COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.004  -1.417   0.479  1.00  0.00           C  
HETATM    2  C   UNL     1       1.374  -0.941   0.709  1.00  0.00           C  
HETATM    3  C   UNL     1       2.027  -2.311   0.903  1.00  0.00           C  
HETATM    4  C   UNL     1       1.095  -3.209   1.720  1.00  0.00           C  
HETATM    5  C   UNL     1       1.690  -4.615   1.808  1.00  0.00           C  
HETATM    6  C   UNL     1       0.937  -2.632   3.128  1.00  0.00           C  
HETATM    7  C   UNL     1       2.341  -0.019   0.012  1.00  0.00           C  
HETATM    8  C   UNL     1       4.422   1.247  -0.043  1.00  0.00           C  
HETATM    9  C   UNL     1       4.747   0.808  -1.472  1.00  0.00           C  
HETATM   10  C   UNL     1       5.482  -0.533  -1.440  1.00  0.00           C  
HETATM   11  C   UNL     1       5.807  -0.993  -2.844  1.00  0.00           C  
HETATM   12  C   UNL     1       7.733  -1.345  -1.594  1.00  0.00           C  
HETATM   13  C   UNL     1       6.863  -0.378  -0.762  1.00  0.00           C  
HETATM   14  C   UNL     1       3.735   2.613  -0.072  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.316  -2.006   0.409  1.00  0.00           C  
HETATM   16  N   UNL     1       0.165  -1.087  -0.105  1.00  0.00           N  
HETATM   17  N   UNL     1       3.530   0.264   0.578  1.00  0.00           N  
HETATM   18  N   UNL     1       7.075  -1.437  -2.903  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.055  -1.594   1.680  1.00  0.00           O  
HETATM   20  O   UNL     1       5.037  -0.965  -3.780  1.00  0.00           O  
HETATM   21  O   UNL     1       4.626   3.583  -0.626  1.00  0.00           O  
HETATM   22  O   UNL     1       2.048   0.469  -1.060  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.117  -1.546  -0.268  1.00  0.00           O  
HETATM   24  S   UNL     1       3.286   3.100   1.617  1.00  0.00           S  
HETATM   25  H   UNL     1       1.110  -0.523   1.681  1.00  0.00           H  
HETATM   26  H   UNL     1       2.210  -2.767  -0.070  1.00  0.00           H  
HETATM   27  H   UNL     1       2.972  -2.192   1.432  1.00  0.00           H  
HETATM   28  H   UNL     1       0.119  -3.256   1.236  1.00  0.00           H  
HETATM   29  H   UNL     1       2.665  -4.568   2.292  1.00  0.00           H  
HETATM   30  H   UNL     1       1.026  -5.255   2.390  1.00  0.00           H  
HETATM   31  H   UNL     1       1.802  -5.026   0.805  1.00  0.00           H  
HETATM   32  H   UNL     1       0.513  -1.630   3.066  1.00  0.00           H  
HETATM   33  H   UNL     1       0.274  -3.272   3.711  1.00  0.00           H  
HETATM   34  H   UNL     1       1.913  -2.585   3.613  1.00  0.00           H  
HETATM   35  H   UNL     1       5.344   1.316   0.534  1.00  0.00           H  
HETATM   36  H   UNL     1       3.822   0.703  -2.039  1.00  0.00           H  
HETATM   37  H   UNL     1       5.380   1.558  -1.947  1.00  0.00           H  
HETATM   38  H   UNL     1       4.884  -1.282  -0.920  1.00  0.00           H  
HETATM   39  H   UNL     1       8.741  -0.945  -1.706  1.00  0.00           H  
HETATM   40  H   UNL     1       7.768  -2.326  -1.120  1.00  0.00           H  
HETATM   41  H   UNL     1       7.227   0.646  -0.848  1.00  0.00           H  
HETATM   42  H   UNL     1       6.822  -0.690   0.282  1.00  0.00           H  
HETATM   43  H   UNL     1       2.835   2.554  -0.684  1.00  0.00           H  
HETATM   44  H   UNL     1       0.205  -0.946  -1.064  1.00  0.00           H  
HETATM   45  H   UNL     1       3.796  -0.182   1.398  1.00  0.00           H  
HETATM   46  H   UNL     1       7.499  -1.774  -3.707  1.00  0.00           H  
HETATM   47  H   UNL     1       4.908   3.386  -1.530  1.00  0.00           H  
HETATM   48  O   UNL     1       4.393   2.939   2.493  1.00  0.00           O  
HETATM   49  O   UNL     1       2.531   4.304   1.605  1.00  0.00           O  
HETATM   50  O   UNL     1       2.293   2.039   2.067  1.00  0.00           O  
HETATM   51  C   UNL     1      -3.724  -0.984   1.474  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.967   0.373   0.807  1.00  0.00           C  
HETATM   53  N   UNL     1      -4.949   0.201  -0.272  1.00  0.00           N  
HETATM   54  C   UNL     1      -4.699  -0.818  -1.299  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.448  -2.163  -0.609  1.00  0.00           C  
HETATM   56  C   UNL     1      -6.059   0.964  -0.317  1.00  0.00           C  
HETATM   57  O   UNL     1      -6.255   1.804   0.539  1.00  0.00           O  
HETATM   58  O   UNL     1      -6.951   0.796  -1.312  1.00  0.00           O  
HETATM   59  C   UNL     1      -3.039  -3.354   1.076  1.00  0.00           C  
HETATM   60  H   UNL     1       1.959   2.168   2.965  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.638  -1.317   1.966  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.927  -0.890   2.211  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.352   1.078   1.544  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.031   0.749   0.393  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.568  -0.900  -1.953  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.823  -0.539  -1.885  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.166  -2.907  -1.354  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.355  -2.484  -0.098  1.00  0.00           H  
HETATM   69  C   UNL     1      -8.123   1.653  -1.298  1.00  0.00           C  
HETATM   70  C   UNL     1      -7.686   3.117  -1.381  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.014   1.318  -2.496  1.00  0.00           C  
