COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.092   0.168  10.901  1.00  0.00           C  
HETATM    2  C   UNL     1       0.439   0.623   9.540  1.00  0.00           C  
HETATM    3  C   UNL     1       1.947   0.374   9.473  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.258  -0.165   8.431  1.00  0.00           C  
HETATM    5  C   UNL     1       0.273   0.289   7.070  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.424  -0.499   5.960  1.00  0.00           C  
HETATM    7  C   UNL     1       0.107  -0.044   4.600  1.00  0.00           C  
HETATM    8  C   UNL     1       1.615  -0.294   4.532  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.590  -0.833   3.490  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.111  -0.541   3.499  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.096  -0.371   2.122  1.00  0.00           C  
HETATM   12  C   UNL     1       1.071  -1.131   1.492  1.00  0.00           C  
HETATM   13  C   UNL     1       0.215   1.125   2.156  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.339  -0.566   1.212  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.460   0.004   2.087  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.082   0.167  -0.091  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.308   0.039  -1.002  1.00  0.00           C  
HETATM   18  C   UNL     1       0.118  -0.505  -0.772  1.00  0.00           C  
HETATM   19  C   UNL     1       1.361  -0.518   0.113  1.00  0.00           C  
HETATM   20  C   UNL     1       0.434   0.178  -2.091  1.00  0.00           C  
HETATM   21  C   UNL     1       1.317   1.384  -1.760  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.776   0.673  -2.825  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.572   1.275  -4.205  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.985   0.618  -2.349  1.00  0.00           C  
HETATM   25  C   UNL     1       1.232  -0.759  -3.001  1.00  0.00           C  
HETATM   26  C   UNL     1       1.546  -0.044  -4.316  1.00  0.00           C  
HETATM   27  C   UNL     1       0.244   0.291  -5.046  1.00  0.00           C  
HETATM   28  O   UNL     1       0.546   0.881  -6.311  1.00  0.00           O  
HETATM   29  S   UNL     1       0.286  -0.183  -7.367  1.00  0.00           S  
HETATM   30  O   UNL     1      -1.221  -0.371  -7.462  1.00  0.00           O  
HETATM   31  O   UNL     1       0.682   0.393  -8.604  1.00  0.00           O  
HETATM   32  O   UNL     1       0.792  -1.395  -6.826  1.00  0.00           O  
HETATM   33  H   UNL     1       0.404   0.730  11.692  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.166   0.346  10.949  1.00  0.00           H  
HETATM   35  H   UNL     1       0.106  -0.895  11.032  1.00  0.00           H  
HETATM   36  H   UNL     1       0.240   1.687   9.410  1.00  0.00           H  
HETATM   37  H   UNL     1       2.146  -0.689   9.603  1.00  0.00           H  
HETATM   38  H   UNL     1       2.326   0.698   8.503  1.00  0.00           H  
HETATM   39  H   UNL     1       2.444   0.936  10.263  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.059  -1.229   8.561  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.332   0.012   8.479  1.00  0.00           H  
HETATM   42  H   UNL     1       0.074   1.353   6.939  1.00  0.00           H  
HETATM   43  H   UNL     1       1.347   0.111   7.022  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.225  -1.563   6.091  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.498  -0.322   6.008  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.091   1.019   4.469  1.00  0.00           H  
HETATM   47  H   UNL     1       1.814  -1.357   4.662  1.00  0.00           H  
HETATM   48  H   UNL     1       1.994   0.030   3.563  1.00  0.00           H  
HETATM   49  H   UNL     1       2.112   0.268   5.323  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.409  -1.901   3.615  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.667  -1.459   3.692  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.344   0.205   4.257  1.00  0.00           H  
HETATM   53  H   UNL     1       0.761  -2.169   1.380  1.00  0.00           H  
HETATM   54  H   UNL     1       1.962  -1.074   2.118  1.00  0.00           H  
HETATM   55  H   UNL     1       0.476   1.464   1.153  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.660   1.671   2.508  1.00  0.00           H  
HETATM   57  H   UNL     1       1.052   1.307   2.830  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.509  -1.626   1.023  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.432  -0.365   1.760  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.439   1.094   2.080  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.865   1.217   0.102  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.572  -1.012  -1.112  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.145   0.582  -0.563  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.166  -1.537  -0.980  1.00  0.00           H  
HETATM   65  H   UNL     1       2.140  -1.101  -0.377  1.00  0.00           H  
HETATM   66  H   UNL     1       1.713   0.504   0.245  1.00  0.00           H  
HETATM   67  H   UNL     1       1.479   1.973  -2.663  1.00  0.00           H  
HETATM   68  H   UNL     1       0.824   1.999  -1.008  1.00  0.00           H  
HETATM   69  H   UNL     1       2.276   1.037  -1.376  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.540   1.447  -4.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.034   2.219  -4.117  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.794   1.008  -2.949  1.00  0.00           H  
HETATM   73  H   UNL     1       2.162  -1.040  -2.508  1.00  0.00           H  
HETATM   74  H   UNL     1       0.644  -1.654  -3.205  1.00  0.00           H  
HETATM   75  H   UNL     1       2.157  -0.692  -4.944  1.00  0.00           H  
HETATM   76  H   UNL     1       2.092   0.876  -4.107  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.331  -0.621  -5.199  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.376  -1.048  -8.134  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3    4   36                                       
CONECT    3    2   37   38   39                                       
CONECT    4    2    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5    7   44   45                                       
CONECT    7    6    8    9   46                                       
CONECT    8    7   47   48   49                                       
CONECT    9    7   10   11   50                                       
CONECT   10    9   15   51   52                                       
CONECT   11    9   12   13   14                                       
CONECT   12   11   19   53   54                                       
CONECT   13   11   55   56   57                                       
CONECT   14   11   15   16   58                                       
CONECT   15   10   14   59   60                                       
CONECT   16   14   17   18   61                                       
CONECT   17   16   24   62   63                                       
CONECT   18   16   19   20   64                                       
CONECT   19   12   18   65   66                                       
CONECT   20   18   21   22   25                                       
CONECT   21   20   67   68   69                                       
CONECT   22   20   23   24   24                                       
CONECT   23   22   27   70   71                                       
CONECT   24   17   22   22   72                                       
CONECT   25   20   26   73   74                                       
CONECT   26   25   27   75   76                                       
CONECT   27   23   26   28   77                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   31   31                                       
CONECT   29   32   32                                                 
CONECT   30   29   78                                                 
CONECT   31   29   29                                                 
CONECT   32   29   29                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
