COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.311  -1.143  -0.389  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.960   0.905   0.738  1.00  0.00           N  
HETATM    3  C   UNL     1       2.782   1.592  -2.136  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.323  -0.985  -0.726  1.00  0.00           C  
HETATM    5  C   UNL     1       4.123  -0.193   0.679  1.00  0.00           C  
HETATM    6  C   UNL     1       5.579  -2.007   0.111  1.00  0.00           C  
HETATM    7  C   UNL     1       3.912  -2.289   1.817  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.245  -1.709   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1       0.284   2.405  -0.160  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.053   2.270   0.203  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.616   1.024   0.373  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.830  -0.131   0.176  1.00  0.00           C  
HETATM   13  C   UNL     1       0.531   0.007  -0.194  1.00  0.00           C  
HETATM   14  C   UNL     1       1.077   1.298  -0.359  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.372  -1.415   0.340  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.584  -2.509   0.148  1.00  0.00           C  
HETATM   17  C   UNL     1       0.753  -2.373  -0.221  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.339   0.926   2.153  1.00  0.00           C  
HETATM   19  C   UNL     1       5.164  -0.702  -0.074  1.00  0.00           C  
HETATM   20  C   UNL     1       4.950  -2.806   1.055  1.00  0.00           C  
HETATM   21  C   UNL     1       3.498  -0.986   1.624  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.404  -3.062  -0.225  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.636  -3.694  -1.195  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.710  -2.963  -1.929  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.561  -1.610  -1.696  1.00  0.00           C  
HETATM   26  C   UNL     1       2.683   3.042  -2.537  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.507   2.353   2.608  1.00  0.00           C  
HETATM   28  C   UNL     1       6.434  -4.552   0.423  1.00  0.00           C  
HETATM   29  N   UNL     1       2.418   1.451  -0.724  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.793  -5.061  -1.431  1.00  0.00           N  
HETATM   31  N   UNL     1       2.856   3.398  -3.826  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.738   2.623   3.907  1.00  0.00           N  
HETATM   33  O   UNL     1      -5.340   1.190   0.152  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.580   1.293  -1.619  1.00  0.00           O  
HETATM   35  O   UNL     1       2.960   1.868   1.647  1.00  0.00           O  
HETATM   36  O   UNL     1       4.702   2.166  -0.120  1.00  0.00           O  
HETATM   37  O   UNL     1       5.360  -4.088   1.243  1.00  0.00           O  
HETATM   38  O   UNL     1       2.448   3.888  -1.701  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.434   3.258   1.803  1.00  0.00           O  
HETATM   40  S   UNL     1       3.596   1.472   0.440  1.00  0.00           S  
HETATM   41  S   UNL     1      -4.124   0.740  -0.428  1.00  0.00           S  
HETATM   42  H   UNL     1       2.349  -1.053  -0.675  1.00  0.00           H  
HETATM   43  H   UNL     1       2.102   0.999  -2.748  1.00  0.00           H  
HETATM   44  H   UNL     1       3.803   1.243  -2.285  1.00  0.00           H  
HETATM   45  H   UNL     1       6.392  -2.404  -0.478  1.00  0.00           H  
HETATM   46  H   UNL     1       3.421  -2.909   2.553  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.842  -1.217   0.760  1.00  0.00           H  
HETATM   48  H   UNL     1       0.705   3.392  -0.287  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.657   3.153   0.354  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.408  -1.535   0.622  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.003  -3.496   0.275  1.00  0.00           H  
HETATM   52  H   UNL     1       1.354  -3.257  -0.376  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.278   0.389   2.286  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.559   0.445   2.745  1.00  0.00           H  
HETATM   55  H   UNL     1       5.653  -0.080  -0.809  1.00  0.00           H  
HETATM   56  H   UNL     1       2.685  -0.585   2.212  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.124  -3.627   0.348  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.112  -3.451  -2.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.842  -1.041  -2.267  1.00  0.00           H  
HETATM   60  H   UNL     1       7.316  -3.935   0.594  1.00  0.00           H  
HETATM   61  H   UNL     1       6.661  -5.588   0.675  1.00  0.00           H  
HETATM   62  H   UNL     1       6.144  -4.489  -0.626  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.440  -5.571  -0.917  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.257  -5.502  -2.108  1.00  0.00           H  
HETATM   65  H   UNL     1       3.044   2.721  -4.495  1.00  0.00           H  
HETATM   66  H   UNL     1       2.793   4.330  -4.084  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.796   1.900   4.550  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.846   3.542   4.200  1.00  0.00           H  
CONECT    1   13   13   17   42                                       
CONECT    2   41   11   18                                            
CONECT    3   29   26   43   44                                       
CONECT    4    8    8   25   41                                       
CONECT    5   21   21   19   40                                       
CONECT    6   20   19   19   45                                       
CONECT    7   20   20   21   46                                       
CONECT    8   22    4    4   47                                       
CONECT    9   10   14   14   48                                       
CONECT   10   11   11    9   49                                       
CONECT   11    2   10   10   12                                       
CONECT   12   11   15   15   13                                       
CONECT   13   12   14    1    1                                       
CONECT   14    9    9   13   29                                       
CONECT   15   12   12   16   50                                       
CONECT   16   15   17   17   51                                       
CONECT   17   16   16    1   52                                       
CONECT   18    2   27   53   54                                       
CONECT   19    6    6    5   55                                       
CONECT   20   37    7    7    6                                       
CONECT   21    7    5    5   56                                       
CONECT   22   23   23    8   57                                       
CONECT   23   30   22   22   24                                       
CONECT   24   23   25   25   58                                       
CONECT   25   24   24    4   59                                       
CONECT   26    3   31   38   38                                       
CONECT   27   18   32   39   39                                       
CONECT   28   37   60   61   62                                       
CONECT   29   40   14    3                                            
CONECT   30   23   63   64                                            
CONECT   31   26   65   66                                            
CONECT   32   27   67   68                                            
CONECT   33   41   41                                                 
CONECT   34   41   41                                                 
CONECT   35   40   40                                                 
CONECT   36   40   40                                                 
CONECT   37   28   20                                                 
CONECT   38   26   26                                                 
CONECT   39   27   27                                                 
CONECT   40    5   35   35   36                                       
CONECT   40   36   29                                                 
CONECT   41    4   33   33   34                                       
CONECT   41   34    2                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
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
