COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.625  -0.588  -1.691  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.343  -0.090  -1.134  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.877  -0.185  -0.997  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.614  -0.162   1.993  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.290  -0.789   3.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.997  -0.152   2.916  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.985  -0.783   3.643  1.00  0.00           C  
HETATM    8  C   UNL     1       1.009   1.799   0.635  1.00  0.00           C  
HETATM    9  C   UNL     1       0.695   3.024   0.059  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.262   1.156   0.927  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.316   0.477   1.711  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.635   0.468   1.253  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.988   1.146  -0.045  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.517   1.784  -0.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.760   1.108  -0.548  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.094   1.442  -0.527  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.028   0.598  -1.103  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.291  -0.939  -1.708  1.00  0.00           C  
HETATM   19  C   UNL     1       1.664   3.744  -0.614  1.00  0.00           C  
HETATM   20  C   UNL     1       2.949   3.251  -0.718  1.00  0.00           C  
HETATM   21  C   UNL     1       3.274   2.022  -0.144  1.00  0.00           C  
HETATM   22  C   UNL     1       4.652   1.491  -0.254  1.00  0.00           C  
HETATM   23  C   UNL     1       5.002   0.177  -0.501  1.00  0.00           C  
HETATM   24  C   UNL     1       4.085  -0.959  -0.703  1.00  0.00           C  
HETATM   25  C   UNL     1       2.983  -0.851  -1.566  1.00  0.00           C  
HETATM   26  C   UNL     1       2.150  -1.936  -1.727  1.00  0.00           C  
HETATM   27  C   UNL     1       3.405  -3.218  -0.264  1.00  0.00           C  
HETATM   28  C   UNL     1       2.805  -5.488   0.093  1.00  0.00           C  
HETATM   29  C   UNL     1       2.946  -6.774   0.864  1.00  0.00           C  
HETATM   30  C   UNL     1       4.293  -2.177  -0.044  1.00  0.00           C  
HETATM   31  C   UNL     1       6.823   1.409  -0.289  1.00  0.00           C  
HETATM   32  C   UNL     1       8.303   3.675   0.116  1.00  0.00           C  
HETATM   33  C   UNL     1       2.299   1.298   0.540  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.397   0.896  -0.359  1.00  0.00           N  
HETATM   35  N   UNL     1       0.026   1.073   1.316  1.00  0.00           N  
HETATM   36  N   UNL     1       2.374  -3.067  -1.084  1.00  0.00           N  
HETATM   37  N   UNL     1       3.597  -4.437   0.384  1.00  0.00           N  
HETATM   38  N   UNL     1       6.385   0.141  -0.520  1.00  0.00           N  
HETATM   39  N   UNL     1       5.789   2.203  -0.139  1.00  0.00           N  
HETATM   40  O   UNL     1      -1.558   1.788  -0.069  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.200  -1.110  -1.404  1.00  0.00           O  
HETATM   42  O   UNL     1       1.979  -5.398  -0.790  1.00  0.00           O  
HETATM   43  S   UNL     1       8.512   1.907  -0.213  1.00  0.00           S  
HETATM   44  H   UNL     1     -10.359  -1.244  -2.135  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.634  -0.169   1.640  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.060  -1.284   3.757  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.979  -0.148   3.276  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.740  -1.274   4.573  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.309   3.414   0.137  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.821   2.219   0.047  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.362   0.749  -0.844  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.385   2.751  -0.515  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.585   1.915   1.052  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.412   2.367  -0.068  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.075   0.866  -1.094  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.981  -1.867  -2.163  1.00  0.00           H  
HETATM   57  H   UNL     1       1.415   4.696  -1.060  1.00  0.00           H  
HETATM   58  H   UNL     1       3.703   3.817  -1.245  1.00  0.00           H  
HETATM   59  H   UNL     1       2.791   0.070  -2.095  1.00  0.00           H  
HETATM   60  H   UNL     1       1.301  -1.860  -2.390  1.00  0.00           H  
HETATM   61  H   UNL     1       3.733  -6.666   1.611  1.00  0.00           H  
HETATM   62  H   UNL     1       2.003  -7.005   1.361  1.00  0.00           H  
HETATM   63  H   UNL     1       3.203  -7.583   0.180  1.00  0.00           H  
HETATM   64  H   UNL     1       5.131  -2.303   0.624  1.00  0.00           H  
HETATM   65  H   UNL     1       9.282   4.148   0.195  1.00  0.00           H  
HETATM   66  H   UNL     1       7.743   4.132  -0.699  1.00  0.00           H  
HETATM   67  H   UNL     1       7.759   3.809   1.051  1.00  0.00           H  
HETATM   68  H   UNL     1       2.546   0.349   0.991  1.00  0.00           H  
HETATM   69  H   UNL     1       0.271   0.511   2.067  1.00  0.00           H  
HETATM   70  H   UNL     1       4.302  -4.529   1.044  1.00  0.00           H  
HETATM   71  H   UNL     1       6.939  -0.641  -0.669  1.00  0.00           H  
CONECT    1   17   18   18   44                                       
CONECT    2   15   15    3   18                                       
CONECT    3   34    2   41   41                                       
CONECT    4   12   12    5   45                                       
CONECT    5    7    7    4   46                                       
CONECT    6   11   11    7   47                                       
CONECT    7    6    5    5   48                                       
CONECT    8    9   35   33   33                                       
CONECT    9   19   19    8   49                                       
CONECT   10   40   40   11   35                                       
CONECT   11   10    6    6   12                                       
CONECT   12   11   13    4    4                                       
CONECT   13   12   34   50   51                                       
CONECT   14   15   34   52   53                                       
CONECT   15   16   14    2    2                                       
CONECT   16   17   17   15   54                                       
CONECT   17   16   16    1   55                                       
CONECT   18    2    1    1   56                                       
CONECT   19    9    9   20   57                                       
CONECT   20   19   21   21   58                                       
CONECT   21   20   20   33   22                                       
CONECT   22   21   23   23   39                                       
CONECT   23   24   22   22   38                                       
CONECT   24   25   25   30   23                                       
CONECT   25   26   24   24   59                                       
CONECT   26   36   36   25   60                                       
CONECT   27   36   37   30   30                                       
CONECT   28   37   42   42   29                                       
CONECT   29   28   61   62   63                                       
CONECT   30   27   27   24   64                                       
CONECT   31   38   39   39   43                                       
CONECT   32   43   65   66   67                                       
CONECT   33    8    8   21   68                                       
CONECT   34   14   13    3                                            
CONECT   35   10    8   69                                            
CONECT   36   26   26   27                                            
CONECT   37   27   28   70                                            
CONECT   38   23   31   71                                            
CONECT   39   22   31   31                                            
CONECT   40   10   10                                                 
CONECT   41    3    3                                                 
CONECT   42   28   28                                                 
CONECT   43   31   32                                                 
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
