COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.933  -5.752   0.076  1.00  0.00           C  
HETATM    2  C   UNL     1       3.193  -4.829  -1.116  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907  -4.673  -1.930  1.00  0.00           C  
HETATM    4  C   UNL     1       3.640  -3.479  -0.618  1.00  0.00           C  
HETATM    5  C   UNL     1       4.878  -2.984  -0.985  1.00  0.00           C  
HETATM    6  C   UNL     1       5.293  -1.748  -0.532  1.00  0.00           C  
HETATM    7  C   UNL     1       2.807  -2.737   0.200  1.00  0.00           C  
HETATM    8  C   UNL     1       3.211  -1.500   0.660  1.00  0.00           C  
HETATM    9  C   UNL     1       4.460  -0.998   0.298  1.00  0.00           C  
HETATM   10  C   UNL     1       4.900   0.329   0.789  1.00  0.00           C  
HETATM   11  N   UNL     1       6.146   0.505   1.211  1.00  0.00           N  
HETATM   12  C   UNL     1       6.535   1.691   1.648  1.00  0.00           C  
HETATM   13  C   UNL     1       5.648   2.751   1.669  1.00  0.00           C  
HETATM   14  N   UNL     1       4.403   2.590   1.251  1.00  0.00           N  
HETATM   15  C   UNL     1       4.002   1.409   0.804  1.00  0.00           C  
HETATM   16  N   UNL     1       2.698   1.237   0.360  1.00  0.00           N  
HETATM   17  C   UNL     1       2.459   1.995  -0.875  1.00  0.00           C  
HETATM   18  C   UNL     1       1.076   1.639  -1.429  1.00  0.00           C  
HETATM   19  C   UNL     1       1.734   1.604   1.406  1.00  0.00           C  
HETATM   20  C   UNL     1       0.320   1.232   0.945  1.00  0.00           C  
HETATM   21  N   UNL     1       0.079   1.849  -0.368  1.00  0.00           N  
HETATM   22  S   UNL     1      -1.278   2.757  -0.644  1.00  0.00           S  
HETATM   23  O   UNL     1      -1.715   3.221   0.626  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.967   3.626  -1.724  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.528   1.662  -1.230  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.375   1.040  -0.334  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.662   1.431  -2.586  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.642   0.573  -3.054  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.491  -0.058  -2.167  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.363   0.175  -0.799  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.276  -0.496   0.159  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.272  -1.367  -0.290  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.065  -1.945   0.594  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.925  -1.709   1.890  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.776  -2.335   2.784  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.993  -0.890   2.355  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.158  -0.278   1.534  1.00  0.00           C  
HETATM   38  H   UNL     1       2.155  -5.322   0.706  1.00  0.00           H  
HETATM   39  H   UNL     1       2.610  -6.729  -0.285  1.00  0.00           H  
HETATM   40  H   UNL     1       3.850  -5.864   0.655  1.00  0.00           H  
HETATM   41  H   UNL     1       3.972  -5.260  -1.746  1.00  0.00           H  
HETATM   42  H   UNL     1       1.129  -4.242  -1.300  1.00  0.00           H  
HETATM   43  H   UNL     1       2.092  -4.015  -2.779  1.00  0.00           H  
HETATM   44  H   UNL     1       1.584  -5.649  -2.291  1.00  0.00           H  
HETATM   45  H   UNL     1       5.522  -3.566  -1.628  1.00  0.00           H  
HETATM   46  H   UNL     1       1.839  -3.126   0.480  1.00  0.00           H  
HETATM   47  H   UNL     1       6.260  -1.363  -0.819  1.00  0.00           H  
HETATM   48  H   UNL     1       2.560  -0.921   1.298  1.00  0.00           H  
HETATM   49  H   UNL     1       7.549   1.831   1.990  1.00  0.00           H  
HETATM   50  H   UNL     1       5.974   3.716   2.028  1.00  0.00           H  
HETATM   51  H   UNL     1       2.501   3.063  -0.660  1.00  0.00           H  
HETATM   52  H   UNL     1       3.222   1.742  -1.611  1.00  0.00           H  
HETATM   53  H   UNL     1       1.970   1.066   2.324  1.00  0.00           H  
HETATM   54  H   UNL     1       1.786   2.677   1.589  1.00  0.00           H  
HETATM   55  H   UNL     1       0.845   2.281  -2.279  1.00  0.00           H  
HETATM   56  H   UNL     1       1.064   0.595  -1.741  1.00  0.00           H  
HETATM   57  H   UNL     1       0.236   0.148   0.861  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.409   1.604   1.664  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.271   1.224   0.725  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.001   1.923  -3.284  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.743   0.396  -4.114  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.255  -0.727  -2.533  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.392  -1.564  -1.345  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.397   0.385   1.920  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.463  -2.937   2.458  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.686  -2.171   3.735  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3    4   41                                       
CONECT    3    2   42   43   44                                       
CONECT    4    2    5    7    7                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    9   47                                       
CONECT    7    4    4    8   46                                       
CONECT    8    7    9    9   48                                       
CONECT    9    6    8    8   10                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   49                                       
CONECT   13   12   12   14   50                                       
CONECT   14   13   15   15                                            
CONECT   15   10   14   14   16                                       
CONECT   16   15   17   19                                            
CONECT   17   16   18   51   52                                       
CONECT   18   17   21   55   56                                       
CONECT   19   16   20   53   54                                       
CONECT   20   19   21   57   58                                       
CONECT   21   18   20   22                                            
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   27   27                                       
CONECT   26   25   30   30   59                                       
CONECT   27   25   25   28   60                                       
CONECT   28   27   29   29   61                                       
CONECT   29   28   28   30   62                                       
CONECT   30   26   26   29   31                                       
CONECT   31   30   32   37   37                                       
CONECT   32   31   33   33   63                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   36   36                                       
CONECT   35   34   65   66                                            
CONECT   36   34   34   37                                            
CONECT   37   31   31   36   64                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   37                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
