COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.765   1.979   3.681  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.395   1.465   2.773  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.887   0.395   2.134  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.651   1.998   2.409  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.200   3.194   3.144  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.364   1.439   1.401  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.834   0.315   0.719  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.547  -0.294  -0.336  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.868   0.237  -0.747  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.861   0.478   0.202  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.035   0.950  -0.163  1.00  0.00           N  
HETATM   12  C   UNL     1      -7.319   1.212  -1.425  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.137   0.510  -2.092  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.388   1.000  -2.424  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.729   1.304  -3.860  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.585  -0.200   1.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.062  -1.312   0.435  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.775  -1.899  -0.598  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.004  -1.394  -0.986  1.00  0.00           C  
HETATM   20  N   UNL     1       0.179  -1.832   0.811  1.00  0.00           N  
HETATM   21  C   UNL     1       0.728  -2.997   0.112  1.00  0.00           C  
HETATM   22  C   UNL     1       2.254  -2.995   0.234  1.00  0.00           C  
HETATM   23  C   UNL     1       2.816  -4.246  -0.445  1.00  0.00           C  
HETATM   24  N   UNL     1       2.257  -5.444   0.193  1.00  0.00           N  
HETATM   25  C   UNL     1       0.797  -5.492   0.047  1.00  0.00           C  
HETATM   26  C   UNL     1       0.174  -4.278   0.741  1.00  0.00           C  
HETATM   27  O   UNL     1       2.782  -1.829  -0.401  1.00  0.00           O  
HETATM   28  C   UNL     1       3.999  -1.353   0.177  1.00  0.00           C  
HETATM   29  C   UNL     1       4.470  -0.109  -0.578  1.00  0.00           C  
HETATM   30  C   UNL     1       5.831   0.322  -0.038  1.00  0.00           C  
HETATM   31  C   UNL     1       6.435   1.400  -0.941  1.00  0.00           C  
HETATM   32  S   UNL     1       5.373   2.873  -0.894  1.00  0.00           S  
HETATM   33  O   UNL     1       5.784   3.763  -1.923  1.00  0.00           O  
HETATM   34  O   UNL     1       5.306   3.343   0.445  1.00  0.00           O  
HETATM   35  C   UNL     1       3.762   2.166  -1.346  1.00  0.00           C  
HETATM   36  C   UNL     1       3.444   1.006  -0.400  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.024   0.040   2.400  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.494   3.502   3.915  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.354   4.013   2.442  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.151   2.930   3.608  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.325   1.845   1.121  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.546  -1.863  -1.793  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.666   0.276   1.245  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.389   0.339  -2.852  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.295   1.597  -1.681  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.464   2.337  -4.086  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.173   0.635  -4.516  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.798   1.161  -4.018  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.364  -2.757  -1.110  1.00  0.00           H  
HETATM   50  H   UNL     1       0.678  -1.421   1.534  1.00  0.00           H  
HETATM   51  H   UNL     1       0.446  -2.956  -0.941  1.00  0.00           H  
HETATM   52  H   UNL     1       2.535  -2.996   1.287  1.00  0.00           H  
HETATM   53  H   UNL     1       0.422  -4.299   1.803  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.909  -4.305   0.619  1.00  0.00           H  
HETATM   55  H   UNL     1       2.547  -4.238  -1.502  1.00  0.00           H  
HETATM   56  H   UNL     1       3.902  -4.255  -0.348  1.00  0.00           H  
HETATM   57  H   UNL     1       2.685  -6.282  -0.173  1.00  0.00           H  
HETATM   58  H   UNL     1       0.537  -5.478  -1.011  1.00  0.00           H  
HETATM   59  H   UNL     1       0.416  -6.406   0.503  1.00  0.00           H  
HETATM   60  H   UNL     1       3.830  -1.101   1.224  1.00  0.00           H  
HETATM   61  H   UNL     1       4.761  -2.129   0.110  1.00  0.00           H  
HETATM   62  H   UNL     1       4.563  -0.345  -1.638  1.00  0.00           H  
HETATM   63  H   UNL     1       5.711   0.720   0.970  1.00  0.00           H  
HETATM   64  H   UNL     1       6.498  -0.540  -0.008  1.00  0.00           H  
HETATM   65  H   UNL     1       2.449   0.620  -0.622  1.00  0.00           H  
HETATM   66  H   UNL     1       3.471   1.362   0.630  1.00  0.00           H  
HETATM   67  H   UNL     1       7.432   1.658  -0.585  1.00  0.00           H  
HETATM   68  H   UNL     1       6.496   1.027  -1.964  1.00  0.00           H  
HETATM   69  H   UNL     1       2.990   2.931  -1.258  1.00  0.00           H  
HETATM   70  H   UNL     1       3.799   1.800  -2.372  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   16   37                                            
CONECT    4    2    5    6    6                                       
CONECT    5    4   38   39   40                                       
CONECT    6    4    4    7   41                                       
CONECT    7    6    8    8   16                                       
CONECT    8    7    7    9   19                                       
CONECT    9    8   10   13   13                                       
CONECT   10    9   11   11   43                                       
CONECT   11   10   10   12                                            
CONECT   12   11   14   14   45                                       
CONECT   13    9    9   14   44                                       
CONECT   14   12   12   13   15                                       
CONECT   15   14   46   47   48                                       
CONECT   16    3    7   17   17                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   19   49                                       
CONECT   19    8   18   18   42                                       
CONECT   20   17   21   50                                            
CONECT   21   20   22   26   51                                       
CONECT   22   21   23   27   52                                       
CONECT   23   22   24   55   56                                       
CONECT   24   23   25   57                                            
CONECT   25   24   26   58   59                                       
CONECT   26   21   25   53   54                                       
CONECT   27   22   28                                                 
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   36   62                                       
CONECT   30   29   31   63   64                                       
CONECT   31   30   32   67   68                                       
CONECT   32   31   33   33   34                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36   69   70                                       
CONECT   36   29   35   65   66                                       
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   19                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
