COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.304  -1.812  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       6.103  -0.326  -0.303  1.00  0.00           C  
HETATM    3  C   UNL     1       4.637   0.048  -0.070  1.00  0.00           C  
HETATM    4  C   UNL     1       4.265  -0.233   1.387  1.00  0.00           C  
HETATM    5  C   UNL     1       4.467  -1.719   1.688  1.00  0.00           C  
HETATM    6  C   UNL     1       5.932  -2.093   1.455  1.00  0.00           C  
HETATM    7  S   UNL     1       4.398   1.810  -0.427  1.00  0.00           S  
HETATM    8  O   UNL     1       5.023   2.632   0.550  1.00  0.00           O  
HETATM    9  O   UNL     1       4.500   2.082  -1.818  1.00  0.00           O  
HETATM   10  N   UNL     1       2.787   2.041  -0.124  1.00  0.00           N  
HETATM   11  C   UNL     1       1.782   1.381  -0.961  1.00  0.00           C  
HETATM   12  C   UNL     1       0.440   1.441  -0.278  1.00  0.00           C  
HETATM   13  O   UNL     1       0.334   1.983   0.802  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.640   0.889  -0.864  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.943   0.942  -0.197  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.815  -0.215  -0.688  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.192  -1.543  -0.254  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.027  -2.651  -0.724  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.661  -3.965  -0.448  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.442  -5.034  -0.887  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.044  -6.320  -0.592  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.940  -6.546   0.096  1.00  0.00           N1+
HETATM   23  C   UNL     1      -1.174  -5.563   0.528  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.499  -4.248   0.270  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.618   2.251  -0.517  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.292   2.876  -1.504  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.584   2.727   0.293  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.273   3.986  -0.022  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.784   3.734  -0.027  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.197   3.109   1.308  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.484   1.766   1.486  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.974   1.993   1.505  1.00  0.00           C  
HETATM   33  H   UNL     1       5.669  -2.405  -0.660  1.00  0.00           H  
HETATM   34  H   UNL     1       7.348  -2.078  -0.168  1.00  0.00           H  
HETATM   35  H   UNL     1       6.368  -0.126  -1.341  1.00  0.00           H  
HETATM   36  H   UNL     1       6.738   0.268   0.355  1.00  0.00           H  
HETATM   37  H   UNL     1       4.002  -0.545  -0.728  1.00  0.00           H  
HETATM   38  H   UNL     1       4.900   0.361   2.045  1.00  0.00           H  
HETATM   39  H   UNL     1       3.221   0.033   1.553  1.00  0.00           H  
HETATM   40  H   UNL     1       3.831  -2.312   1.030  1.00  0.00           H  
HETATM   41  H   UNL     1       4.201  -1.919   2.726  1.00  0.00           H  
HETATM   42  H   UNL     1       6.075  -3.152   1.669  1.00  0.00           H  
HETATM   43  H   UNL     1       6.567  -1.499   2.113  1.00  0.00           H  
HETATM   44  H   UNL     1       2.508   2.614   0.608  1.00  0.00           H  
HETATM   45  H   UNL     1       2.065   0.340  -1.115  1.00  0.00           H  
HETATM   46  H   UNL     1       1.722   1.887  -1.924  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.555   0.456  -1.728  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.803   0.860   0.881  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.814  -0.125  -0.260  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.882  -0.184  -1.776  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.194  -1.634  -0.682  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.125  -1.575   0.834  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.836  -2.469  -1.228  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.347  -4.856  -1.449  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.643  -7.154  -0.928  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.684  -7.462   0.288  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.279  -5.791   1.088  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.867  -3.447   0.627  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.029   4.734   0.733  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.958   4.339  -1.004  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.309   4.679  -0.164  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.037   3.055  -0.841  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.921   3.778   2.123  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.275   2.951   1.316  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.797   1.311   2.426  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.740   1.106   0.658  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.460   1.032   1.533  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.703   2.579   2.383  1.00  0.00           H  
CONECT    1    2    6   33   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3    2    4    7   37                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    1    5   42   43                                       
CONECT    7    3    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   44                                            
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   47                                            
CONECT   15   14   16   25   48                                       
CONECT   16   15   17   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   53                                            
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   54                                       
CONECT   21   20   22   22   55                                       
CONECT   22   21   21   23   56                                       
CONECT   23   22   24   24   57                                       
CONECT   24   19   23   23   58                                       
CONECT   25   15   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   32                                            
CONECT   28   27   29   59   60                                       
CONECT   29   28   30   61   62                                       
CONECT   30   29   31   63   64                                       
CONECT   31   30   32   65   66                                       
CONECT   32   27   31   67   68                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
