COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.966  -0.064   0.517  1.00  0.00           S  
HETATM    2  O   UNL     1      -5.869   0.619  -0.341  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.115  -0.103   1.930  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.935  -1.638   0.006  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.540  -2.721   0.920  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.615  -3.812   0.875  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.832  -4.224  -0.518  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.346  -3.112  -1.328  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.307  -1.992  -1.372  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.728  -5.386  -0.590  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.371   0.618   0.205  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.106   1.231  -1.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.855   1.765  -1.250  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.869   1.687  -0.285  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.134   1.075   0.926  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.386   0.544   1.172  1.00  0.00           C  
HETATM   17  C   UNL     1       0.495   2.269  -0.553  1.00  0.00           C  
HETATM   18  C   UNL     1       0.800   3.352   0.484  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.184   4.511   0.313  1.00  0.00           C  
HETATM   20  C   UNL     1       0.030   5.552   1.426  1.00  0.00           C  
HETATM   21  C   UNL     1       0.415   6.872   0.727  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.168   6.730  -0.701  1.00  0.00           C  
HETATM   23  C   UNL     1       0.078   5.236  -1.023  1.00  0.00           C  
HETATM   24  C   UNL     1       1.533   1.179  -0.460  1.00  0.00           C  
HETATM   25  O   UNL     1       1.191   0.032  -0.268  1.00  0.00           O  
HETATM   26  N   UNL     1       2.840   1.481  -0.591  1.00  0.00           N  
HETATM   27  C   UNL     1       3.799   0.497  -0.413  1.00  0.00           C  
HETATM   28  S   UNL     1       3.454  -1.181  -0.016  1.00  0.00           S  
HETATM   29  C   UNL     1       5.178  -1.550  -0.014  1.00  0.00           C  
HETATM   30  N   UNL     1       5.824  -2.691   0.214  1.00  0.00           N  
HETATM   31  C   UNL     1       7.140  -2.768   0.169  1.00  0.00           C  
HETATM   32  C   UNL     1       7.908  -1.645  -0.122  1.00  0.00           C  
HETATM   33  C   UNL     1       7.288  -0.442  -0.365  1.00  0.00           C  
HETATM   34  C   UNL     1       5.877  -0.377  -0.313  1.00  0.00           C  
HETATM   35  N   UNL     1       5.069   0.681  -0.520  1.00  0.00           N  
HETATM   36  O   UNL     1       7.751  -3.956   0.410  1.00  0.00           O  
HETATM   37  C   UNL     1       6.907  -5.072   0.704  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.583  -3.136   0.604  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.456  -2.331   1.935  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.286  -4.671   1.461  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.545  -3.424   1.289  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.548  -3.462  -2.341  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.266  -2.733  -0.884  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.730  -1.121  -1.872  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.425  -2.336  -1.912  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.691  -5.130  -0.147  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.872  -5.670  -1.633  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.287  -6.220  -0.044  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.877   1.292  -1.760  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.648   2.243  -2.196  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.363   1.013   1.680  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.595   0.069   2.120  1.00  0.00           H  
HETATM   53  H   UNL     1       0.515   2.705  -1.551  1.00  0.00           H  
HETATM   54  H   UNL     1       0.700   2.935   1.486  1.00  0.00           H  
HETATM   55  H   UNL     1       1.817   3.716   0.341  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.208   4.139   0.342  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.891   5.685   1.995  1.00  0.00           H  
HETATM   58  H   UNL     1       0.835   5.231   2.088  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.036   7.722   1.241  1.00  0.00           H  
HETATM   60  H   UNL     1       1.499   6.981   0.688  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.235   6.956  -0.706  1.00  0.00           H  
HETATM   62  H   UNL     1       0.367   7.370  -1.402  1.00  0.00           H  
HETATM   63  H   UNL     1       1.108   5.080  -1.346  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.618   4.890  -1.787  1.00  0.00           H  
HETATM   65  H   UNL     1       3.109   2.387  -0.810  1.00  0.00           H  
HETATM   66  H   UNL     1       8.985  -1.718  -0.156  1.00  0.00           H  
HETATM   67  H   UNL     1       7.869   0.440  -0.592  1.00  0.00           H  
HETATM   68  H   UNL     1       6.320  -4.858   1.597  1.00  0.00           H  
HETATM   69  H   UNL     1       6.238  -5.252  -0.137  1.00  0.00           H  
HETATM   70  H   UNL     1       7.521  -5.956   0.875  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4   11                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    9                                            
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    8   10                                            
CONECT    8    7    9   42   43                                       
CONECT    9    4    8   44   45                                       
CONECT   10    7   46   47   48                                       
CONECT   11    1   12   12   16                                       
CONECT   12   11   11   13   49                                       
CONECT   13   12   14   14   50                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   51                                       
CONECT   16   11   15   15   52                                       
CONECT   17   14   18   24   53                                       
CONECT   18   17   19   54   55                                       
CONECT   19   18   20   23   56                                       
CONECT   20   19   21   57   58                                       
CONECT   21   20   22   59   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   19   22   63   64                                       
CONECT   24   17   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   65                                            
CONECT   27   26   28   35   35                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31                                            
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   66                                       
CONECT   33   32   34   34   67                                       
CONECT   34   29   33   33   35                                       
CONECT   35   27   27   34                                            
CONECT   36   31   37                                                 
CONECT   37   36   68   69   70                                       
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
