COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.118  -2.988  -1.266  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.035  -4.007  -0.126  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.413  -4.142   0.529  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.873  -2.764   1.013  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.886  -1.794  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.287  -0.400   0.316  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.019  -3.529   0.913  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.623  -3.506   0.289  1.00  0.00           C  
HETATM    9  C   UNL     1       0.393  -3.027   1.328  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.992   3.207  -0.791  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.165   3.509   0.039  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.382   2.844  -0.551  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.382   2.500  -1.714  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.383   5.023   0.084  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.182   5.690   0.757  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.330   7.211   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.119   5.265   2.226  1.00  0.00           C  
HETATM   18  C   UNL     1       3.687  -2.361   0.048  1.00  0.00           C  
HETATM   19  C   UNL     1       2.560  -1.938   0.690  1.00  0.00           C  
HETATM   20  C   UNL     1       4.900  -1.557  -0.248  1.00  0.00           C  
HETATM   21  C   UNL     1       4.967  -0.223   0.147  1.00  0.00           C  
HETATM   22  C   UNL     1       6.097   0.520  -0.130  1.00  0.00           C  
HETATM   23  C   UNL     1       7.161  -0.058  -0.799  1.00  0.00           C  
HETATM   24  C   UNL     1       7.099  -1.382  -1.194  1.00  0.00           C  
HETATM   25  C   UNL     1       5.976  -2.136  -0.916  1.00  0.00           C  
HETATM   26  C   UNL     1       8.391   0.758  -1.099  1.00  0.00           C  
HETATM   27  C   UNL     1       9.382   0.633   0.060  1.00  0.00           C  
HETATM   28  C   UNL     1      10.632   1.461  -0.245  1.00  0.00           C  
HETATM   29  C   UNL     1      11.622   1.336   0.914  1.00  0.00           C  
HETATM   30  C   UNL     1      12.872   2.164   0.610  1.00  0.00           C  
HETATM   31  N   UNL     1       1.730  -3.005   0.730  1.00  0.00           N  
HETATM   32  N   UNL     1       2.313  -3.997   0.156  1.00  0.00           N  
HETATM   33  N   UNL     1       3.482  -3.655  -0.258  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.471   2.631   0.214  1.00  0.00           N  
HETATM   35  O   UNL     1      -6.756   1.791   0.619  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.080   2.572  -1.657  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.348  -4.651  -0.425  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.189  -2.866   1.563  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.582  -1.738  -0.753  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.411   0.479  -0.804  1.00  0.00           O  
HETATM   41  S   UNL     1      -5.809   1.901  -0.434  1.00  0.00           S  
HETATM   42  H   UNL     1      -2.131  -2.856  -1.709  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.812  -3.349  -2.026  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.724  -4.973  -0.524  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.348  -4.825   1.376  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.187  -2.398   1.777  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.603  -2.139  -0.916  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.242  -0.459   0.839  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.524  -0.019   0.995  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.285  -2.525   1.246  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.025  -4.208   1.766  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.357  -4.509  -0.044  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.617  -2.826  -0.564  1.00  0.00           H  
HETATM   54  H   UNL     1       0.127  -2.024   1.661  1.00  0.00           H  
HETATM   55  H   UNL     1       0.387  -3.706   2.181  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.789   2.218  -0.784  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.119   3.543  -1.734  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.001   3.135   1.050  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.489   5.405  -0.931  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.287   5.243   0.652  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.266   5.386   0.251  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.328   7.518  -0.373  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.269   7.511   1.138  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.498   7.686   1.193  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.013   4.182   2.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.264   5.741   2.705  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.035   5.569   2.732  1.00  0.00           H  
HETATM   68  H   UNL     1       2.369  -0.952   1.086  1.00  0.00           H  
HETATM   69  H   UNL     1       4.136   0.229   0.668  1.00  0.00           H  
HETATM   70  H   UNL     1       6.150   1.554   0.175  1.00  0.00           H  
HETATM   71  H   UNL     1       7.932  -1.828  -1.716  1.00  0.00           H  
HETATM   72  H   UNL     1       5.931  -3.171  -1.220  1.00  0.00           H  
HETATM   73  H   UNL     1       8.856   0.393  -2.015  1.00  0.00           H  
HETATM   74  H   UNL     1       8.112   1.804  -1.226  1.00  0.00           H  
HETATM   75  H   UNL     1       8.918   0.998   0.976  1.00  0.00           H  
HETATM   76  H   UNL     1       9.662  -0.413   0.187  1.00  0.00           H  
HETATM   77  H   UNL     1      11.096   1.095  -1.161  1.00  0.00           H  
HETATM   78  H   UNL     1      10.352   2.507  -0.372  1.00  0.00           H  
HETATM   79  H   UNL     1      11.158   1.702   1.830  1.00  0.00           H  
HETATM   80  H   UNL     1      11.902   0.290   1.042  1.00  0.00           H  
HETATM   81  H   UNL     1      13.336   1.799  -0.306  1.00  0.00           H  
HETATM   82  H   UNL     1      12.592   3.210   0.482  1.00  0.00           H  
HETATM   83  H   UNL     1      13.577   2.075   1.436  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.472   2.906   1.145  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.243  -4.762  -0.077  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.544  -2.029   1.890  1.00  0.00           H  
CONECT    1   39    2   42   43                                       
CONECT    2    1    3    7   44                                       
CONECT    3    4    2   37   45                                       
CONECT    4   38    5    3   46                                       
CONECT    5   39    4    6   47                                       
CONECT    6    5   40   48   49                                       
CONECT    7    2    8   50   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9    8   31   54   55                                       
CONECT   10   11   56   57                                            
CONECT   11   14   10   12   58                                       
CONECT   12   11   34   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   11   59   60                                       
CONECT   15   17   14   16   61                                       
CONECT   16   15   62   63   64                                       
CONECT   17   15   65   66   67                                       
CONECT   18   33   19   19   20                                       
CONECT   19   31   18   18   68                                       
CONECT   20   18   21   21   25                                       
CONECT   21   20   20   22   69                                       
CONECT   22   21   23   23   70                                       
CONECT   23   22   22   24   26                                       
CONECT   24   25   25   23   71                                       
CONECT   25   20   24   24   72                                       
CONECT   26   23   27   73   74                                       
CONECT   27   26   28   75   76                                       
CONECT   28   27   29   77   78                                       
CONECT   29   28   30   79   80                                       
CONECT   30   29   81   82   83                                       
CONECT   31    9   32   19                                            
CONECT   32   31   33   33                                            
CONECT   33   32   32   18                                            
CONECT   34   12   41   84                                            
CONECT   35   41   41                                                 
CONECT   36   41   41                                                 
CONECT   37    3   85                                                 
CONECT   38    4   86                                                 
CONECT   39    5    1                                                 
CONECT   40    6   41                                                 
CONECT   41   40   34   35   35                                       
CONECT   41   36   36                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   34                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
