COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.967  -1.844  -0.466  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.690  -2.533  -1.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.180  -2.628  -1.207  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.710  -2.170   0.137  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.239   0.191  -0.221  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.058   2.381  -0.468  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.852   3.008  -0.166  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.819   2.363   0.498  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.922   0.339   1.734  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.625  -0.992   1.186  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.510  -2.063   1.727  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.918  -1.543   1.998  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.195   1.041  -0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.108   0.399   0.515  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.949   1.037   0.878  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.821   4.411  -1.444  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.062   3.045  -1.103  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.751  -1.814  -2.233  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.209  -1.336   1.376  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.339  -0.395   0.539  1.00  0.00           C  
HETATM   21  C   UNL     1       1.135  -0.753   0.738  1.00  0.00           C  
HETATM   22  C   UNL     1       2.005   0.187  -0.099  1.00  0.00           C  
HETATM   23  C   UNL     1       3.479  -0.170   0.099  1.00  0.00           C  
HETATM   24  C   UNL     1       4.349   0.770  -0.738  1.00  0.00           C  
HETATM   25  N   UNL     1       5.761   0.428  -0.549  1.00  0.00           N  
HETATM   26  C   UNL     1       6.460  -0.508  -1.206  1.00  0.00           C  
HETATM   27  C   UNL     1       7.876  -0.685  -0.853  1.00  0.00           C  
HETATM   28  C   UNL     1       8.832  -1.576  -1.370  1.00  0.00           C  
HETATM   29  C   UNL     1      10.120  -1.571  -0.886  1.00  0.00           C  
HETATM   30  C   UNL     1      10.499  -0.694   0.115  1.00  0.00           C  
HETATM   31  C   UNL     1       9.569   0.193   0.637  1.00  0.00           C  
HETATM   32  C   UNL     1       8.288   0.191   0.158  1.00  0.00           C  
HETATM   33  S   UNL     1       6.832   1.129   0.526  1.00  0.00           S  
HETATM   34  O   UNL     1       5.939  -1.190  -2.067  1.00  0.00           O  
HETATM   35  O   UNL     1       6.416   0.773   1.838  1.00  0.00           O  
HETATM   36  O   UNL     1       7.059   2.463   0.094  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.019  -0.937   0.663  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.497  -1.044   0.682  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.898  -1.847  -0.621  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.188  -3.076  -2.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.478  -3.664  -1.371  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.775  -1.960   0.040  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.580  -2.978   0.858  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.714   4.037  -0.461  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.908   2.899   0.722  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.314   0.234   2.746  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.007   0.931   1.761  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.561  -2.880   1.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.088  -2.437   2.660  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.539  -2.347   2.393  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.876  -0.723   2.716  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.699   4.821  -1.944  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.620   4.982  -0.538  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.961   4.473  -2.111  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.489  -2.069  -3.128  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.948  -1.231   2.430  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.039  -2.365   1.061  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.600  -0.500  -0.514  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.509   0.634   0.855  1.00  0.00           H  
HETATM   60  H   UNL     1       1.396  -0.648   1.791  1.00  0.00           H  
HETATM   61  H   UNL     1       1.305  -1.782   0.422  1.00  0.00           H  
HETATM   62  H   UNL     1       1.744   0.083  -1.153  1.00  0.00           H  
HETATM   63  H   UNL     1       1.835   1.217   0.216  1.00  0.00           H  
HETATM   64  H   UNL     1       3.740  -0.065   1.152  1.00  0.00           H  
HETATM   65  H   UNL     1       3.649  -1.199  -0.217  1.00  0.00           H  
HETATM   66  H   UNL     1       4.088   0.665  -1.791  1.00  0.00           H  
HETATM   67  H   UNL     1       4.179   1.799  -0.423  1.00  0.00           H  
HETATM   68  H   UNL     1       8.554  -2.268  -2.151  1.00  0.00           H  
HETATM   69  H   UNL     1      10.844  -2.262  -1.291  1.00  0.00           H  
HETATM   70  H   UNL     1      11.513  -0.700   0.487  1.00  0.00           H  
HETATM   71  H   UNL     1       9.855   0.881   1.418  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.389  -0.703   1.661  1.00  0.00           H  
CONECT    1    2    2   38   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2   18    4   41                                       
CONECT    4    3   37   42   43                                       
CONECT    5   37   13                                                 
CONECT    6   17   13   13    7                                       
CONECT    7    6    8    8   44                                       
CONECT    8    7    7   15   45                                       
CONECT    9   15   10   46   47                                       
CONECT   10    9   11   19                                            
CONECT   11   10   12   48   49                                       
CONECT   12   11   38   50   51                                       
CONECT   13    5    6    6   14                                       
CONECT   14   13   38   15   15                                       
CONECT   15    8    9   14   14                                       
CONECT   16   17   52   53   54                                       
CONECT   17    6   16                                                 
CONECT   18    3   55                                                 
CONECT   19   10   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   23   62   63                                       
CONECT   23   22   24   64   65                                       
CONECT   24   23   25   66   67                                       
CONECT   25   24   26   33                                            
CONECT   26   25   34   34   27                                       
CONECT   27   26   32   32   28                                       
CONECT   28   27   29   29   68                                       
CONECT   29   28   28   30   69                                       
CONECT   30   29   31   31   70                                       
CONECT   31   30   30   32   71                                       
CONECT   32   27   27   31   33                                       
CONECT   33   25   32   35   35                                       
CONECT   33   36   36                                                 
CONECT   34   26   26                                                 
CONECT   35   33   33                                                 
CONECT   36   33   33                                                 
CONECT   37    4    5   38   72                                       
CONECT   38    1   12   14   37                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
