COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.722   1.763  -0.042  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.608  -4.305   0.509  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.716  -4.285   1.565  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.088  -3.215   0.168  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.984  -3.240  -0.892  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.241  -3.785  -0.719  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.276   2.101   1.081  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.184   1.572   0.047  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.827   0.683  -0.821  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.178   0.509  -0.743  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.075   2.863   2.107  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.920   1.217   0.210  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.380   1.029   0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.055  -1.179  -1.167  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.269   0.182  -1.833  1.00  0.00           C  
HETATM   16  C   UNL     1       8.678   1.369  -0.794  1.00  0.00           C  
HETATM   17  C   UNL     1       9.918   0.476  -0.885  1.00  0.00           C  
HETATM   18  O   UNL     1      10.084  -0.227   0.349  1.00  0.00           O  
HETATM   19  C   UNL     1       8.964  -1.043   0.702  1.00  0.00           C  
HETATM   20  C   UNL     1       7.714  -0.166   0.809  1.00  0.00           C  
HETATM   21  N   UNL     1       7.508   0.542  -0.462  1.00  0.00           N  
HETATM   22  C   UNL     1       6.284   1.354  -0.421  1.00  0.00           C  
HETATM   23  C   UNL     1       5.066   0.434  -0.323  1.00  0.00           C  
HETATM   24  N   UNL     1       3.845   1.243  -0.281  1.00  0.00           N  
HETATM   25  N   UNL     1       0.169  -0.579  -0.015  1.00  0.00           N  
HETATM   26  C   UNL     1       2.614   0.630  -0.192  1.00  0.00           C  
HETATM   27  C   UNL     1       2.521  -0.733  -0.142  1.00  0.00           C  
HETATM   28  C   UNL     1       1.257  -1.330  -0.051  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.045   2.990  -0.115  1.00  0.00           C  
HETATM   30  C   UNL     1       0.251   0.753  -0.064  1.00  0.00           C  
HETATM   31  N   UNL     1       1.466   1.378  -0.152  1.00  0.00           N  
HETATM   32  N   UNL     1       1.241   2.759  -0.182  1.00  0.00           N  
HETATM   33  O   UNL     1       1.149  -2.679   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.457  -3.741   1.397  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.925   2.279   0.998  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.010   1.559   1.190  1.00  0.00           O  
HETATM   37  N   UNL     1      -7.016   0.270  -0.619  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.467   0.083  -0.534  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.592  -4.730   0.642  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.003  -4.694   2.522  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.700  -2.831  -1.850  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.939  -3.806  -1.543  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.254   0.137  -1.556  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.674  -0.177  -1.413  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.225   2.239   2.988  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.535   3.767   2.390  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.042   3.135   1.686  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.912  -1.638  -0.673  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.363  -1.871  -1.647  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.717   0.385  -2.751  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.266   0.618  -1.777  1.00  0.00           H  
HETATM   52  H   UNL     1       8.825   2.119  -0.016  1.00  0.00           H  
HETATM   53  H   UNL     1       8.514   1.865  -1.751  1.00  0.00           H  
HETATM   54  H   UNL     1       9.792  -0.239  -1.698  1.00  0.00           H  
HETATM   55  H   UNL     1      10.797   1.092  -1.075  1.00  0.00           H  
HETATM   56  H   UNL     1       8.811  -1.803  -0.065  1.00  0.00           H  
HETATM   57  H   UNL     1       9.153  -1.526   1.661  1.00  0.00           H  
HETATM   58  H   UNL     1       6.847  -0.791   1.022  1.00  0.00           H  
HETATM   59  H   UNL     1       7.846   0.559   1.612  1.00  0.00           H  
HETATM   60  H   UNL     1       6.314   2.012   0.447  1.00  0.00           H  
HETATM   61  H   UNL     1       6.215   1.953  -1.329  1.00  0.00           H  
HETATM   62  H   UNL     1       5.036  -0.224  -1.191  1.00  0.00           H  
HETATM   63  H   UNL     1       5.135  -0.165   0.585  1.00  0.00           H  
HETATM   64  H   UNL     1       3.903   2.211  -0.316  1.00  0.00           H  
HETATM   65  H   UNL     1       3.412  -1.342  -0.172  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.509   3.965  -0.116  1.00  0.00           H  
HETATM   67  H   UNL     1       0.238  -3.722   2.224  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.428   2.965   1.668  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.514  -0.153  -1.332  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.936   0.455   0.377  1.00  0.00           H  
CONECT    1   29   30   30    8                                       
CONECT    2    6    6    3   39                                       
CONECT    3   34   34    2   40                                       
CONECT    4   33    5    5   34                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    2    2   42                                       
CONECT    7   35   11   12   12                                       
CONECT    8    1   35   35    9                                       
CONECT    9    8   10   10   43                                       
CONECT   10    9    9   12   44                                       
CONECT   11    7   45   46   47                                       
CONECT   12    7    7   10   13                                       
CONECT   13   12   36   36   37                                       
CONECT   14   38   15   48   49                                       
CONECT   15   38   14   50   51                                       
CONECT   16   17   21   52   53                                       
CONECT   17   18   16   54   55                                       
CONECT   18   19   17                                                 
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   16   22                                            
CONECT   22   21   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   26   64                                            
CONECT   25   28   28   30                                            
CONECT   26   24   27   27   31                                       
CONECT   27   26   26   28   65                                       
CONECT   28   27   33   25   25                                       
CONECT   29   32   32    1   66                                       
CONECT   30   31   25    1    1                                       
CONECT   31   26   32   30                                            
CONECT   32   31   29   29                                            
CONECT   33   28    4                                                 
CONECT   34    4    3    3   67                                       
CONECT   35    8    8    7   68                                       
CONECT   36   13   13                                                 
CONECT   37   13   38   69                                            
CONECT   38   37   14   15   70                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
