COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.065   1.839   0.133  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.233   2.456  -0.639  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.476   1.581  -0.469  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.191   0.178  -1.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.023  -0.438  -0.237  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.780   0.437  -0.408  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.659  -0.156   0.334  1.00  0.00           N1+
HETATM    8  C   UNL     1      -3.466   0.686   0.169  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.329   0.132   1.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.393  -1.505  -0.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.301  -2.167   0.668  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.126  -1.283   0.688  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.898  -1.756   0.396  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.750  -2.926   0.112  1.00  0.00           O  
HETATM   15  C   UNL     1       0.292  -0.831   0.422  1.00  0.00           C  
HETATM   16  S   UNL     1       1.785  -1.757  -0.011  1.00  0.00           S  
HETATM   17  C   UNL     1       2.984  -0.470   0.095  1.00  0.00           C  
HETATM   18  C   UNL     1       4.404  -0.735  -0.185  1.00  0.00           C  
HETATM   19  C   UNL     1       4.843  -2.011  -0.543  1.00  0.00           C  
HETATM   20  C   UNL     1       6.180  -2.224  -0.799  1.00  0.00           C  
HETATM   21  C   UNL     1       7.088  -1.179  -0.703  1.00  0.00           C  
HETATM   22  C   UNL     1       6.669   0.086  -0.351  1.00  0.00           C  
HETATM   23  C   UNL     1       5.324   0.323  -0.088  1.00  0.00           C  
HETATM   24  N   UNL     1       4.882   1.582   0.265  1.00  0.00           N  
HETATM   25  C   UNL     1       5.848   2.680   0.364  1.00  0.00           C  
HETATM   26  C   UNL     1       5.969   3.376  -0.993  1.00  0.00           C  
HETATM   27  C   UNL     1       3.586   1.823   0.520  1.00  0.00           C  
HETATM   28  O   UNL     1       3.242   2.952   0.828  1.00  0.00           O  
HETATM   29  C   UNL     1       2.616   0.816   0.438  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.179   2.463   0.012  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.322   1.775   1.191  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.436   3.455  -0.254  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.976   2.520  -1.697  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.733   1.517   0.588  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.308   2.020  -1.019  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.076  -0.445  -0.888  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.933   0.242  -2.067  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.280  -0.502   0.820  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.820  -1.438  -0.623  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.523   0.501  -1.465  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.897  -0.211   1.313  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.162   0.683  -0.877  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.695   1.705   0.479  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.414   0.692   0.838  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.593   0.220   2.088  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.305  -2.100  -0.126  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.061  -1.441  -1.215  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.666  -2.315   1.685  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.030  -3.128   0.230  1.00  0.00           H  
HETATM   50  H   UNL     1       0.142  -0.026  -0.297  1.00  0.00           H  
HETATM   51  H   UNL     1       0.402  -0.410   1.422  1.00  0.00           H  
HETATM   52  H   UNL     1       4.139  -2.827  -0.618  1.00  0.00           H  
HETATM   53  H   UNL     1       6.523  -3.210  -1.076  1.00  0.00           H  
HETATM   54  H   UNL     1       8.133  -1.359  -0.907  1.00  0.00           H  
HETATM   55  H   UNL     1       7.384   0.892  -0.279  1.00  0.00           H  
HETATM   56  H   UNL     1       5.509   3.396   1.111  1.00  0.00           H  
HETATM   57  H   UNL     1       6.820   2.283   0.656  1.00  0.00           H  
HETATM   58  H   UNL     1       6.308   2.659  -1.741  1.00  0.00           H  
HETATM   59  H   UNL     1       4.997   3.773  -1.286  1.00  0.00           H  
HETATM   60  H   UNL     1       6.688   4.193  -0.920  1.00  0.00           H  
HETATM   61  H   UNL     1       1.581   1.044   0.646  1.00  0.00           H  
CONECT    1    6    2   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5    3   36   37                                       
CONECT    5    6    4   38   39                                       
CONECT    6    7    5    1   40                                       
CONECT    7   10    6    8   41                                       
CONECT    8    7    9   42   43                                       
CONECT    9   12    8   44   45                                       
CONECT   10   11    7   46   47                                       
CONECT   11   10   12   48   49                                       
CONECT   12   11   13    9                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   50   51                                       
CONECT   16   15   17                                                 
CONECT   17   16   29   29   18                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19   21   21   53                                       
CONECT   21   20   20   22   54                                       
CONECT   22   23   23   21   55                                       
CONECT   23   18   24   22   22                                       
CONECT   24   27   23   25                                            
CONECT   25   24   26   56   57                                       
CONECT   26   25   58   59   60                                       
CONECT   27   29   28   28   24                                       
CONECT   28   27   27                                                 
CONECT   29   17   17   27   61                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
