COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.013   0.592   0.643  1.00  0.00           C  
HETATM    2  O   UNL     1       6.509  -0.076   1.520  1.00  0.00           O  
HETATM    3  C   UNL     1       8.208   1.458   0.948  1.00  0.00           C  
HETATM    4  N   UNL     1       6.509   0.556  -0.607  1.00  0.00           N  
HETATM    5  C   UNL     1       5.351  -0.290  -0.904  1.00  0.00           C  
HETATM    6  C   UNL     1       4.183   0.137  -0.053  1.00  0.00           C  
HETATM    7  O   UNL     1       4.373   0.783   0.956  1.00  0.00           O  
HETATM    8  C   UNL     1       5.694  -1.750  -0.602  1.00  0.00           C  
HETATM    9  C   UNL     1       6.796  -2.222  -1.553  1.00  0.00           C  
HETATM   10  C   UNL     1       7.227  -3.639  -1.171  1.00  0.00           C  
HETATM   11  C   UNL     1       6.266  -2.220  -2.989  1.00  0.00           C  
HETATM   12  N   UNL     1       2.928  -0.198  -0.412  1.00  0.00           N  
HETATM   13  C   UNL     1       1.793   0.218   0.416  1.00  0.00           C  
HETATM   14  C   UNL     1       0.641  -0.728   0.200  1.00  0.00           C  
HETATM   15  O   UNL     1       0.756  -1.658  -0.569  1.00  0.00           O  
HETATM   16  C   UNL     1       1.370   1.636   0.026  1.00  0.00           C  
HETATM   17  C   UNL     1       2.496   2.615   0.362  1.00  0.00           C  
HETATM   18  S   UNL     1       1.994   4.296  -0.101  1.00  0.00           S  
HETATM   19  C   UNL     1       3.434   5.295   0.366  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.518  -0.541   0.863  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.674  -1.393   0.572  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.963  -0.609   0.830  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.005  -0.199   2.198  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.638  -2.627   1.476  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.771  -3.577   1.087  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.523  -4.117  -0.323  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.823  -4.742   2.078  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.999   0.625  -0.074  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.318   1.370   0.134  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.285   2.691  -0.639  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.459   0.523  -0.368  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.238  -0.570  -0.845  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.833   0.155  -0.776  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.724   0.979  -0.287  1.00  0.00           N  
HETATM   35  C   UNL     1      -9.153   0.901  -0.568  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.310   0.041  -1.078  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.630   0.786  -0.870  1.00  0.00           C  
HETATM   38  H   UNL     1       9.122   0.886   0.786  1.00  0.00           H  
HETATM   39  H   UNL     1       8.204   2.328   0.291  1.00  0.00           H  
HETATM   40  H   UNL     1       8.163   1.787   1.986  1.00  0.00           H  
HETATM   41  H   UNL     1       6.912   1.090  -1.308  1.00  0.00           H  
HETATM   42  H   UNL     1       5.088  -0.190  -1.957  1.00  0.00           H  
HETATM   43  H   UNL     1       6.042  -1.836   0.427  1.00  0.00           H  
HETATM   44  H   UNL     1       4.807  -2.368  -0.739  1.00  0.00           H  
HETATM   45  H   UNL     1       7.651  -1.550  -1.481  1.00  0.00           H  
HETATM   46  H   UNL     1       6.372  -4.312  -1.243  1.00  0.00           H  
HETATM   47  H   UNL     1       8.012  -3.976  -1.849  1.00  0.00           H  
HETATM   48  H   UNL     1       7.605  -3.641  -0.148  1.00  0.00           H  
HETATM   49  H   UNL     1       7.051  -2.556  -3.666  1.00  0.00           H  
HETATM   50  H   UNL     1       5.411  -2.892  -3.061  1.00  0.00           H  
HETATM   51  H   UNL     1       5.959  -1.211  -3.261  1.00  0.00           H  
HETATM   52  H   UNL     1       2.776  -0.714  -1.219  1.00  0.00           H  
HETATM   53  H   UNL     1       2.085   0.202   1.467  1.00  0.00           H  
HETATM   54  H   UNL     1       1.164   1.672  -1.043  1.00  0.00           H  
HETATM   55  H   UNL     1       0.472   1.911   0.579  1.00  0.00           H  
HETATM   56  H   UNL     1       2.703   2.579   1.431  1.00  0.00           H  
HETATM   57  H   UNL     1       3.394   2.339  -0.191  1.00  0.00           H  
HETATM   58  H   UNL     1       3.617   5.192   1.435  1.00  0.00           H  
HETATM   59  H   UNL     1       4.309   4.952  -0.187  1.00  0.00           H  
HETATM   60  H   UNL     1       3.243   6.342   0.129  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.587   0.158   1.532  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.641  -1.706  -0.471  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.681  -3.135   1.359  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.761  -2.320   2.515  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.720  -3.040   1.108  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.618  -4.725  -0.324  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.371  -4.728  -0.633  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.402  -3.284  -1.015  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.000  -4.357   3.082  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.631  -5.420   1.800  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.875  -5.279   2.056  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.823  -1.243   0.614  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.268   0.369   2.462  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.166   1.283   0.176  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.917   0.315  -1.115  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.457   1.574   1.196  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.187   3.262  -0.421  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.409   3.266  -0.339  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.236   2.484  -1.708  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.694  -0.048  -1.837  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.857  -0.785  -0.225  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.901   1.854   0.094  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.292   1.105   0.494  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.129   1.842  -1.118  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.171  -0.163  -2.139  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.334  -0.900  -0.527  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.455   0.174  -1.234  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.769   0.990   0.191  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.606   1.727  -1.421  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   38   39   40                                       
CONECT    4    1    5   41                                            
CONECT    5    4    6    8   42                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   43   44                                       
CONECT    9    8   10   11   45                                       
CONECT   10    9   46   47   48                                       
CONECT   11    9   49   50   51                                       
CONECT   12    6   13   52                                            
CONECT   13   12   14   16   53                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19                                                 
CONECT   19   18   58   59   60                                       
CONECT   20   14   21   61                                            
CONECT   21   20   22   24   62                                       
CONECT   22   21   23   28   72                                       
CONECT   23   22   73                                                 
CONECT   24   21   25   63   64                                       
CONECT   25   24   26   27   65                                       
CONECT   26   25   66   67   68                                       
CONECT   27   25   69   70   71                                       
CONECT   28   22   29   74   75                                       
CONECT   29   28   30   31   76                                       
CONECT   30   29   77   78   79                                       
CONECT   31   29   32   32   34                                       
CONECT   32   31   31                                                 
CONECT   33   34   35   80   81                                       
CONECT   34   31   33   82                                            
CONECT   35   33   36   83   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   36   87   88   89                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
