COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.439  -1.201  -0.249  1.00  0.00           C  
HETATM    2  C   UNL     1       5.382   2.823   0.384  1.00  0.00           C  
HETATM    3  N   UNL     1       3.085  -3.557  -0.298  1.00  0.00           N  
HETATM    4  O   UNL     1      -2.908  -0.748   0.869  1.00  0.00           O  
HETATM    5  O   UNL     1       7.667   1.788   0.421  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.824  -1.339  -0.935  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.380   0.774  -2.096  1.00  0.00           O  
HETATM    8  C   UNL     1       3.494  -2.503  -0.184  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.733  -0.266   0.728  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.792  -1.127   1.263  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.330   0.917   0.139  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.450  -0.803   1.210  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.988   1.244   0.091  1.00  0.00           C  
HETATM   14  C   UNL     1       5.386  -0.950  -0.006  1.00  0.00           C  
HETATM   15  C   UNL     1       9.582   0.037   0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.320   0.053  -1.190  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.333  -0.259   1.286  1.00  0.00           C  
HETATM   18  C   UNL     1       1.163   0.420  -1.100  1.00  0.00           C  
HETATM   19  C   UNL     1       1.151   0.117   1.304  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.583   0.734   0.564  1.00  0.00           C  
HETATM   21  N   UNL     1       3.612   1.154   0.201  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.272   0.535  -0.903  1.00  0.00           N  
HETATM   23  O   UNL     1       8.177  -0.324  -0.037  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.467   0.035   0.055  1.00  0.00           C  
HETATM   25  C   UNL     1       7.283   0.660   0.184  1.00  0.00           C  
HETATM   26  C   UNL     1       4.903   1.403   0.232  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.047   0.381   0.621  1.00  0.00           C  
HETATM   28  C   UNL     1       4.010  -1.176  -0.040  1.00  0.00           C  
HETATM   29  C   UNL     1       5.838   0.367   0.136  1.00  0.00           C  
HETATM   30  C   UNL     1       3.137  -0.076   0.068  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.019   0.448   0.114  1.00  0.00           C  
HETATM   32  N   UNL     1       1.774  -0.282   0.036  1.00  0.00           N  
HETATM   33  S   UNL     1      -4.863   0.081  -0.968  1.00  0.00           S  
HETATM   34  H   UNL     1      10.207  -1.591  -1.240  1.00  0.00           H  
HETATM   35  H   UNL     1      11.493  -0.930  -0.202  1.00  0.00           H  
HETATM   36  H   UNL     1      10.226  -1.964   0.500  1.00  0.00           H  
HETATM   37  H   UNL     1       5.607   3.020   1.433  1.00  0.00           H  
HETATM   38  H   UNL     1       6.281   2.970  -0.214  1.00  0.00           H  
HETATM   39  H   UNL     1       4.604   3.507   0.046  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.781  -0.521   0.766  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.107  -2.052   1.724  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.064   1.587  -0.284  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.715  -1.475   1.628  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.673   2.169  -0.369  1.00  0.00           H  
HETATM   45  H   UNL     1       6.085  -1.770  -0.082  1.00  0.00           H  
HETATM   46  H   UNL     1       9.814   0.426   1.017  1.00  0.00           H  
HETATM   47  H   UNL     1       9.795   0.799  -0.724  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.777   0.586  -2.024  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.421  -1.021  -1.346  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.433  -1.338   1.169  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.798   0.051   2.221  1.00  0.00           H  
HETATM   52  H   UNL     1       1.666   0.126  -2.022  1.00  0.00           H  
HETATM   53  H   UNL     1       1.263   1.496  -0.959  1.00  0.00           H  
HETATM   54  H   UNL     1       1.251   1.195   1.434  1.00  0.00           H  
HETATM   55  H   UNL     1       1.645  -0.396   2.129  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.470   1.818   0.585  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.070   0.298   1.421  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.919   1.161  -1.555  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.953   1.528   0.249  1.00  0.00           H  
CONECT    1   15   34   35   36                                       
CONECT    2   26   37   38   39                                       
CONECT    3    8    8    8                                            
CONECT    4   24   24                                                 
CONECT    5   25   25                                                 
CONECT    6   33   33                                                 
CONECT    7   33   33                                                 
CONECT    8    3    3    3   28                                       
CONECT    9   10   10   11   40                                       
CONECT   10    9    9   12   41                                       
CONECT   11    9   13   13   42                                       
CONECT   12   10   27   27   43                                       
CONECT   13   11   11   27   44                                       
CONECT   14   28   29   29   45                                       
CONECT   15   23    1   46   47                                       
CONECT   16   31   18   48   49                                       
CONECT   17   31   19   50   51                                       
CONECT   18   16   32   52   53                                       
CONECT   19   17   32   54   55                                       
CONECT   20   27   33   56   57                                       
CONECT   21   30   26   26                                            
CONECT   22   33   24   58                                            
CONECT   23   25   15                                                 
CONECT   24   22    4    4   31                                       
CONECT   25   29   23    5    5                                       
CONECT   26   21   21   29    2                                       
CONECT   27   12   12   13   20                                       
CONECT   28    8   30   30   14                                       
CONECT   29   14   14   26   25                                       
CONECT   30   32   28   28   21                                       
CONECT   31   24   17   16   59                                       
CONECT   32   19   18   30                                            
CONECT   33   20    6    6    7                                       
CONECT   33    7   22                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
