COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.518  -4.365  -1.374  1.00  0.00           C  
HETATM    2  C   UNL     1       2.919   2.189   0.484  1.00  0.00           C  
HETATM    3  C   UNL     1       0.683   2.211   1.482  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.575   1.748   0.740  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.079   2.882  -0.156  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.336   2.442  -0.862  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.642   1.656  -0.833  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.713   1.306   0.202  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.008   3.231  -1.191  1.00  0.00           C  
HETATM   10  C   UNL     1       1.256   3.711  -0.471  1.00  0.00           C  
HETATM   11  C   UNL     1       5.740   1.267   0.928  1.00  0.00           C  
HETATM   12  C   UNL     1       8.331  -2.451  -0.612  1.00  0.00           C  
HETATM   13  C   UNL     1       6.944   0.766   0.538  1.00  0.00           C  
HETATM   14  C   UNL     1       7.045  -0.584   0.158  1.00  0.00           C  
HETATM   15  C   UNL     1       8.270  -1.135  -0.250  1.00  0.00           C  
HETATM   16  C   UNL     1       7.189  -3.257  -0.582  1.00  0.00           C  
HETATM   17  C   UNL     1       5.988  -2.753  -0.192  1.00  0.00           C  
HETATM   18  C   UNL     1       5.888  -1.403   0.188  1.00  0.00           C  
HETATM   19  C   UNL     1       4.663  -0.849   0.596  1.00  0.00           C  
HETATM   20  C   UNL     1       4.604   0.461   0.962  1.00  0.00           C  
HETATM   21  C   UNL     1       3.288   1.050   1.400  1.00  0.00           C  
HETATM   22  C   UNL     1       3.413   1.569   2.834  1.00  0.00           C  
HETATM   23  N   UNL     1       1.666   2.685   0.498  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.420   2.083  -0.147  1.00  0.00           N  
HETATM   25  O   UNL     1       9.517  -2.984  -1.007  1.00  0.00           O  
HETATM   26  O   UNL     1       3.749   2.659  -0.265  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.371   2.411  -2.074  1.00  0.00           O  
HETATM   28  S   UNL     1      -7.226   0.777  -0.647  1.00  0.00           S  
HETATM   29  H   UNL     1       8.835  -4.519  -2.209  1.00  0.00           H  
HETATM   30  H   UNL     1      10.525  -4.662  -1.668  1.00  0.00           H  
HETATM   31  H   UNL     1       9.195  -4.967  -0.524  1.00  0.00           H  
HETATM   32  H   UNL     1       0.428   3.022   2.164  1.00  0.00           H  
HETATM   33  H   UNL     1       1.104   1.379   2.047  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.336   0.879   0.127  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.347   1.484   1.462  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.294   3.759   0.455  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.428   0.779  -1.444  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.002   2.464  -1.470  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.353   0.499   0.840  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.927   2.183   0.813  1.00  0.00           H  
HETATM   41  H   UNL     1       0.225   2.348  -1.786  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.377   4.023  -1.844  1.00  0.00           H  
HETATM   43  H   UNL     1       2.054   3.866  -1.197  1.00  0.00           H  
HETATM   44  H   UNL     1       1.047   4.644   0.051  1.00  0.00           H  
HETATM   45  H   UNL     1       5.665   2.304   1.219  1.00  0.00           H  
HETATM   46  H   UNL     1       7.816   1.402   0.520  1.00  0.00           H  
HETATM   47  H   UNL     1       9.159  -0.523  -0.277  1.00  0.00           H  
HETATM   48  H   UNL     1       7.261  -4.294  -0.874  1.00  0.00           H  
HETATM   49  H   UNL     1       5.113  -3.387  -0.174  1.00  0.00           H  
HETATM   50  H   UNL     1       3.773  -1.461   0.624  1.00  0.00           H  
HETATM   51  H   UNL     1       2.514   0.284   1.357  1.00  0.00           H  
HETATM   52  H   UNL     1       4.099   2.415   2.855  1.00  0.00           H  
HETATM   53  H   UNL     1       2.434   1.885   3.193  1.00  0.00           H  
HETATM   54  H   UNL     1       3.796   0.775   3.475  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.392   2.108   0.823  1.00  0.00           H  
HETATM   56  S   UNL     1      -6.698  -1.039  -1.439  1.00  0.00           S  
HETATM   57  C   UNL     1      -6.998  -2.185  -0.067  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.505  -2.313   0.171  1.00  0.00           C  
HETATM   59  N   UNL     1      -8.748  -3.242   1.283  1.00  0.00           N  
HETATM   60  C   UNL     1     -10.157  -3.211   1.696  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.333  -4.606   0.930  1.00  0.00           C  
HETATM   62  H   UNL     1      -6.585  -3.164  -0.313  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.519  -1.806   0.836  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.918  -1.335   0.418  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.984  -2.693  -0.731  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.788  -3.499   0.856  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.309  -3.908   2.521  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.419  -2.203   2.019  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.268  -4.613   0.695  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.524  -5.273   1.771  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.898  -4.945   0.062  1.00  0.00           H  
CONECT    1   25   29   30   31                                       
CONECT    2   23   26   26   21                                       
CONECT    3    4   23   32   33                                       
CONECT    4    5    3   34   35                                       
CONECT    5    6    9    4   36                                       
CONECT    6   24   27   27    5                                       
CONECT    7    8   24   37   38                                       
CONECT    8    7   28   39   40                                       
CONECT    9    5   10   41   42                                       
CONECT   10    9   23   43   44                                       
CONECT   11   13   13   20   45                                       
CONECT   12   25   16   16   15                                       
CONECT   13   14   11   11   46                                       
CONECT   14   15   15   18   13                                       
CONECT   15   12   14   14   47                                       
CONECT   16   12   12   17   48                                       
CONECT   17   16   18   18   49                                       
CONECT   18   17   17   14   19                                       
CONECT   19   18   20   20   50                                       
CONECT   20   19   19   11   21                                       
CONECT   21    2   20   22   51                                       
CONECT   22   21   52   53   54                                       
CONECT   23   10    3    2                                            
CONECT   24    7    6   55                                            
CONECT   25    1   12                                                 
CONECT   26    2    2                                                 
CONECT   27    6    6                                                 
CONECT   28    8   56                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   28   57                                                 
CONECT   57   56   58   62   63                                       
CONECT   58   57   59   64   65                                       
CONECT   59   58   60   61                                            
CONECT   60   59   66   67   68                                       
CONECT   61   59   69   70   71                                       
CONECT   62   57                                                      
CONECT   63   57                                                      
CONECT   64   58                                                      
CONECT   65   58                                                      
CONECT   66   60                                                      
CONECT   67   60                                                      
CONECT   68   60                                                      
CONECT   69   61                                                      
CONECT   70   61                                                      
CONECT   71   61                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
