COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.297  -1.685  -0.725  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.457  -1.033   0.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.406  -0.332   1.038  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.182  -0.274   0.378  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.006  -0.926  -0.846  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.097  -1.638  -1.389  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.766  -0.771  -1.350  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.923  -0.069  -0.671  1.00  0.00           C  
HETATM    9  S   UNL     1      -6.670   0.523   0.806  1.00  0.00           S  
HETATM   10  N   UNL     1      -4.621   0.181  -1.050  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.790   0.959  -0.233  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.561   1.194  -0.591  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.031   0.630  -1.884  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.693   2.008   0.263  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.048   2.582   1.464  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.919   3.266   1.934  1.00  0.00           C  
HETATM   17  C   UNL     1       0.071   3.086   1.015  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.405   2.321   0.013  1.00  0.00           O  
HETATM   19  C   UNL     1       1.439   3.633   1.104  1.00  0.00           C  
HETATM   20  C   UNL     1       1.813   4.411   2.202  1.00  0.00           C  
HETATM   21  C   UNL     1       3.093   4.919   2.279  1.00  0.00           C  
HETATM   22  C   UNL     1       4.005   4.661   1.271  1.00  0.00           C  
HETATM   23  C   UNL     1       3.642   3.891   0.180  1.00  0.00           C  
HETATM   24  C   UNL     1       2.367   3.371   0.093  1.00  0.00           C  
HETATM   25  S   UNL     1       4.812   3.568  -1.097  1.00  0.00           S  
HETATM   26  O   UNL     1       4.059   3.273  -2.266  1.00  0.00           O  
HETATM   27  O   UNL     1       5.772   4.613  -1.035  1.00  0.00           O  
HETATM   28  N   UNL     1       5.609   2.175  -0.691  1.00  0.00           N  
HETATM   29  C   UNL     1       4.940   1.007  -0.634  1.00  0.00           C  
HETATM   30  O   UNL     1       3.753   0.976  -0.881  1.00  0.00           O  
HETATM   31  C   UNL     1       5.666  -0.261  -0.264  1.00  0.00           C  
HETATM   32  C   UNL     1       4.682  -1.433  -0.273  1.00  0.00           C  
HETATM   33  C   UNL     1       5.419  -2.720   0.102  1.00  0.00           C  
HETATM   34  C   UNL     1       4.436  -3.892   0.093  1.00  0.00           C  
HETATM   35  C   UNL     1       5.173  -5.179   0.469  1.00  0.00           C  
HETATM   36  C   UNL     1       4.205  -6.334   0.459  1.00  0.00           C  
HETATM   37  C   UNL     1       4.006  -7.060  -0.700  1.00  0.00           C  
HETATM   38  C   UNL     1       3.117  -8.119  -0.709  1.00  0.00           C  
HETATM   39  C   UNL     1       2.428  -8.452   0.442  1.00  0.00           C  
HETATM   40  C   UNL     1       2.627  -7.727   1.602  1.00  0.00           C  
HETATM   41  C   UNL     1       3.519  -6.670   1.612  1.00  0.00           C  
HETATM   42  H   UNL     1     -11.122  -2.237  -1.150  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.406  -1.076   1.003  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.987  -2.150  -2.334  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.533   0.174   1.984  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.280  -0.183  -1.883  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.210   1.341  -2.691  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.960   0.449  -1.790  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.540  -0.308  -2.107  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.010   2.517   1.949  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.846   3.830   2.853  1.00  0.00           H  
HETATM   52  H   UNL     1       1.102   4.614   2.989  1.00  0.00           H  
HETATM   53  H   UNL     1       2.086   2.766  -0.756  1.00  0.00           H  
HETATM   54  H   UNL     1       3.384   5.521   3.128  1.00  0.00           H  
HETATM   55  H   UNL     1       5.006   5.062   1.336  1.00  0.00           H  
HETATM   56  H   UNL     1       6.559   2.200  -0.493  1.00  0.00           H  
HETATM   57  H   UNL     1       6.461  -0.448  -0.985  1.00  0.00           H  
HETATM   58  H   UNL     1       6.096  -0.156   0.732  1.00  0.00           H  
HETATM   59  H   UNL     1       3.887  -1.246   0.448  1.00  0.00           H  
HETATM   60  H   UNL     1       4.252  -1.538  -1.269  1.00  0.00           H  
HETATM   61  H   UNL     1       6.214  -2.907  -0.619  1.00  0.00           H  
HETATM   62  H   UNL     1       5.850  -2.615   1.098  1.00  0.00           H  
HETATM   63  H   UNL     1       3.641  -3.705   0.814  1.00  0.00           H  
HETATM   64  H   UNL     1       4.006  -3.997  -0.903  1.00  0.00           H  
HETATM   65  H   UNL     1       5.968  -5.366  -0.253  1.00  0.00           H  
HETATM   66  H   UNL     1       5.603  -5.074   1.464  1.00  0.00           H  
HETATM   67  H   UNL     1       4.544  -6.800  -1.599  1.00  0.00           H  
HETATM   68  H   UNL     1       3.678  -6.106   2.519  1.00  0.00           H  
HETATM   69  H   UNL     1       2.961  -8.686  -1.615  1.00  0.00           H  
HETATM   70  H   UNL     1       1.733  -9.279   0.436  1.00  0.00           H  
HETATM   71  H   UNL     1       2.089  -7.986   2.501  1.00  0.00           H  
CONECT    1    2    6    6   42                                       
CONECT    2    1    3    3   43                                       
CONECT    3    2    2    4   45                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   44                                       
CONECT    7    5    8    8                                            
CONECT    8    7    7    9   10                                       
CONECT    9    4    8                                                 
CONECT   10    8   11   46                                            
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   14                                       
CONECT   13   12   47   48   49                                       
CONECT   14   12   15   15   18                                       
CONECT   15   14   14   16   50                                       
CONECT   16   15   17   17   51                                       
CONECT   17   16   16   18   19                                       
CONECT   18   14   17                                                 
CONECT   19   17   20   24   24                                       
CONECT   20   19   21   21   52                                       
CONECT   21   20   20   22   54                                       
CONECT   22   21   23   23   55                                       
CONECT   23   22   22   24   25                                       
CONECT   24   19   19   23   53                                       
CONECT   25   23   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   56                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   57   58                                       
CONECT   32   31   33   59   60                                       
CONECT   33   32   34   61   62                                       
CONECT   34   33   35   63   64                                       
CONECT   35   34   36   65   66                                       
CONECT   36   35   37   41   41                                       
CONECT   37   36   38   38   67                                       
CONECT   38   37   37   39   69                                       
CONECT   39   38   40   40   70                                       
CONECT   40   39   39   41   71                                       
CONECT   41   36   36   40   68                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    6                                                      
CONECT   45    3                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   24                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   28                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   41                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
