COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.079   4.502  -0.782  1.00  0.00           S  
HETATM    2  N   UNL     1      -5.560  -5.312  -0.336  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.436  -4.324  -0.302  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.073  -3.059  -0.255  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.787  -2.724  -0.241  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.816  -3.738  -0.276  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.252  -5.073  -0.326  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.342  -6.115  -0.362  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.604  -3.132  -0.251  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.766  -1.842  -0.204  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.095  -1.539  -0.196  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.679  -0.196  -0.148  1.00  0.00           C  
HETATM   13  N   UNL     1       8.509  -2.001  -0.509  1.00  0.00           N  
HETATM   14  S   UNL     1       7.021   0.351   1.316  1.00  0.00           S  
HETATM   15  C   UNL     1      -5.015   0.201   1.312  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.313  -0.269   1.682  1.00  0.00           O  
HETATM   17  C   UNL     1       5.689  -0.912   1.215  1.00  0.00           C  
HETATM   18  N   UNL     1       6.295  -2.042  -0.880  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.986   1.747   1.243  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.309   2.266   1.096  1.00  0.00           O  
HETATM   21  C   UNL     1       7.522  -1.979  -1.414  1.00  0.00           C  
HETATM   22  O   UNL     1       7.721  -1.908  -2.612  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.145   2.053  -0.012  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.708   0.794  -0.551  1.00  0.00           O  
HETATM   25  C   UNL     1       6.412  -2.118   0.585  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.932   2.904   0.370  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.204   3.289  -0.842  1.00  0.00           N  
HETATM   28  C   UNL     1       7.924  -2.090   0.838  1.00  0.00           C  
HETATM   29  C   UNL     1       8.359  -0.863   1.662  1.00  0.00           C  
HETATM   30  C   UNL     1       4.551  -0.430   0.313  1.00  0.00           C  
HETATM   31  C   UNL     1       3.858   0.770   0.963  1.00  0.00           C  
HETATM   32  C   UNL     1       2.721   1.252   0.061  1.00  0.00           C  
HETATM   33  C   UNL     1       2.028   2.452   0.711  1.00  0.00           C  
HETATM   34  C   UNL     1       0.907   2.927  -0.177  1.00  0.00           C  
HETATM   35  N   UNL     1       0.153   3.980   0.195  1.00  0.00           N  
HETATM   36  O   UNL     1       0.685   2.362  -1.227  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.535   4.610  -2.090  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.695   5.588  -0.104  1.00  0.00           O  
HETATM   39  H   UNL     1      -7.489  -4.563  -0.313  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.656  -7.032  -0.395  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.390  -5.928  -0.353  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.966  -1.117  -0.176  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.569  -0.143  -0.775  1.00  0.00           H  
HETATM   44  H   UNL     1       9.458  -1.967  -0.710  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.258  -0.172   2.001  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.569  -0.045   2.587  1.00  0.00           H  
HETATM   47  H   UNL     1       5.316  -1.161   2.209  1.00  0.00           H  
HETATM   48  H   UNL     1       5.463  -2.038  -1.379  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.511   2.160   2.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.899   2.052   1.832  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.752   2.582  -0.746  1.00  0.00           H  
HETATM   52  H   UNL     1       5.980  -3.050   0.950  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.266   3.799   0.893  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.274   2.327   1.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.382   2.833  -1.680  1.00  0.00           H  
HETATM   56  H   UNL     1       8.242  -3.011   1.327  1.00  0.00           H  
HETATM   57  H   UNL     1       9.321  -0.486   1.317  1.00  0.00           H  
HETATM   58  H   UNL     1       8.396  -1.104   2.725  1.00  0.00           H  
HETATM   59  H   UNL     1       4.955  -0.135  -0.655  1.00  0.00           H  
HETATM   60  H   UNL     1       3.829  -1.235   0.176  1.00  0.00           H  
HETATM   61  H   UNL     1       3.454   0.475   1.932  1.00  0.00           H  
HETATM   62  H   UNL     1       4.580   1.575   1.100  1.00  0.00           H  
HETATM   63  H   UNL     1       3.125   1.547  -0.907  1.00  0.00           H  
HETATM   64  H   UNL     1       1.999   0.447  -0.076  1.00  0.00           H  
HETATM   65  H   UNL     1       1.624   2.157   1.680  1.00  0.00           H  
HETATM   66  H   UNL     1       2.749   3.257   0.848  1.00  0.00           H  
HETATM   67  H   UNL     1       0.331   4.432   1.034  1.00  0.00           H  
CONECT    1   27   35   37   37                                       
CONECT    1   38   38                                                 
CONECT    2    7    7    3                                            
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    9                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7   40   41                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   42                                       
CONECT   11    5   10   12                                            
CONECT   12   11   15   24   43                                       
CONECT   13   28   21   44                                            
CONECT   14   29   17                                                 
CONECT   15   12   16   19   45                                       
CONECT   16   15   46                                                 
CONECT   17   14   25   30   47                                       
CONECT   18   21   25   48                                            
CONECT   19   15   20   23   49                                       
CONECT   20   19   50                                                 
CONECT   21   13   18   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   19   24   26   51                                       
CONECT   24   12   23                                                 
CONECT   25   17   18   28   52                                       
CONECT   26   23   27   53   54                                       
CONECT   27    1   26   55                                            
CONECT   28   13   25   29   56                                       
CONECT   29   14   28   57   58                                       
CONECT   30   17   31   59   60                                       
CONECT   31   30   32   61   62                                       
CONECT   32   31   33   63   64                                       
CONECT   33   32   34   65   66                                       
CONECT   34   33   36   36   35                                       
CONECT   35    1   34   67                                            
CONECT   36   34   34                                                 
CONECT   37    1    1                                                 
CONECT   38    1    1                                                 
CONECT   39    3                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
