COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.931   0.842  -0.798  1.00  0.00           C  
HETATM    2  C   UNL     1       4.607   0.926  -1.186  1.00  0.00           C  
HETATM    3  C   UNL     1       3.702  -0.032  -0.767  1.00  0.00           C  
HETATM    4  C   UNL     1       4.122  -1.073   0.040  1.00  0.00           C  
HETATM    5  C   UNL     1       5.446  -1.157   0.427  1.00  0.00           C  
HETATM    6  C   UNL     1       6.351  -0.199   0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       2.258   0.060  -1.189  1.00  0.00           C  
HETATM    8  C   UNL     1       1.477   0.880  -0.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.808   0.035  -0.161  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.371   2.072  -1.425  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.252   0.127  -0.583  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.812   3.228  -0.564  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.447  -0.820  -0.200  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.551  -2.276  -0.582  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.947   0.297   0.719  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.439   0.440   0.570  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.959   1.298  -0.381  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.329   1.430  -0.518  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.178   0.703   0.295  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.658  -0.155   1.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.288  -0.290   1.380  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.967  -3.423   0.341  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.027   4.233  -0.134  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.845   5.089   0.638  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.080   4.557   0.634  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.516  -4.733  -0.251  1.00  0.00           C  
HETATM   27  N   UNL     1       0.074   0.969  -0.570  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.002  -1.000  -0.012  1.00  0.00           N  
HETATM   29  N   UNL     1       8.195   0.528   1.917  1.00  0.00           N  
HETATM   30  O   UNL     1      -0.440  -0.878   0.546  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.056   3.433  -0.101  1.00  0.00           O  
HETATM   32  O   UNL     1       8.280  -1.675   0.808  1.00  0.00           O  
HETATM   33  O   UNL     1       8.787   0.409  -0.476  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.923  -4.748  -1.304  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.773  -5.884   0.391  1.00  0.00           O  
HETATM   36  S   UNL     1       8.040  -0.309   0.497  1.00  0.00           S  
HETATM   37  H   UNL     1       6.638   1.589  -1.128  1.00  0.00           H  
HETATM   38  H   UNL     1       4.279   1.740  -1.816  1.00  0.00           H  
HETATM   39  H   UNL     1       3.415  -1.821   0.368  1.00  0.00           H  
HETATM   40  H   UNL     1       5.774  -1.971   1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       2.195   0.544  -2.163  1.00  0.00           H  
HETATM   42  H   UNL     1       1.834  -0.942  -1.252  1.00  0.00           H  
HETATM   43  H   UNL     1       1.541   0.396   0.815  1.00  0.00           H  
HETATM   44  H   UNL     1       1.901   1.882  -0.097  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.206   1.740  -2.042  1.00  0.00           H  
HETATM   46  H   UNL     1       0.451   2.390  -2.066  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.677   1.065  -0.225  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.316   0.091  -1.671  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.964  -1.749   0.043  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.648  -0.554  -1.238  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.466  -2.266  -0.683  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.006  -2.416  -1.563  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.707   0.050   1.753  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.462   1.235   0.447  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.296   1.866  -1.017  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.735   2.101  -1.261  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.248   0.807   0.189  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.321  -0.723   1.881  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.882  -0.964   2.119  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.504  -3.288   1.319  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.051  -3.427   0.450  1.00  0.00           H  
HETATM   62  H   UNL     1       1.026   4.359  -0.338  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.537   5.997   1.137  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.946   4.967   1.132  1.00  0.00           H  
HETATM   65  H   UNL     1       7.422   0.960   2.313  1.00  0.00           H  
HETATM   66  H   UNL     1       9.060   0.586   2.354  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.465  -6.699  -0.029  1.00  0.00           H  
CONECT    1    2    2    6   37                                       
CONECT    2    3    1    1   38                                       
CONECT    3    7    4    4    2                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    1   36                                       
CONECT    7    8    3   41   42                                       
CONECT    8   27    7   43   44                                       
CONECT    9   11   30   30   27                                       
CONECT   10   27   12   45   46                                       
CONECT   11   28    9   47   48                                       
CONECT   12   10   23   23   31                                       
CONECT   13   28   15   49   50                                       
CONECT   14   22   28   51   52                                       
CONECT   15   13   16   53   54                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   19   19   56                                       
CONECT   19   18   18   20   57                                       
CONECT   20   21   21   19   58                                       
CONECT   21   16   20   20   59                                       
CONECT   22   26   14   60   61                                       
CONECT   23   12   12   24   62                                       
CONECT   24   23   25   25   63                                       
CONECT   25   24   24   31   64                                       
CONECT   26   34   34   22   35                                       
CONECT   27    9   10    8                                            
CONECT   28   14   13   11                                            
CONECT   29   36   65   66                                            
CONECT   30    9    9                                                 
CONECT   31   12   25                                                 
CONECT   32   36   36                                                 
CONECT   33   36   36                                                 
CONECT   34   26   26                                                 
CONECT   35   26   67                                                 
CONECT   36    6   29   32   32                                       
CONECT   36   33   33                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
