COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.119  -2.192  -1.069  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.900  -1.304  -0.779  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.199  -1.602  -0.614  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.104  -0.654  -0.292  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.441  -0.980  -0.125  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.355   0.010   0.206  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.697  -0.317   0.373  1.00  0.00           N  
HETATM    8  C   UNL     1      -9.667   0.724   0.722  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.240   1.337  -0.558  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.141  -1.702   0.199  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.059  -2.435   1.540  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.417   0.011  -0.620  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.276   1.013  -0.296  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.785   2.426  -0.121  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.691   0.681  -0.123  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.627   1.668   0.211  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.939   1.332   0.372  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.951   0.304  -0.808  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.204   0.029   0.498  1.00  0.00           C  
HETATM   20  N   UNL     1       1.222   0.314   0.315  1.00  0.00           N  
HETATM   21  C   UNL     1       1.785   1.507   0.539  1.00  0.00           C  
HETATM   22  O   UNL     1       1.170   2.484   0.920  1.00  0.00           O  
HETATM   23  N   UNL     1       3.109   1.504   0.295  1.00  0.00           N  
HETATM   24  C   UNL     1       3.448   0.143  -0.140  1.00  0.00           C  
HETATM   25  C   UNL     1       2.130  -0.595  -0.095  1.00  0.00           C  
HETATM   26  O   UNL     1       1.931  -1.758  -0.374  1.00  0.00           O  
HETATM   27  C   UNL     1       4.443  -0.493   0.826  1.00  0.00           C  
HETATM   28  C   UNL     1       5.746   0.314   0.818  1.00  0.00           C  
HETATM   29  N   UNL     1       6.219   0.433  -0.568  1.00  0.00           N  
HETATM   30  C   UNL     1       5.306   0.972  -1.585  1.00  0.00           C  
HETATM   31  C   UNL     1       4.006   0.160  -1.559  1.00  0.00           C  
HETATM   32  C   UNL     1       7.469   0.055  -0.900  1.00  0.00           C  
HETATM   33  O   UNL     1       7.810   0.041  -2.068  1.00  0.00           O  
HETATM   34  C   UNL     1       8.419  -0.341   0.147  1.00  0.00           C  
HETATM   35  N   UNL     1       8.379   0.018   1.480  1.00  0.00           N  
HETATM   36  C   UNL     1       9.435  -0.563   2.077  1.00  0.00           C  
HETATM   37  N   UNL     1      10.107  -1.248   1.188  1.00  0.00           N  
HETATM   38  C   UNL     1       9.516  -1.142  -0.003  1.00  0.00           C  
HETATM   39  H   UNL     1      -6.770  -2.000  -0.253  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.475   0.286   1.308  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.173   1.500   1.306  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.962   2.111  -0.298  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.433   1.775  -1.144  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.735   0.561  -1.142  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.170  -1.713  -0.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.498  -2.201  -0.527  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.030  -2.425   1.898  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.701  -1.937   2.266  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.389  -3.466   1.411  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.832   2.948  -1.076  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.413   2.942   0.606  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.755   2.412   0.235  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.310   2.692   0.341  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.660   2.093   0.630  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.551  -0.333  -1.597  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.822   1.350  -1.087  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.604   0.666   1.287  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.332  -1.018   0.776  1.00  0.00           H  
HETATM   59  H   UNL     1       3.719   2.253   0.389  1.00  0.00           H  
HETATM   60  H   UNL     1       4.022  -0.496   1.831  1.00  0.00           H  
HETATM   61  H   UNL     1       4.647  -1.517   0.514  1.00  0.00           H  
HETATM   62  H   UNL     1       5.563   1.307   1.229  1.00  0.00           H  
HETATM   63  H   UNL     1       6.496  -0.198   1.421  1.00  0.00           H  
HETATM   64  H   UNL     1       5.089   2.017  -1.364  1.00  0.00           H  
HETATM   65  H   UNL     1       5.767   0.893  -2.569  1.00  0.00           H  
HETATM   66  H   UNL     1       4.209  -0.861  -1.882  1.00  0.00           H  
HETATM   67  H   UNL     1       3.279   0.617  -2.230  1.00  0.00           H  
HETATM   68  H   UNL     1       7.715   0.583   1.906  1.00  0.00           H  
HETATM   69  H   UNL     1       9.688  -0.478   3.123  1.00  0.00           H  
HETATM   70  H   UNL     1       9.848  -1.602  -0.922  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5   15                                       
CONECT    5    4    4    6   39                                       
CONECT    6    5    7   17   17                                       
CONECT    7   10    6    8                                            
CONECT    8    7    9   40   41                                       
CONECT    9    8   42   43   44                                       
CONECT   10   11    7   45   46                                       
CONECT   11   10   47   48   49                                       
CONECT   12    2   18   13   13                                       
CONECT   13   12   12   15   14                                       
CONECT   14   13   50   51   52                                       
CONECT   15    4   13   16   16                                       
CONECT   16   15   15   17   53                                       
CONECT   17    6    6   16   54                                       
CONECT   18   19   12   55   56                                       
CONECT   19   20   18   57   58                                       
CONECT   20   25   21   19                                            
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   59                                            
CONECT   24   27   31   23   25                                       
CONECT   25   24   26   26   20                                       
CONECT   26   25   25                                                 
CONECT   27   28   24   60   61                                       
CONECT   28   29   27   62   63                                       
CONECT   29   32   28   30                                            
CONECT   30   29   31   64   65                                       
CONECT   31   30   24   66   67                                       
CONECT   32   34   33   33   29                                       
CONECT   33   32   32                                                 
CONECT   34   38   38   35   32                                       
CONECT   35   36   34   68                                            
CONECT   36   37   37   35   69                                       
CONECT   37   38   36   36                                            
CONECT   38   37   34   34   70                                       
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
