COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.930  -1.688   1.866  1.00  0.00           C  
HETATM    2  C   UNL     1       3.763  -1.553   1.127  1.00  0.00           C  
HETATM    3  C   UNL     1       1.821  -1.682   0.084  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.603  -1.184  -0.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.053  -0.535   1.333  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.968  -1.761  -0.454  1.00  0.00           C  
HETATM    7  C   UNL     1      11.071   0.828  -2.423  1.00  0.00           C  
HETATM    8  C   UNL     1      10.228   1.068  -1.170  1.00  0.00           C  
HETATM    9  C   UNL     1      11.148   1.236   0.041  1.00  0.00           C  
HETATM   10  C   UNL     1       9.388   2.335  -1.353  1.00  0.00           C  
HETATM   11  C   UNL     1       8.502   2.536  -0.122  1.00  0.00           C  
HETATM   12  C   UNL     1       6.667   1.585   1.140  1.00  0.00           C  
HETATM   13  C   UNL     1       5.638   0.484   1.130  1.00  0.00           C  
HETATM   14  C   UNL     1       5.861  -0.671   1.864  1.00  0.00           C  
HETATM   15  C   UNL     1       4.495   0.635   0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       3.538  -0.383   0.383  1.00  0.00           C  
HETATM   17  C   UNL     1       0.493  -2.198  -0.406  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.583  -0.891   1.433  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.720   0.078   1.771  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.258  -1.231  -0.564  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.544  -2.814  -1.636  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.615  -0.942  -0.824  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.734   1.071   0.067  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.122   1.654   0.137  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.942   1.359   1.210  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.215   1.893   1.275  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.668   2.724   0.267  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.848   3.020  -0.806  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.573   2.489  -0.868  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.398  -0.462  -0.350  1.00  0.00           C  
HETATM   31  C   UNL     1       8.413   0.146   0.276  1.00  0.00           C  
HETATM   32  C   UNL     1       9.297  -0.126  -0.943  1.00  0.00           C  
HETATM   33  N   UNL     1       7.628   1.368   0.050  1.00  0.00           N  
HETATM   34  N   UNL     1       2.659  -2.356   0.917  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.022  -0.797  -0.111  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.373  -2.392  -1.207  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.646  -2.116  -1.452  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.779  -0.214  -0.636  1.00  0.00           N  
HETATM   39  N   UNL     1       2.334  -0.528  -0.229  1.00  0.00           N  
HETATM   40  O   UNL     1      -0.374   0.025  -0.796  1.00  0.00           O  
HETATM   41  H   UNL     1       5.106  -2.584   2.443  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.215  -1.471   1.869  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.863   0.158   1.559  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.990  -1.958  -1.525  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.135  -2.691   0.090  1.00  0.00           H  
HETATM   46  H   UNL     1      11.668  -0.075  -2.293  1.00  0.00           H  
HETATM   47  H   UNL     1      10.415   0.709  -3.286  1.00  0.00           H  
HETATM   48  H   UNL     1      11.733   1.679  -2.585  1.00  0.00           H  
HETATM   49  H   UNL     1      11.809   2.087  -0.120  1.00  0.00           H  
HETATM   50  H   UNL     1      10.546   1.406   0.934  1.00  0.00           H  
HETATM   51  H   UNL     1      11.744   0.333   0.172  1.00  0.00           H  
HETATM   52  H   UNL     1      10.047   3.195  -1.472  1.00  0.00           H  
HETATM   53  H   UNL     1       8.761   2.231  -2.239  1.00  0.00           H  
HETATM   54  H   UNL     1       9.129   2.654   0.762  1.00  0.00           H  
HETATM   55  H   UNL     1       7.891   3.429  -0.255  1.00  0.00           H  
HETATM   56  H   UNL     1       6.173   2.547   1.002  1.00  0.00           H  
HETATM   57  H   UNL     1       7.194   1.581   2.095  1.00  0.00           H  
HETATM   58  H   UNL     1       6.769  -0.774   2.439  1.00  0.00           H  
HETATM   59  H   UNL     1       4.332   1.538  -0.173  1.00  0.00           H  
HETATM   60  H   UNL     1       0.535  -2.342  -1.486  1.00  0.00           H  
HETATM   61  H   UNL     1       0.270  -3.148   0.079  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.719  -1.819   1.988  1.00  0.00           H  
HETATM   63  H   UNL     1       0.371  -0.440   1.704  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.564   1.020   1.247  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.738   0.257   2.846  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.603  -3.760  -2.153  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.079   1.756  -0.471  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.352   0.920   1.077  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.588   0.710   1.998  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.856   1.662   2.113  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.663   3.141   0.317  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.202   3.668  -1.593  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.931   2.723  -1.704  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.339   0.482   0.171  1.00  0.00           H  
HETATM   75  H   UNL     1       7.739  -0.696   0.432  1.00  0.00           H  
HETATM   76  H   UNL     1       9.041   0.276   1.158  1.00  0.00           H  
HETATM   77  H   UNL     1       8.669  -0.270  -1.823  1.00  0.00           H  
HETATM   78  H   UNL     1       9.891  -1.023  -0.769  1.00  0.00           H  
HETATM   79  H   UNL     1       2.509  -3.237   1.294  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.624  -0.555  -0.969  1.00  0.00           H  
HETATM   81  H   UNL     1       0.474   0.446  -0.601  1.00  0.00           H  
CONECT    1    2    2   14   41                                       
CONECT    2    1    1   16   34                                       
CONECT    3   17   34   39   39                                       
CONECT    4    6   17   18   40                                       
CONECT    5   19   35   42   43                                       
CONECT    6    4   35   44   45                                       
CONECT    7    8   46   47   48                                       
CONECT    8    7    9   10   32                                       
CONECT    9    8   49   50   51                                       
CONECT   10    8   11   52   53                                       
CONECT   11   10   33   54   55                                       
CONECT   12   13   33   56   57                                       
CONECT   13   12   14   14   15                                       
CONECT   14    1   13   13   58                                       
CONECT   15   13   16   16   59                                       
CONECT   16    2   15   15   39                                       
CONECT   17    3    4   60   61                                       
CONECT   18    4   19   62   63                                       
CONECT   19    5   18   64   65                                       
CONECT   20   30   30   35   36                                       
CONECT   21   36   36   37   66                                       
CONECT   22   30   37   37   38                                       
CONECT   23   38   24   67   68                                       
CONECT   24   25   25   29   23                                       
CONECT   25   24   24   26   69                                       
CONECT   26   25   27   27   70                                       
CONECT   27   26   26   28   71                                       
CONECT   28   27   29   29   72                                       
CONECT   29   24   28   28   73                                       
CONECT   30   20   20   22   74                                       
CONECT   31   32   33   75   76                                       
CONECT   32    8   31   77   78                                       
CONECT   33   11   12   31                                            
CONECT   34    2    3   79                                            
CONECT   35    5    6   20                                            
CONECT   36   20   21   21                                            
CONECT   37   21   22   22                                            
CONECT   38   22   23   80                                            
CONECT   39    3    3   16                                            
CONECT   40    4   81                                                 
CONECT   41    1                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
