COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.264  -0.519   0.207  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.340   0.617  -0.997  1.00  0.00           C  
HETATM    3  C   UNL     1       1.031  -0.844   1.011  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.048   0.162   0.703  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.306   2.188   1.255  1.00  0.00           C  
HETATM    6  C   UNL     1       0.720   1.500   2.604  1.00  0.00           C  
HETATM    7  C   UNL     1       1.278   2.920   2.463  1.00  0.00           C  
HETATM    8  C   UNL     1       0.114   3.915   2.370  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.728   3.601   1.131  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.022   1.821  -0.019  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.922   1.065  -1.242  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.205   1.243   1.492  1.00  0.00           N  
HETATM   13  N   UNL     1      -7.517   0.692  -0.737  1.00  0.00           N  
HETATM   14  C   UNL     1       2.202  -0.499  -1.173  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.086  -0.634  -0.605  1.00  0.00           N  
HETATM   16  C   UNL     1       2.007  -0.478  -3.870  1.00  0.00           C  
HETATM   17  O   UNL     1       3.272  -0.182  -3.275  1.00  0.00           O  
HETATM   18  C   UNL     1       3.334  -0.201  -1.916  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.775  -0.002  -0.254  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.449   1.905  -1.079  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.296   1.401   0.024  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.471   1.441  -0.972  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.938  -1.796  -0.337  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.746  -0.653  -0.769  1.00  0.00           C  
HETATM   25  C   UNL     1       0.540  -2.247   0.646  1.00  0.00           C  
HETATM   26  C   UNL     1       1.590  -3.279   1.065  1.00  0.00           C  
HETATM   27  C   UNL     1       1.099  -4.681   0.701  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.216  -4.966   1.429  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.265  -3.934   1.011  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.774  -2.532   1.375  1.00  0.00           C  
HETATM   31  C   UNL     1       3.453  -0.236   0.853  1.00  0.00           C  
HETATM   32  C   UNL     1       4.590   0.063   0.118  1.00  0.00           C  
HETATM   33  O   UNL     1       5.759   0.341   0.754  1.00  0.00           O  
HETATM   34  C   UNL     1       5.745   0.306   2.182  1.00  0.00           C  
HETATM   35  C   UNL     1       4.533   0.078  -1.271  1.00  0.00           C  
HETATM   36  O   UNL     1       5.646   0.371  -1.997  1.00  0.00           O  
HETATM   37  C   UNL     1       5.873   1.746  -2.312  1.00  0.00           C  
HETATM   38  H   UNL     1       1.270  -0.807   2.073  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.005   2.151   2.091  1.00  0.00           H  
HETATM   40  H   UNL     1       1.538   0.781   2.571  1.00  0.00           H  
HETATM   41  H   UNL     1       0.190   1.408   3.552  1.00  0.00           H  
HETATM   42  H   UNL     1       1.891   3.158   3.332  1.00  0.00           H  
HETATM   43  H   UNL     1       1.885   2.984   1.560  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.507   3.832   3.262  1.00  0.00           H  
HETATM   45  H   UNL     1       0.508   4.928   2.295  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.102   3.662   0.241  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.543   4.322   1.053  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.365   0.260  -1.720  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.925   1.941  -1.890  1.00  0.00           H  
HETATM   50  H   UNL     1       1.270  -0.716  -1.674  1.00  0.00           H  
HETATM   51  H   UNL     1       2.096  -0.428  -4.956  1.00  0.00           H  
HETATM   52  H   UNL     1       1.693  -1.480  -3.577  1.00  0.00           H  
HETATM   53  H   UNL     1       1.267   0.248  -3.533  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.478   2.511  -1.120  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.274  -2.224  -1.281  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.370  -2.542   0.219  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.802  -1.485   0.249  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.112  -1.526  -0.726  1.00  0.00           H  
HETATM   59  H   UNL     1       0.380  -2.307  -0.430  1.00  0.00           H  
HETATM   60  H   UNL     1       2.526  -3.076   0.545  1.00  0.00           H  
HETATM   61  H   UNL     1       1.750  -3.218   2.141  1.00  0.00           H  
HETATM   62  H   UNL     1       0.938  -4.742  -0.376  1.00  0.00           H  
HETATM   63  H   UNL     1       1.846  -5.417   0.998  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.566  -5.966   1.170  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.056  -4.906   2.506  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.426  -3.995  -0.065  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.202  -4.138   1.530  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.614  -2.471   2.452  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.522  -1.796   1.077  1.00  0.00           H  
HETATM   70  H   UNL     1       3.497  -0.248   1.932  1.00  0.00           H  
HETATM   71  H   UNL     1       5.027   1.037   2.556  1.00  0.00           H  
HETATM   72  H   UNL     1       5.458  -0.690   2.519  1.00  0.00           H  
HETATM   73  H   UNL     1       6.738   0.546   2.562  1.00  0.00           H  
HETATM   74  H   UNL     1       6.791   1.840  -2.891  1.00  0.00           H  
HETATM   75  H   UNL     1       5.035   2.128  -2.895  1.00  0.00           H  
HETATM   76  H   UNL     1       5.965   2.320  -1.389  1.00  0.00           H  
CONECT    1   14    3   31   31                                       
CONECT    2   11   22   24   24                                       
CONECT    3    1    4   25   38                                       
CONECT    4    3   19   19   12                                       
CONECT    5    9   10   12   39                                       
CONECT    6   12    7   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8    5   46   47                                       
CONECT   10    5   20   20   21                                       
CONECT   11   21    2   48   49                                       
CONECT   12    4    6    5                                            
CONECT   13   22   22   15                                            
CONECT   14   18   18    1   50                                       
CONECT   15   13   23   24                                            
CONECT   16   17   51   52   53                                       
CONECT   17   16   18                                                 
CONECT   18   17   14   14   35                                       
CONECT   19    4    4                                                 
CONECT   20   10   10                                                 
CONECT   21   10   11                                                 
CONECT   22    2   13   13   54                                       
CONECT   23   15   55   56   57                                       
CONECT   24   15    2    2   58                                       
CONECT   25    3   26   30   59                                       
CONECT   26   25   27   60   61                                       
CONECT   27   26   28   62   63                                       
CONECT   28   27   29   64   65                                       
CONECT   29   28   30   66   67                                       
CONECT   30   29   25   68   69                                       
CONECT   31    1    1   32   70                                       
CONECT   32   31   33   35   35                                       
CONECT   33   32   34                                                 
CONECT   34   33   71   72   73                                       
CONECT   35   32   32   36   18                                       
CONECT   36   35   37                                                 
CONECT   37   36   74   75   76                                       
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
