COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.054  -4.014  -2.947  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.247  -4.551  -0.475  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.681  -1.494  -2.225  1.00  0.00           O  
HETATM    4  C   UNL     1       0.408  -1.631   0.861  1.00  0.00           C  
HETATM    5  C   UNL     1       2.276   0.500   1.020  1.00  0.00           C  
HETATM    6  C   UNL     1       2.888   1.642   0.250  1.00  0.00           C  
HETATM    7  C   UNL     1       2.055   2.583  -0.352  1.00  0.00           C  
HETATM    8  C   UNL     1       2.606   3.642  -1.083  1.00  0.00           C  
HETATM    9  C   UNL     1       3.975   3.764  -1.203  1.00  0.00           C  
HETATM   10  C   UNL     1       4.805   2.838  -0.608  1.00  0.00           C  
HETATM   11  C   UNL     1       4.267   1.770   0.120  1.00  0.00           C  
HETATM   12  C   UNL     1       6.938   0.266   2.332  1.00  0.00           C  
HETATM   13  C   UNL     1       7.002  -1.037   1.966  1.00  0.00           C  
HETATM   14  C   UNL     1       6.161  -1.533   0.952  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.191   2.889  -1.246  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.166   1.721  -0.334  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.401   0.892   0.185  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.841   0.645  -0.186  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.317  -3.582  -1.572  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.623  -2.295  -1.317  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.892  -1.853   0.092  1.00  0.00           C  
HETATM   22  S   UNL     1       1.594  -0.709  -0.152  1.00  0.00           S  
HETATM   23  C   UNL     1       5.195   0.792   0.734  1.00  0.00           C  
HETATM   24  C   UNL     1       6.057   1.174   1.742  1.00  0.00           C  
HETATM   25  N   UNL     1       5.924  -2.665   0.336  1.00  0.00           N  
HETATM   26  O   UNL     1       5.051  -2.492  -0.490  1.00  0.00           O  
HETATM   27  N   UNL     1       4.602  -1.365  -0.571  1.00  0.00           N  
HETATM   28  C   UNL     1       5.209  -0.601   0.297  1.00  0.00           C  
HETATM   29  C   UNL     1       0.583   2.509  -0.224  1.00  0.00           C  
HETATM   30  O   UNL     1       0.093   2.141   0.826  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.627   2.882  -1.159  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.569   1.480  -0.696  1.00  0.00           N  
HETATM   33  O   UNL     1      -3.992   0.562   1.278  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.669   1.944  -0.025  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.100   1.378   0.178  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.849   0.089   0.989  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.455  -0.313   0.750  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.841  -1.382   1.295  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.683  -1.620   1.025  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.594  -2.282   2.241  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.376   0.455  -0.582  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.496   0.454  -1.411  1.00  0.00           O  
HETATM   43  N   UNL     1      -1.729  -0.639   0.164  1.00  0.00           N  
HETATM   44  H   UNL     1       1.009  -3.908  -3.164  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.346  -5.057  -3.063  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.629  -3.397  -3.638  1.00  0.00           H  
HETATM   47  H   UNL     1       0.768  -4.578  -0.079  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.937  -4.255   0.315  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.520  -5.539  -0.845  1.00  0.00           H  
HETATM   50  H   UNL     1       0.199  -1.068   1.774  1.00  0.00           H  
HETATM   51  H   UNL     1       0.840  -2.597   1.133  1.00  0.00           H  
HETATM   52  H   UNL     1       2.999   0.012   1.665  1.00  0.00           H  
HETATM   53  H   UNL     1       1.468   0.877   1.653  1.00  0.00           H  
HETATM   54  H   UNL     1       1.954   4.368  -1.547  1.00  0.00           H  
HETATM   55  H   UNL     1       4.394   4.587  -1.763  1.00  0.00           H  
HETATM   56  H   UNL     1       5.877   2.933  -0.701  1.00  0.00           H  
HETATM   57  H   UNL     1       7.593   0.616   3.117  1.00  0.00           H  
HETATM   58  H   UNL     1       7.702  -1.699   2.455  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.115   1.965   0.729  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.910   0.276  -1.209  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.438  -2.673   0.600  1.00  0.00           H  
HETATM   62  H   UNL     1       6.051   2.200   2.081  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.968   3.825  -0.714  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.051   2.827  -2.170  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.896   1.744  -1.571  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.345   2.508   0.850  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.615   2.556  -0.925  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.714   2.077   0.746  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.564   1.149  -0.781  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.001   0.283   2.051  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.525  -0.698   0.654  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.472  -1.920   3.262  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.652  -2.281   1.979  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.203  -3.297   2.166  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.528  -0.609   0.745  1.00  0.00           H  
CONECT    1   19   44   45   46                                       
CONECT    2   19   47   48   49                                       
CONECT    3   20   20                                                 
CONECT    4   21   22   50   51                                       
CONECT    5   22    6   52   53                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6   29    8    8                                       
CONECT    8    7    7    9   54                                       
CONECT    9   10   10    8   55                                       
CONECT   10   11    9    9   56                                       
CONECT   11   23    6    6   10                                       
CONECT   12   13   13   24   57                                       
CONECT   13   12   12   14   58                                       
CONECT   14   13   25   25   28                                       
CONECT   15   31   29                                                 
CONECT   16   32   41   31   59                                       
CONECT   17   18   33   33   32                                       
CONECT   18   37   34   17   60                                       
CONECT   19    1   20    2                                            
CONECT   20    3    3   19   21                                       
CONECT   21   20    4   43   61                                       
CONECT   22    4    5                                                 
CONECT   23   24   24   28   11                                       
CONECT   24   12   23   23   62                                       
CONECT   25   14   14   26                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   28                                            
CONECT   28   14   27   27   23                                       
CONECT   29   15    7   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   16   15   63   64                                       
CONECT   32   17   16   65                                            
CONECT   33   17   17                                                 
CONECT   34   35   18   66   67                                       
CONECT   35   36   34   68   69                                       
CONECT   36   37   35   70   71                                       
CONECT   37   36   38   18                                            
CONECT   38   40   39   39   37                                       
CONECT   39   38   38                                                 
CONECT   40   38   72   73   74                                       
CONECT   41   43   16   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   21   41   75                                            
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   43                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
