COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.591  -1.003  -0.217  1.00  0.00           N  
HETATM    2  C   UNL     1       4.130  -2.268  -0.014  1.00  0.00           C  
HETATM    3  C   UNL     1       4.121  -4.453   0.426  1.00  0.00           C  
HETATM    4  C   UNL     1       5.440  -4.332   0.273  1.00  0.00           C  
HETATM    5  C   UNL     1       2.312   3.403  -0.973  1.00  0.00           C  
HETATM    6  C   UNL     1       2.304   5.773  -0.183  1.00  0.00           C  
HETATM    7  C   UNL     1       2.259   3.905   1.475  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.644   0.041   1.196  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.506   0.393   0.147  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.976   0.794  -1.045  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.602  -1.446   0.611  1.00  0.00           C  
HETATM   12  O   UNL     1       1.534  -1.746   0.154  1.00  0.00           O  
HETATM   13  C   UNL     1       2.260  -0.813  -0.115  1.00  0.00           C  
HETATM   14  N   UNL     1       3.444  -3.331   0.266  1.00  0.00           N  
HETATM   15  S   UNL     1       5.794  -2.648  -0.106  1.00  0.00           S  
HETATM   16  C   UNL     1       1.676   0.558  -0.334  1.00  0.00           C  
HETATM   17  C   UNL     1       2.267   1.534   0.685  1.00  0.00           C  
HETATM   18  C   UNL     1       1.770   2.949   0.384  1.00  0.00           C  
HETATM   19  C   UNL     1       1.814   4.818  -1.273  1.00  0.00           C  
HETATM   20  C   UNL     1       1.762   5.320   1.174  1.00  0.00           C  
HETATM   21  N   UNL     1       0.221   0.501  -0.168  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.304   0.102   1.018  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.580   0.845  -1.194  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.093   1.202  -2.255  1.00  0.00           O  
HETATM   25  S   UNL     1      -4.252   0.317   0.365  1.00  0.00           S  
HETATM   26  O   UNL     1      -4.488   1.044   1.564  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.780   0.762  -0.877  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.121  -1.676   0.692  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.487  -2.621  -0.471  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.165  -3.366  -0.785  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.097  -2.260  -0.598  1.00  0.00           C  
HETATM   32  H   UNL     1       4.172  -0.255  -0.428  1.00  0.00           H  
HETATM   33  H   UNL     1       3.644  -5.393   0.664  1.00  0.00           H  
HETATM   34  H   UNL     1       6.165  -5.128   0.364  1.00  0.00           H  
HETATM   35  H   UNL     1       3.401   3.399  -0.948  1.00  0.00           H  
HETATM   36  H   UNL     1       1.963   2.723  -1.749  1.00  0.00           H  
HETATM   37  H   UNL     1       3.394   5.769  -0.159  1.00  0.00           H  
HETATM   38  H   UNL     1       1.949   6.782  -0.397  1.00  0.00           H  
HETATM   39  H   UNL     1       1.873   3.581   2.441  1.00  0.00           H  
HETATM   40  H   UNL     1       3.349   3.900   1.499  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.050  -0.274   2.146  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.624   1.068  -1.864  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.122  -1.798   1.524  1.00  0.00           H  
HETATM   44  H   UNL     1       1.913   0.897  -1.342  1.00  0.00           H  
HETATM   45  H   UNL     1       1.955   1.245   1.689  1.00  0.00           H  
HETATM   46  H   UNL     1       3.355   1.510   0.622  1.00  0.00           H  
HETATM   47  H   UNL     1       0.680   2.954   0.360  1.00  0.00           H  
HETATM   48  H   UNL     1       2.200   5.142  -2.240  1.00  0.00           H  
HETATM   49  H   UNL     1       0.724   4.823  -1.297  1.00  0.00           H  
HETATM   50  H   UNL     1       2.111   6.000   1.951  1.00  0.00           H  
HETATM   51  H   UNL     1       0.672   5.324   1.150  1.00  0.00           H  
HETATM   52  H   UNL     1       0.355  -0.170   1.830  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.378  -2.139   1.645  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.648  -0.728   0.584  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.258  -3.326  -0.161  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.820  -2.049  -1.337  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.004  -4.181  -0.079  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.164  -3.735  -1.810  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.042  -1.629  -1.486  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.124  -2.701  -0.382  1.00  0.00           H  
CONECT    1   13    2   32                                            
CONECT    2    1   15   14   14                                       
CONECT    3   14    4    4   33                                       
CONECT    4   15    3    3   34                                       
CONECT    5   19   18   35   36                                       
CONECT    6   20   19   37   38                                       
CONECT    7   20   18   39   40                                       
CONECT    8    9   22   22   41                                       
CONECT    9   25    8   10   10                                       
CONECT   10    9    9   23   42                                       
CONECT   11   31   25   28   43                                       
CONECT   12   13   13                                                 
CONECT   13   16   12   12    1                                       
CONECT   14    2    2    3                                            
CONECT   15    2    4                                                 
CONECT   16   17   21   13   44                                       
CONECT   17   18   16   45   46                                       
CONECT   18    7    5   17   47                                       
CONECT   19    6    5   48   49                                       
CONECT   20    6    7   50   51                                       
CONECT   21   22   23   16                                            
CONECT   22    8    8   21   52                                       
CONECT   23   10   21   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   27   27    9   26                                       
CONECT   25   26   11                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   11   53   54                                       
CONECT   29   30   28   55   56                                       
CONECT   30   31   29   57   58                                       
CONECT   31   30   11   59   60                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
