                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   40                                       
CONECT   30   29   29                                                 
CONECT   31   32   36   40   61                                       
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   35   64                                       
CONECT   34   33   65   66   67                                       
CONECT   35   33   68   69   70                                       
CONECT   36   31   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   71                                            
CONECT   39   19   38   72                                            
CONECT   40   29   31   73                                            
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
