COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.519  -0.359  -0.117  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.685   0.328   0.596  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.001  -0.323   0.167  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.167   0.364   0.881  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.483  -0.287   0.451  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.965  -0.251   0.735  1.00  0.00           C  
HETATM    7  C   UNL     1       2.065  -0.501  -0.319  1.00  0.00           C  
HETATM    8  C   UNL     1       4.448  -0.864   0.037  1.00  0.00           C  
HETATM    9  C   UNL     1       7.859  -2.277   0.189  1.00  0.00           C  
HETATM   10  C   UNL     1       8.919  -1.665   1.107  1.00  0.00           C  
HETATM   11  C   UNL     1       8.107   0.590   0.892  1.00  0.00           C  
HETATM   12  C   UNL     1       8.262   2.034   0.490  1.00  0.00           C  
HETATM   13  C   UNL     1       5.854   2.657   0.252  1.00  0.00           C  
HETATM   14  C   UNL     1       7.119   2.856   1.089  1.00  0.00           C  
HETATM   15  C   UNL     1       4.906   3.840   0.459  1.00  0.00           C  
HETATM   16  N   UNL     1       5.194   1.400   0.698  1.00  0.00           N  
HETATM   17  C   UNL     1       5.090   0.458  -0.298  1.00  0.00           C  
HETATM   18  O   UNL     1       5.504   0.684  -1.415  1.00  0.00           O  
HETATM   19  O   UNL     1       7.073   0.193   1.385  1.00  0.00           O  
HETATM   20  N   UNL     1       9.155  -0.264   0.688  1.00  0.00           N  
HETATM   21  C   UNL     1       6.475  -2.098   0.818  1.00  0.00           C  
HETATM   22  O   UNL     1       6.184  -3.219   1.655  1.00  0.00           O  
HETATM   23  C   UNL     1       5.422  -2.000  -0.287  1.00  0.00           C  
HETATM   24  N   UNL     1       3.226  -1.028  -0.755  1.00  0.00           N  
HETATM   25  O   UNL     1       2.032   0.108   0.729  1.00  0.00           O  
HETATM   26  C   UNL     1       0.808  -0.669  -1.133  1.00  0.00           C  
HETATM   27  C   UNL     1       1.005  -0.038  -2.512  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.309  -0.097  -3.293  1.00  0.00           C  
HETATM   29  O   UNL     1       1.407   1.325  -2.359  1.00  0.00           O  
HETATM   30  N   UNL     1      -0.308  -0.011  -0.449  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.572  -0.421  -0.675  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.786  -1.334  -1.444  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.721   0.256   0.028  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.037  -0.395  -0.401  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.203   0.292   0.312  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.649   0.400   1.165  1.00  0.00           C  
HETATM   37  C   UNL     1     -15.118   0.350   1.541  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.197   0.002  -0.756  1.00  0.00           C  
HETATM   39  H   UNL     1      -6.504  -1.417   0.147  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.641  -0.255  -1.195  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.563   0.224   1.675  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.699   1.385   0.333  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.123  -0.219  -0.911  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.986  -1.381   0.431  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.045   0.260   1.959  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.181   1.421   0.617  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.605  -0.183  -0.627  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.468  -1.345   0.715  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.915  -1.325   0.918  1.00  0.00           H  
HETATM   50  H   UNL     1       4.200  -0.890   1.098  1.00  0.00           H  
HETATM   51  H   UNL     1       7.885  -1.778  -0.780  1.00  0.00           H  
HETATM   52  H   UNL     1       8.063  -3.339   0.056  1.00  0.00           H  
HETATM   53  H   UNL     1       8.565  -1.684   2.138  1.00  0.00           H  
HETATM   54  H   UNL     1       9.846  -2.232   1.025  1.00  0.00           H  
HETATM   55  H   UNL     1       9.214   2.414   0.860  1.00  0.00           H  
HETATM   56  H   UNL     1       8.236   2.114  -0.596  1.00  0.00           H  
HETATM   57  H   UNL     1       6.119   2.579  -0.803  1.00  0.00           H  
HETATM   58  H   UNL     1       6.932   2.528   2.112  1.00  0.00           H  
HETATM   59  H   UNL     1       7.391   3.911   1.090  1.00  0.00           H  
HETATM   60  H   UNL     1       5.401   4.761   0.152  1.00  0.00           H  
HETATM   61  H   UNL     1       4.006   3.694  -0.140  1.00  0.00           H  
HETATM   62  H   UNL     1       4.634   3.907   1.512  1.00  0.00           H  
HETATM   63  H   UNL     1       4.869   1.260   1.601  1.00  0.00           H  
HETATM   64  H   UNL     1       9.993   0.027   0.298  1.00  0.00           H  
HETATM   65  H   UNL     1       6.462  -1.186   1.414  1.00  0.00           H  
HETATM   66  H   UNL     1       6.813  -3.343   2.379  1.00  0.00           H  
HETATM   67  H   UNL     1       4.874  -2.940  -0.352  1.00  0.00           H  
HETATM   68  H   UNL     1       5.911  -1.798  -1.240  1.00  0.00           H  
HETATM   69  H   UNL     1       3.253  -1.516  -1.593  1.00  0.00           H  
HETATM   70  H   UNL     1       0.589  -1.731  -1.247  1.00  0.00           H  
HETATM   71  H   UNL     1       1.776  -0.584  -3.055  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.080   0.449  -2.750  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.168   0.353  -4.276  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.615  -1.137  -3.410  1.00  0.00           H  
HETATM   75  H   UNL     1       0.767   1.873  -1.883  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.138   0.719   0.166  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.599   0.152   1.106  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.735   1.313  -0.235  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.159  -0.291  -1.480  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.022  -1.453  -0.138  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.217   1.349   0.049  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.081   0.188   1.390  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.527   0.296   2.243  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.663   1.457   0.901  1.00  0.00           H  
HETATM   85  H   UNL     1     -16.056  -0.113   1.235  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.953   0.170   2.603  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.167   1.424   1.358  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.246   1.076  -0.938  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.375  -0.426  -1.329  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.134  -0.461  -1.061  1.00  0.00           H  
CONECT    1   35    2   39   40                                       
CONECT    2    3    1   41   42                                       
CONECT    3    4    2   43   44                                       
CONECT    4    5    3   45   46                                       
CONECT    5   36    4   47   48                                       
CONECT    6   37   38   36   49                                       
CONECT    7   26   25   25   24                                       
CONECT    8   24   23   17   50                                       
CONECT    9   21   10   51   52                                       
CONECT   10    9   20   53   54                                       
CONECT   11   20   12   19   19                                       
CONECT   12   11   14   55   56                                       
CONECT   13   16   15   14   57                                       
CONECT   14   13   12   58   59                                       
CONECT   15   13   60   61   62                                       
CONECT   16   17   13   63                                            
CONECT   17    8   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   11   11                                                 
CONECT   20   10   11   64                                            
CONECT   21   22   23    9   65                                       
CONECT   22   21   66                                                 
CONECT   23    8   21   67   68                                       
CONECT   24    7    8   69                                            
CONECT   25    7    7                                                 
CONECT   26   30   27    7   70                                       
CONECT   27   29   26   28   71                                       
CONECT   28   27   72   73   74                                       
CONECT   29   27   75                                                 
CONECT   30   31   26   76                                            
CONECT   31   33   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   34   31   77   78                                       
CONECT   34   33   35   79   80                                       
CONECT   35   34    1   81   82                                       
CONECT   36    6    5   83   84                                       
CONECT   37    6   85   86   87                                       
CONECT   38    6   88   89   90                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
