COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.542  -1.913  -0.731  1.00  0.00           N  
HETATM    2  N   UNL     1       6.824  -2.160  -1.653  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.692  -0.914  -0.238  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.837  -0.611   0.852  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.265   0.302   1.830  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.265  -1.827  -1.216  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.038  -2.407  -1.106  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.578  -1.230   0.932  1.00  0.00           C  
HETATM    9  C   UNL     1       1.015  -0.630   0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.128   2.600  -2.369  1.00  0.00           C  
HETATM   11  C   UNL     1       0.368   4.402  -0.712  1.00  0.00           C  
HETATM   12  C   UNL     1       4.466  -1.452  -0.252  1.00  0.00           C  
HETATM   13  C   UNL     1       5.700  -1.543   0.390  1.00  0.00           C  
HETATM   14  C   UNL     1       5.790  -1.282   1.757  1.00  0.00           C  
HETATM   15  C   UNL     1       3.438  -0.839   1.830  1.00  0.00           C  
HETATM   16  C   UNL     1       1.309   5.557  -0.365  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.491   0.882   1.719  1.00  0.00           C  
HETATM   18  O   UNL     1       2.135  -1.001  -0.154  1.00  0.00           O  
HETATM   19  S   UNL     1      -1.619  -2.884   0.069  1.00  0.00           S  
HETATM   20  C   UNL     1      -7.332   0.585   0.649  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.236   1.687  -1.223  1.00  0.00           N  
HETATM   22  O   UNL     1       0.373  -0.066  -2.440  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.953  -0.298  -0.315  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.711  -4.086  -0.683  1.00  0.00           O  
HETATM   25  N   UNL     1       8.129  -2.006   0.261  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.246  -2.852   1.440  1.00  0.00           O  
HETATM   27  N   UNL     1       1.676   7.412   1.191  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.198  -2.110  -0.035  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.243  -0.574  -0.219  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.013   0.366  -1.374  1.00  0.00           C  
HETATM   31  C   UNL     1       3.339  -1.097   0.469  1.00  0.00           C  
HETATM   32  C   UNL     1       0.836   3.734  -2.007  1.00  0.00           C  
HETATM   33  C   UNL     1       0.377   3.378   0.425  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.593   2.240   0.090  1.00  0.00           C  
HETATM   35  C   UNL     1       4.660  -0.935   2.469  1.00  0.00           C  
HETATM   36  C   UNL     1       6.911  -1.917  -0.377  1.00  0.00           C  
HETATM   37  C   UNL     1       0.772   6.303   0.858  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.107  -2.233  -1.537  1.00  0.00           H  
HETATM   39  H   UNL     1       7.617  -2.405  -2.155  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.624   0.542   2.666  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.906  -2.068  -2.052  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.712  -3.109  -1.860  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.916  -1.009   1.755  1.00  0.00           H  
HETATM   44  H   UNL     1       0.876  -1.366   1.443  1.00  0.00           H  
HETATM   45  H   UNL     1       1.194   0.350   1.094  1.00  0.00           H  
HETATM   46  H   UNL     1       0.254   2.057  -3.234  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.109   3.015  -2.600  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.643   4.786  -0.847  1.00  0.00           H  
HETATM   49  H   UNL     1       4.390  -1.653  -1.311  1.00  0.00           H  
HETATM   50  H   UNL     1       6.744  -1.352   2.258  1.00  0.00           H  
HETATM   51  H   UNL     1       2.557  -0.562   2.391  1.00  0.00           H  
HETATM   52  H   UNL     1       2.302   5.164  -0.144  1.00  0.00           H  
HETATM   53  H   UNL     1       1.371   6.242  -1.211  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.818   1.584   2.473  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.300   1.060   0.585  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.615  -0.519  -1.140  1.00  0.00           H  
HETATM   57  H   UNL     1       8.922  -2.251  -0.242  1.00  0.00           H  
HETATM   58  H   UNL     1       8.194  -1.825   1.211  1.00  0.00           H  
HETATM   59  H   UNL     1       1.343   7.921   1.996  1.00  0.00           H  
HETATM   60  H   UNL     1       2.618   7.080   1.337  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.082  -0.217   0.378  1.00  0.00           H  
HETATM   62  H   UNL     1       1.838   3.328  -1.865  1.00  0.00           H  
HETATM   63  H   UNL     1       0.852   4.469  -2.811  1.00  0.00           H  
HETATM   64  H   UNL     1       1.383   2.976   0.544  1.00  0.00           H  
HETATM   65  H   UNL     1       0.066   3.861   1.352  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.612   2.626   0.060  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.517   1.461   0.848  1.00  0.00           H  
HETATM   68  H   UNL     1       4.731  -0.733   3.527  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.220   6.697   0.636  1.00  0.00           H  
HETATM   70  H   UNL     1       0.711   5.618   1.703  1.00  0.00           H  
CONECT    1   29   19   38                                            
CONECT    2   36   36   39                                            
CONECT    3    6   23   23    4                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4   17   40                                       
CONECT    6    7    7    3   41                                       
CONECT    7    6    6   28   42                                       
CONECT    8   28   28    4   43                                       
CONECT    9   18   29   44   45                                       
CONECT   10   32   21   46   47                                       
CONECT   11   16   32   33   48                                       
CONECT   12   31   31   13   49                                       
CONECT   13   14   14   12   36                                       
CONECT   14   35   13   13   50                                       
CONECT   15   35   35   31   51                                       
CONECT   16   37   11   52   53                                       
CONECT   17   20   20    5   54                                       
CONECT   18   31    9                                                 
CONECT   19    1   28   26   26                                       
CONECT   19   24   24                                                 
CONECT   20   23   17   17   55                                       
CONECT   21   10   34   30                                            
CONECT   22   30   30                                                 
CONECT   23    3    3   20   56                                       
CONECT   24   19   19                                                 
CONECT   25   36   57   58                                            
CONECT   26   19   19                                                 
CONECT   27   37   59   60                                            
CONECT   28    7   19    8    8                                       
CONECT   29   30    9    1   61                                       
CONECT   30   21   22   22   29                                       
CONECT   31   15   18   12   12                                       
CONECT   32   11   10   62   63                                       
CONECT   33   11   34   64   65                                       
CONECT   34   33   21   66   67                                       
CONECT   35   15   15   14   68                                       
CONECT   36   13    2    2   25                                       
CONECT   37   27   16   69   70                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
