COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.604  -1.094   0.327  1.00  0.00           O  
HETATM    2  C   UNL     1       3.223  -0.195  -0.393  1.00  0.00           C  
HETATM    3  C   UNL     1       4.208   0.542  -1.263  1.00  0.00           C  
HETATM    4  C   UNL     1       5.609  -0.035  -1.049  1.00  0.00           C  
HETATM    5  C   UNL     1       6.595   0.702  -1.919  1.00  0.00           C  
HETATM    6  O   UNL     1       6.215   1.597  -2.636  1.00  0.00           O  
HETATM    7  C   UNL     1       8.053   0.323  -1.894  1.00  0.00           C  
HETATM    8  C   UNL     1       8.829   1.219  -2.861  1.00  0.00           C  
HETATM    9  N   UNL     1       1.918   0.140  -0.419  1.00  0.00           N  
HETATM   10  C   UNL     1       0.959  -0.581   0.422  1.00  0.00           C  
HETATM   11  C   UNL     1       0.940   0.041   1.820  1.00  0.00           C  
HETATM   12  C   UNL     1       2.280  -0.163   2.478  1.00  0.00           C  
HETATM   13  C   UNL     1       3.276   0.783   2.325  1.00  0.00           C  
HETATM   14  C   UNL     1       4.505   0.596   2.929  1.00  0.00           C  
HETATM   15  C   UNL     1       4.738  -0.536   3.688  1.00  0.00           C  
HETATM   16  C   UNL     1       3.741  -1.481   3.842  1.00  0.00           C  
HETATM   17  C   UNL     1       2.511  -1.292   3.241  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.436  -0.485  -0.199  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.871   0.877  -0.186  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.413  -1.340   0.610  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.717  -1.356  -0.058  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.860  -1.992  -1.370  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.649  -3.501  -1.231  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.777  -4.097  -0.386  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.654  -4.147  -2.618  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.320  -5.634  -2.489  1.00  0.00           C  
HETATM   27  S   UNL     1      -4.029  -0.655   0.669  1.00  0.00           S  
HETATM   28  O   UNL     1      -5.178  -1.279   0.113  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.753  -0.637   2.063  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.076   1.028   0.150  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.778   1.380  -0.989  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.816   2.698  -1.398  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.417   1.996   0.884  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.453   3.317   0.479  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.151   3.671  -0.666  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.187   4.969  -1.067  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.479   5.916  -0.264  1.00  0.00           C  
HETATM   38  H   UNL     1       3.925   0.429  -2.309  1.00  0.00           H  
HETATM   39  H   UNL     1       4.207   1.599  -0.998  1.00  0.00           H  
HETATM   40  H   UNL     1       5.893   0.078  -0.003  1.00  0.00           H  
HETATM   41  H   UNL     1       5.611  -1.092  -1.314  1.00  0.00           H  
HETATM   42  H   UNL     1       8.444   0.452  -0.885  1.00  0.00           H  
HETATM   43  H   UNL     1       8.163  -0.718  -2.196  1.00  0.00           H  
HETATM   44  H   UNL     1       9.884   0.945  -2.843  1.00  0.00           H  
HETATM   45  H   UNL     1       8.438   1.091  -3.870  1.00  0.00           H  
HETATM   46  H   UNL     1       8.720   2.261  -2.558  1.00  0.00           H  
HETATM   47  H   UNL     1       1.614   0.859  -0.995  1.00  0.00           H  
HETATM   48  H   UNL     1       1.254  -1.628   0.493  1.00  0.00           H  
HETATM   49  H   UNL     1       0.732   1.108   1.740  1.00  0.00           H  
HETATM   50  H   UNL     1       0.164  -0.437   2.419  1.00  0.00           H  
HETATM   51  H   UNL     1       3.095   1.667   1.732  1.00  0.00           H  
HETATM   52  H   UNL     1       5.284   1.335   2.808  1.00  0.00           H  
HETATM   53  H   UNL     1       5.699  -0.682   4.159  1.00  0.00           H  
HETATM   54  H   UNL     1       3.923  -2.365   4.435  1.00  0.00           H  
HETATM   55  H   UNL     1       1.731  -2.029   3.365  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.402  -0.846  -1.227  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.924   1.264   0.698  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.031  -2.358   0.684  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.523  -0.919   1.610  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.859  -1.799  -1.760  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.117  -1.583  -2.055  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.692  -3.691  -0.745  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.626  -5.173  -0.287  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.773  -3.637   0.602  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.734  -3.908  -0.871  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.641  -4.034  -3.067  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.910  -3.660  -3.248  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.334  -5.747  -2.039  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.065  -6.121  -1.859  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.324  -6.094  -3.477  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.296   0.622  -1.559  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.364   2.972  -2.288  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.873   1.720   1.776  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.937   4.072   1.054  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.589   6.911  -0.695  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.885   5.910   0.747  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.423   5.648  -0.234  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4   38   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   42   43                                       
CONECT    8    7   44   45   46                                       
CONECT    9    2   10   47                                            
CONECT   10    9   11   18   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   51                                       
CONECT   14   13   15   15   52                                       
CONECT   15   14   14   16   53                                       
CONECT   16   15   17   17   54                                       
CONECT   17   12   16   16   55                                       
CONECT   18   10   20   19   56                                       
CONECT   19   18   57                                                 
CONECT   20   18   21   58   59                                       
CONECT   21   20   27   22                                            
CONECT   22   21   23   60   61                                       
CONECT   23   22   24   25   62                                       
CONECT   24   23   63   64   65                                       
CONECT   25   23   26   66   67                                       
CONECT   26   25   68   69   70                                       
CONECT   27   21   29   29   28                                       
CONECT   27   28   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   31   33                                       
CONECT   31   30   30   32   71                                       
CONECT   32   31   35   35   72                                       
CONECT   33   30   34   34   73                                       
CONECT   34   33   33   35   74                                       
CONECT   35   32   32   34   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   75   76   77                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
