COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.655  -1.712   0.032  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.273  -0.372  -0.218  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.034   0.079   0.302  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.297  -0.777   0.995  1.00  0.00           N  
HETATM    5  N   UNL     1      -5.831  -2.494   0.748  1.00  0.00           N  
HETATM    6  C   UNL     1       6.492  -4.853  -1.417  1.00  0.00           C  
HETATM    7  C   UNL     1       5.589  -4.025  -0.540  1.00  0.00           C  
HETATM    8  C   UNL     1       5.546  -2.654  -0.694  1.00  0.00           C  
HETATM    9  C   UNL     1       4.800  -4.641   0.415  1.00  0.00           C  
HETATM   10  C   UNL     1       3.970  -3.885   1.222  1.00  0.00           C  
HETATM   11  C   UNL     1       3.927  -2.511   1.076  1.00  0.00           C  
HETATM   12  C   UNL     1       4.713  -1.891   0.115  1.00  0.00           C  
HETATM   13  N   UNL     1       4.668  -0.499  -0.038  1.00  0.00           N  
HETATM   14  N   UNL     1       5.745   0.330  -0.378  1.00  0.00           N  
HETATM   15  C   UNL     1       5.316   1.565  -0.427  1.00  0.00           C  
HETATM   16  C   UNL     1       6.152   2.775  -0.757  1.00  0.00           C  
HETATM   17  C   UNL     1       6.439   3.562   0.523  1.00  0.00           C  
HETATM   18  C   UNL     1       7.472   2.326  -1.387  1.00  0.00           C  
HETATM   19  C   UNL     1       5.393   3.665  -1.743  1.00  0.00           C  
HETATM   20  C   UNL     1       3.952   1.574  -0.120  1.00  0.00           C  
HETATM   21  C   UNL     1       3.568   0.289   0.111  1.00  0.00           C  
HETATM   22  N   UNL     1       2.284  -0.142   0.443  1.00  0.00           N  
HETATM   23  C   UNL     1       1.282   0.753   0.558  1.00  0.00           C  
HETATM   24  O   UNL     1       1.498   1.935   0.373  1.00  0.00           O  
HETATM   25  N   UNL     1       0.041   0.337   0.879  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.019   1.250   0.901  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.283   0.858   0.485  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.808   2.550   1.345  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.854   3.452   1.367  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.113   3.066   0.949  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.332   1.766   0.509  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.607   1.375   0.091  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.113   0.463  -0.961  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.308  -0.035  -1.441  1.00  0.00           C  
HETATM   35  N   UNL     1      -9.153   0.793  -2.185  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.679  -1.359  -1.191  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.872  -2.189  -0.474  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.695  -2.022   1.204  1.00  0.00           C  
HETATM   39  H   UNL     1       7.469  -4.952  -0.943  1.00  0.00           H  
HETATM   40  H   UNL     1       6.056  -5.841  -1.559  1.00  0.00           H  
HETATM   41  H   UNL     1       6.607  -4.364  -2.385  1.00  0.00           H  
HETATM   42  H   UNL     1       6.160  -2.174  -1.442  1.00  0.00           H  
HETATM   43  H   UNL     1       4.832  -5.714   0.530  1.00  0.00           H  
HETATM   44  H   UNL     1       3.355  -4.368   1.966  1.00  0.00           H  
HETATM   45  H   UNL     1       3.278  -1.921   1.707  1.00  0.00           H  
HETATM   46  H   UNL     1       6.979   2.928   1.226  1.00  0.00           H  
HETATM   47  H   UNL     1       7.043   4.437   0.284  1.00  0.00           H  
HETATM   48  H   UNL     1       5.498   3.882   0.972  1.00  0.00           H  
HETATM   49  H   UNL     1       7.268   1.766  -2.299  1.00  0.00           H  
HETATM   50  H   UNL     1       8.077   3.201  -1.625  1.00  0.00           H  
HETATM   51  H   UNL     1       8.013   1.692  -0.684  1.00  0.00           H  
HETATM   52  H   UNL     1       4.453   3.985  -1.295  1.00  0.00           H  
HETATM   53  H   UNL     1       5.998   4.540  -1.982  1.00  0.00           H  
HETATM   54  H   UNL     1       5.189   3.105  -2.656  1.00  0.00           H  
HETATM   55  H   UNL     1       3.316   2.445  -0.079  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.118  -0.595   1.094  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.450  -0.153   0.143  1.00  0.00           H  
HETATM   58  H   UNL     1       0.175   2.855   1.672  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.687   4.462   1.714  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.928   3.774   0.968  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.831   1.487  -1.157  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.900   1.712  -2.362  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.994   0.448  -2.525  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.618  -1.731  -1.574  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.172  -3.210  -0.289  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.057  -2.679   1.775  1.00  0.00           H  
HETATM   67  H   UNL     1       2.111  -1.085   0.591  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.191   2.013  -0.347  1.00  0.00           H  
CONECT    1    2    2    5   37                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3   38                                            
CONECT    5    1   38   38                                            
CONECT    6    7   39   40   41                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   12   42                                       
CONECT    9    7   10   10   43                                       
CONECT   10    9    9   11   44                                       
CONECT   11   10   12   12   45                                       
CONECT   12    8   11   11   13                                       
CONECT   13   12   14   21                                            
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   20                                       
CONECT   16   15   17   18   19                                       
CONECT   17   16   46   47   48                                       
CONECT   18   16   49   50   51                                       
CONECT   19   16   52   53   54                                       
CONECT   20   15   21   21   55                                       
CONECT   21   13   20   20   22                                       
CONECT   22   21   23   67                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   56                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   31   57                                       
CONECT   28   26   29   29   58                                       
CONECT   29   28   28   30   59                                       
CONECT   30   29   31   31   60                                       
CONECT   31   27   30   30   32                                       
CONECT   32    3   31   68                                            
CONECT   33    2   34   34   61                                       
CONECT   34   33   33   35   36                                       
CONECT   35   34   62   63                                            
CONECT   36   34   37   37   64                                       
CONECT   37    1   36   36   65                                       
CONECT   38    4    5    5   66                                       
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   22                                                      
CONECT   68   32                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