HETATM   72  C   UNL     1      -8.905   1.427  -0.002  1.00  0.00           C  
HETATM   73  H   UNL     1      -7.130   3.278  -2.304  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.566   3.760  -1.371  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.052   3.355  -0.528  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.326   0.275  -2.437  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.894   1.961  -2.485  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.458   1.479  -3.419  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.270   1.665   0.851  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.785   2.070   0.008  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.216   0.384   0.057  1.00  0.00           H  
HETATM   82  C   UNL     1      -2.581  -4.361   0.019  1.00  0.00           C  
HETATM   83  H   UNL     1      -2.258  -3.235   1.827  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.950  -3.717   1.553  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.463  -5.343   0.479  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.326  -4.419  -0.774  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.628  -4.040  -0.400  1.00  0.00           H  
CONECT    1   16   23   19   19                                       
CONECT    2    3   16    7   25                                       
CONECT    3    4    2   26   27                                       
CONECT    4    6    5    3   28                                       
CONECT    5    4   29   30   31                                       
CONECT    6    4   32   33   34                                       
CONECT    7    2   22   22   17                                       
CONECT    8   17   14    9   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   13   11   38                                       
CONECT   11   10   20   20   18                                       
CONECT   12   13   18   39   40                                       
CONECT   13   10   12   41   42                                       
CONECT   14   21    8   24   43                                       
CONECT   15   23   51   55   59                                       
CONECT   16    2    1   44                                            
CONECT   17    7    8   45                                            
CONECT   18   12   11   46                                            
CONECT   19    1    1                                                 
CONECT   20   11   11                                                 
CONECT   21   14   47                                                 
CONECT   22    7    7                                                 
CONECT   23    1   15                                                 
CONECT   24   14   48   48   49                                       
CONECT   24   49   50                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   24   24                                                 
CONECT   49   24   24                                                 
CONECT   50   24   60                                                 
CONECT   51   15   52   61   62                                       
CONECT   52   51   53   63   64                                       
CONECT   53   52   54   56                                            
CONECT   54   53   55   65   66                                       
CONECT   55   54   15   67   68                                       
CONECT   56   53   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   69                                                 
CONECT   59   15   82   83   84                                       
CONECT   60   50                                                      
CONECT   61   51                                                      
CONECT   62   51                                                      
CONECT   63   52                                                      
CONECT   64   52                                                      
CONECT   65   54                                                      
CONECT   66   54                                                      
CONECT   67   55                                                      
CONECT   68   55                                                      
CONECT   69   58   70   71   72                                       
CONECT   70   69   73   74   75                                       
CONECT   71   69   76   77   78                                       
CONECT   72   69   79   80   81                                       
CONECT   73   70                                                      
CONECT   74   70                                                      
CONECT   75   70                                                      
CONECT   76   71                                                      
CONECT   77   71                                                      
CONECT   78   71                                                      
CONECT   79   72                                                      
CONECT   80   72                                                      
CONECT   81   72                                                      
CONECT   82   59   85   86   87                                       
CONECT   83   59                                                      
CONECT   84   59                                                      
CONECT   85   82                                                      
CONECT   86   82                                                      
CONECT   87   82                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
