COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.751   3.218  -1.755  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.967   1.446   0.856  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.076   2.685   0.749  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.042  -1.507   0.612  1.00  0.00           O  
HETATM    5  C   UNL     1       0.272   2.293   0.140  1.00  0.00           C  
HETATM    6  N   UNL     1       0.463   4.398  -1.097  1.00  0.00           N  
HETATM    7  C   UNL     1       1.113   3.551  -0.089  1.00  0.00           C  
HETATM    8  C   UNL     1       2.484   3.156  -0.574  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.974   2.751   0.339  1.00  0.00           N  
HETATM   10  C   UNL     1       4.748   2.352  -0.165  1.00  0.00           C  
HETATM   11  C   UNL     1       5.604   1.915   1.026  1.00  0.00           C  
HETATM   12  C   UNL     1       6.975   1.521   0.541  1.00  0.00           C  
HETATM   13  C   UNL     1       7.226   0.213   0.170  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.464  -3.683  -0.197  1.00  0.00           N  
HETATM   15  C   UNL     1       8.482  -0.151  -0.274  1.00  0.00           C  
HETATM   16  C   UNL     1       9.493   0.797  -0.348  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.488  -5.951  -0.017  1.00  0.00           N  
HETATM   18  N   UNL     1       3.415   2.735   0.306  1.00  0.00           N  
HETATM   19  C   UNL     1       7.978   2.469   0.463  1.00  0.00           C  
HETATM   20  C   UNL     1       9.238   2.109   0.024  1.00  0.00           C  
HETATM   21  O   UNL     1      10.729   0.441  -0.784  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.361   1.860   1.333  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.316   3.169   0.764  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.913   4.080  -0.278  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.659   3.549  -1.314  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.205   4.384  -2.270  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.006   5.750  -2.191  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.260   6.280  -1.155  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.719   5.446  -0.195  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.356   0.463   1.856  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.179  -0.827   1.871  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.648  -1.775   2.964  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.671  -2.057   3.921  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.084  -2.923   0.891  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.256  -3.059   2.194  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.639  -4.227   2.923  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.536  -3.215  -1.080  1.00  0.00           C  
HETATM   38  N   UNL     1      -0.198  -4.159  -1.910  1.00  0.00           N  
HETATM   39  C   UNL     1      -0.884  -5.288  -1.612  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.704  -4.997  -0.510  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.929  -6.587  -2.148  1.00  0.00           C  
HETATM   42  N   UNL     1      -0.144  -6.933  -3.234  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.744  -7.475  -1.588  1.00  0.00           N  
HETATM   44  C   UNL     1      -2.497  -7.153  -0.552  1.00  0.00           C  
HETATM   45  H   UNL     1      -2.044   0.969  -0.121  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.559   3.428   0.114  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.917   3.105   1.742  1.00  0.00           H  
HETATM   48  H   UNL     1       0.797   1.624   0.821  1.00  0.00           H  
HETATM   49  H   UNL     1       0.107   1.788  -0.812  1.00  0.00           H  
HETATM   50  H   UNL     1       0.965   5.265  -1.220  1.00  0.00           H  
HETATM   51  H   UNL     1       0.367   3.909  -1.974  1.00  0.00           H  
HETATM   52  H   UNL     1       1.203   4.103   0.846  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.003   2.313  -0.570  1.00  0.00           H  
HETATM   54  H   UNL     1       5.218   3.203  -0.658  1.00  0.00           H  
HETATM   55  H   UNL     1       4.660   1.526  -0.871  1.00  0.00           H  
HETATM   56  H   UNL     1       5.691   2.741   1.732  1.00  0.00           H  
HETATM   57  H   UNL     1       5.134   1.064   1.519  1.00  0.00           H  
HETATM   58  H   UNL     1       6.439  -0.525   0.228  1.00  0.00           H  
HETATM   59  H   UNL     1       8.678  -1.173  -0.563  1.00  0.00           H  
HETATM   60  H   UNL     1       3.201   2.686   1.251  1.00  0.00           H  
HETATM   61  H   UNL     1       7.779   3.491   0.749  1.00  0.00           H  
HETATM   62  H   UNL     1      10.021   2.849  -0.036  1.00  0.00           H  
HETATM   63  H   UNL     1      10.849   0.527  -1.740  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.980   0.972   1.457  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.278   2.382   2.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.950   2.290   0.884  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.247   3.700   1.714  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.814   2.482  -1.376  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.788   3.970  -3.080  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.429   6.402  -2.941  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.105   7.347  -1.093  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.136   5.860   0.614  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.331   0.237   1.564  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.361   0.908   2.852  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.228  -0.598   2.056  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.775  -1.342   3.453  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.391  -2.649   4.632  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.111  -3.253   1.051  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.188  -3.072   1.976  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.214  -4.309   3.787  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.141  -2.210  -1.090  1.00  0.00           H  
HETATM   82  H   UNL     1       0.447  -6.276  -3.634  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.184  -7.832  -3.595  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.146  -7.905  -0.127  1.00  0.00           H  
CONECT    1    8    8                                                 
CONECT    2   22   30    3   45                                       
CONECT    3    2    5   46   47                                       
CONECT    4   31   34                                                 
CONECT    5    3    7   48   49                                       
CONECT    6    7   50   51                                            
CONECT    7    5    8    6   52                                       
CONECT    8    1    1    7   18                                       
CONECT    9   23   22   53                                            
CONECT   10   11   18   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   19   19   13                                       
CONECT   13   12   15   15   58                                       
CONECT   14   34   40   37                                            
CONECT   15   13   13   16   59                                       
CONECT   16   20   20   15   21                                       
CONECT   17   44   44   40                                            
CONECT   18    8   10   60                                            
CONECT   19   12   12   20   61                                       
CONECT   20   19   16   16   62                                       
CONECT   21   16   63                                                 
CONECT   22    9    2   64   65                                       
CONECT   23   24    9   66   67                                       
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   68                                       
CONECT   26   27   25   25   69                                       
CONECT   27   28   28   26   70                                       
CONECT   28   27   27   29   71                                       
CONECT   29   28   24   24   72                                       
CONECT   30    2   31   73   74                                       
CONECT   31   32   30    4   75                                       
CONECT   32   33   31   35   76                                       
CONECT   33   32   77                                                 
CONECT   34    4   35   14   78                                       
CONECT   35   32   36   34   79                                       
CONECT   36   35   80                                                 
CONECT   37   14   38   38   81                                       
CONECT   38   37   37   39                                            
CONECT   39   40   40   38   41                                       
CONECT   40   17   14   39   39                                       
CONECT   41   43   43   39   42                                       
CONECT   42   41   82   83                                            
CONECT   43   44   41   41                                            
CONECT   44   17   17   43   84                                       
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   44                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
