COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.362   0.788   0.408  1.00  0.00           C  
HETATM    2  C   UNL     1       1.995   0.583   0.855  1.00  0.00           C  
HETATM    3  C   UNL     1       4.838   1.369  -0.450  1.00  0.00           C  
HETATM    4  C   UNL     1       4.476   3.650  -1.082  1.00  0.00           C  
HETATM    5  C   UNL     1       5.723   3.987  -0.579  1.00  0.00           C  
HETATM    6  C   UNL     1       6.529   3.008  -0.015  1.00  0.00           C  
HETATM    7  C   UNL     1       4.353  -0.056  -0.374  1.00  0.00           C  
HETATM    8  C   UNL     1       3.167   0.388   1.782  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.291  -0.315  -0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.689   0.723   1.120  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.074   1.204   1.247  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.129   1.878   0.408  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.704   1.203  -0.652  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.671   1.822  -1.422  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.062   3.116  -1.133  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.486   3.791  -0.072  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.524   3.170   0.701  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.278  -0.207  -0.968  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.061  -1.172  -0.116  1.00  0.00           C  
HETATM   20  C   UNL     1       4.036   2.342  -1.017  1.00  0.00           C  
HETATM   21  C   UNL     1       3.617  -2.515  -0.030  1.00  0.00           C  
HETATM   22  C   UNL     1       3.185  -3.959  -0.037  1.00  0.00           C  
HETATM   23  C   UNL     1       2.130  -4.169  -1.126  1.00  0.00           C  
HETATM   24  C   UNL     1       0.749  -4.297  -0.480  1.00  0.00           C  
HETATM   25  C   UNL     1       6.082   1.703   0.053  1.00  0.00           C  
HETATM   26  C   UNL     1       4.226  -0.474   1.092  1.00  0.00           C  
HETATM   27  N   UNL     1       0.734   0.582   1.380  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.785   1.266   0.554  1.00  0.00           N  
HETATM   29  N   UNL     1       3.808  -1.892   1.170  1.00  0.00           N  
HETATM   30  N   UNL     1       2.614  -4.306   1.271  1.00  0.00           N  
HETATM   31  O   UNL     1       2.168   0.738  -0.335  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.770   0.183   2.203  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.848  -2.493  -0.227  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.882  -0.757   0.668  1.00  0.00           O  
HETATM   35  O   UNL     1       3.793  -1.918  -1.071  1.00  0.00           O  
HETATM   36  O   UNL     1       6.159   5.273  -0.643  1.00  0.00           O  
HETATM   37  S   UNL     1      -0.435  -3.252  -1.372  1.00  0.00           S  
HETATM   38  S   UNL     1      -0.965  -1.854   0.031  1.00  0.00           S  
HETATM   39  H   UNL     1      -0.251   1.761  -0.070  1.00  0.00           H  
HETATM   40  H   UNL     1       3.847   4.410  -1.522  1.00  0.00           H  
HETATM   41  H   UNL     1       7.501   3.268   0.378  1.00  0.00           H  
HETATM   42  H   UNL     1       3.380  -0.135  -0.860  1.00  0.00           H  
HETATM   43  H   UNL     1       5.065  -0.709  -0.878  1.00  0.00           H  
HETATM   44  H   UNL     1       3.596   1.357   2.035  1.00  0.00           H  
HETATM   45  H   UNL     1       2.831  -0.109   2.693  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.873  -0.019  -1.523  1.00  0.00           H  
HETATM   47  H   UNL     1       0.747  -0.471  -0.943  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.995   1.712   2.208  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.350   0.162   1.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.121   1.294  -2.251  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.817   3.599  -1.735  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.792   4.802   0.154  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.074   3.697   1.529  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.467  -0.417  -2.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.214  -0.320  -0.760  1.00  0.00           H  
HETATM   56  H   UNL     1       3.064   2.079  -1.409  1.00  0.00           H  
HETATM   57  H   UNL     1       4.046  -4.595  -0.238  1.00  0.00           H  
HETATM   58  H   UNL     1       2.136  -3.318  -1.807  1.00  0.00           H  
HETATM   59  H   UNL     1       2.357  -5.080  -1.681  1.00  0.00           H  
HETATM   60  H   UNL     1       0.422  -5.336  -0.524  1.00  0.00           H  
HETATM   61  H   UNL     1       0.804  -3.977   0.561  1.00  0.00           H  
HETATM   62  H   UNL     1       6.705   0.942   0.499  1.00  0.00           H  
HETATM   63  H   UNL     1       5.185  -0.348   1.595  1.00  0.00           H  
HETATM   64  H   UNL     1       0.569   0.456   2.328  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.720   1.698  -0.312  1.00  0.00           H  
HETATM   66  H   UNL     1       3.677  -2.347   2.016  1.00  0.00           H  
HETATM   67  H   UNL     1       2.218  -5.234   1.258  1.00  0.00           H  
HETATM   68  H   UNL     1       3.304  -4.218   2.002  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.374  -3.072   0.341  1.00  0.00           H  
HETATM   70  H   UNL     1       5.922   5.807   0.128  1.00  0.00           H  
CONECT    1   10    9   27   39                                       
CONECT    2   31   31   27    8                                       
CONECT    3   20   20   25    7                                       
CONECT    4    5    5   20   40                                       
CONECT    5   36    4    4    6                                       
CONECT    6    5   25   25   41                                       
CONECT    7   26    3   42   43                                       
CONECT    8    2   26   44   45                                       
CONECT    9   38    1   46   47                                       
CONECT   10   28   32   32    1                                       
CONECT   11   12   28   48   49                                       
CONECT   12   13   13   17   11                                       
CONECT   13   14   18   12   12                                       
CONECT   14   15   15   13   50                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   12   53                                       
CONECT   18   19   13   54   55                                       
CONECT   19   34   34   33   18                                       
CONECT   20    4    3    3   56                                       
CONECT   21   29   22   35   35                                       
CONECT   22   23   30   21   57                                       
CONECT   23   24   22   58   59                                       
CONECT   24   37   23   60   61                                       
CONECT   25    6    6    3   62                                       
CONECT   26    8   29    7   63                                       
CONECT   27    1    2   64                                            
CONECT   28   11   10   65                                            
CONECT   29   26   21   66                                            
CONECT   30   22   67   68                                            
CONECT   31    2    2                                                 
CONECT   32   10   10                                                 
CONECT   33   19   69                                                 
CONECT   34   19   19                                                 
CONECT   35   21   21                                                 
CONECT   36    5   70                                                 
CONECT   37   38   24                                                 
CONECT   38    9   37                                                 
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
