COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.045  -0.204  -0.477  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.229  -0.815  -0.112  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.392  -0.073  -0.020  1.00  0.00           C  
HETATM    4  S   UNL     1      -7.901  -0.856   0.445  1.00  0.00           S  
HETATM    5  O   UNL     1      -8.949  -0.044  -0.067  1.00  0.00           O  
HETATM    6  O   UNL     1      -7.755  -2.232   0.123  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.374   1.283  -0.292  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.194   1.900  -0.658  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.023   1.158  -0.746  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.825   1.780  -1.116  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.660   1.376  -0.572  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.638   0.415   0.169  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.386   2.118  -0.883  1.00  0.00           C  
HETATM   14  N   UNL     1       0.734   1.486  -0.173  1.00  0.00           N  
HETATM   15  C   UNL     1       0.987   0.132  -0.687  1.00  0.00           C  
HETATM   16  C   UNL     1       2.105  -0.520   0.130  1.00  0.00           C  
HETATM   17  C   UNL     1       1.946   2.313  -0.259  1.00  0.00           C  
HETATM   18  C   UNL     1       3.064   1.661   0.558  1.00  0.00           C  
HETATM   19  N   UNL     1       3.317   0.307   0.044  1.00  0.00           N  
HETATM   20  C   UNL     1       4.437  -0.324   0.754  1.00  0.00           C  
HETATM   21  C   UNL     1       4.740  -1.661   0.126  1.00  0.00           C  
HETATM   22  C   UNL     1       4.769  -1.787  -1.250  1.00  0.00           C  
HETATM   23  C   UNL     1       5.047  -3.013  -1.826  1.00  0.00           C  
HETATM   24  C   UNL     1       5.296  -4.112  -1.025  1.00  0.00           C  
HETATM   25  C   UNL     1       5.267  -3.985   0.351  1.00  0.00           C  
HETATM   26  C   UNL     1       4.994  -2.759   0.927  1.00  0.00           C  
HETATM   27  C   UNL     1       5.653   0.561   0.663  1.00  0.00           C  
HETATM   28  C   UNL     1       6.441   0.770   1.779  1.00  0.00           C  
HETATM   29  C   UNL     1       7.557   1.583   1.695  1.00  0.00           C  
HETATM   30  C   UNL     1       7.884   2.186   0.495  1.00  0.00           C  
HETATM   31  C   UNL     1       7.096   1.976  -0.622  1.00  0.00           C  
HETATM   32  C   UNL     1       5.984   1.159  -0.539  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.008  -0.771   2.096  1.00  0.00           N  
HETATM   34  H   UNL     1      -3.137  -0.784  -0.548  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.247  -1.873   0.102  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.284   1.860  -0.220  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.180   2.958  -0.872  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.833   2.501  -1.764  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.200   2.086  -1.957  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.481   3.155  -0.561  1.00  0.00           H  
HETATM   41  H   UNL     1       0.079  -0.465  -0.601  1.00  0.00           H  
HETATM   42  H   UNL     1       1.287   0.190  -1.733  1.00  0.00           H  
HETATM   43  H   UNL     1       1.794  -0.603   1.171  1.00  0.00           H  
HETATM   44  H   UNL     1       2.314  -1.513  -0.268  1.00  0.00           H  
HETATM   45  H   UNL     1       2.257   2.396  -1.300  1.00  0.00           H  
HETATM   46  H   UNL     1       1.737   3.306   0.139  1.00  0.00           H  
HETATM   47  H   UNL     1       3.972   2.258   0.472  1.00  0.00           H  
HETATM   48  H   UNL     1       2.764   1.603   1.604  1.00  0.00           H  
HETATM   49  H   UNL     1       4.170  -0.467   1.801  1.00  0.00           H  
HETATM   50  H   UNL     1       4.574  -0.928  -1.875  1.00  0.00           H  
HETATM   51  H   UNL     1       5.069  -3.112  -2.901  1.00  0.00           H  
HETATM   52  H   UNL     1       5.513  -5.069  -1.475  1.00  0.00           H  
HETATM   53  H   UNL     1       5.462  -4.844   0.976  1.00  0.00           H  
HETATM   54  H   UNL     1       4.976  -2.659   2.002  1.00  0.00           H  
HETATM   55  H   UNL     1       6.186   0.299   2.716  1.00  0.00           H  
HETATM   56  H   UNL     1       8.172   1.747   2.567  1.00  0.00           H  
HETATM   57  H   UNL     1       8.755   2.821   0.429  1.00  0.00           H  
HETATM   58  H   UNL     1       7.351   2.447  -1.559  1.00  0.00           H  
HETATM   59  H   UNL     1       5.368   0.995  -1.411  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.877  -0.729   2.524  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.201  -0.764   2.635  1.00  0.00           H  
CONECT    1    9    2    2   34                                       
CONECT    2    1    1    3   35                                       
CONECT    3    7    7    2    4                                       
CONECT    4    3   33    6    6                                       
CONECT    4    5    5                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    8    3    3   36                                       
CONECT    8    9    9    7   37                                       
CONECT    9   10    8    8    1                                       
CONECT   10   11    9   38                                            
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   39   40                                       
CONECT   14   15   13   17                                            
CONECT   15   16   14   41   42                                       
CONECT   16   15   19   43   44                                       
CONECT   17   14   18   45   46                                       
CONECT   18   19   17   47   48                                       
CONECT   19   16   20   18                                            
CONECT   20   27   19   21   49                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22   24   51                                       
CONECT   24   25   25   23   52                                       
CONECT   25   26   24   24   53                                       
CONECT   26   21   21   25   54                                       
CONECT   27   28   28   32   20                                       
CONECT   28   29   27   27   55                                       
CONECT   29   30   30   28   56                                       
CONECT   30   29   29   31   57                                       
CONECT   31   30   32   32   58                                       
CONECT   32   31   31   27   59                                       
CONECT   33    4   60   61                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
