COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.973   1.019  -2.851  1.00  0.00           C  
HETATM    2  C   UNL     1       7.457   0.919  -4.142  1.00  0.00           C  
HETATM    3  C   UNL     1       7.690  -0.325  -4.698  1.00  0.00           C  
HETATM    4  C   UNL     1       7.439  -1.469  -3.964  1.00  0.00           C  
HETATM    5  C   UNL     1       6.955  -1.369  -2.672  1.00  0.00           C  
HETATM    6  C   UNL     1       6.721  -0.125  -2.117  1.00  0.00           C  
HETATM    7  C   UNL     1       6.194  -0.015  -0.709  1.00  0.00           C  
HETATM    8  O   UNL     1       4.742  -0.006  -0.736  1.00  0.00           O  
HETATM    9  C   UNL     1       4.110   0.088   0.449  1.00  0.00           C  
HETATM   10  O   UNL     1       4.753   0.160   1.477  1.00  0.00           O  
HETATM   11  N   UNL     1       2.763   0.102   0.495  1.00  0.00           N  
HETATM   12  C   UNL     1       2.075   0.204   1.784  1.00  0.00           C  
HETATM   13  C   UNL     1       1.958   1.676   2.185  1.00  0.00           C  
HETATM   14  C   UNL     1       3.334   2.243   2.422  1.00  0.00           C  
HETATM   15  C   UNL     1       4.031   2.822   1.378  1.00  0.00           C  
HETATM   16  C   UNL     1       5.294   3.342   1.595  1.00  0.00           C  
HETATM   17  C   UNL     1       5.858   3.284   2.856  1.00  0.00           C  
HETATM   18  C   UNL     1       5.160   2.706   3.899  1.00  0.00           C  
HETATM   19  C   UNL     1       3.896   2.189   3.683  1.00  0.00           C  
HETATM   20  C   UNL     1       0.676  -0.405   1.666  1.00  0.00           C  
HETATM   21  S   UNL     1       0.817  -2.184   1.336  1.00  0.00           S  
HETATM   22  O   UNL     1       1.350  -2.409   0.038  1.00  0.00           O  
HETATM   23  O   UNL     1       1.340  -2.861   2.470  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.749  -2.710   1.232  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.601  -2.261   0.128  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.908  -3.444  -0.793  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.681  -2.950  -2.017  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.598  -4.091  -1.245  1.00  0.00           C  
HETATM   29  P   UNL     1      -3.159  -1.591   0.796  1.00  0.00           P  
HETATM   30  O   UNL     1      -2.862  -0.696   1.936  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.095  -2.803   1.294  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.024  -0.651  -0.505  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.196   0.114   0.112  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.318  -0.845   0.416  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.193  -2.020   0.164  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.457  -0.394   0.966  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.680   1.161  -0.859  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.657   2.496  -0.502  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.140   0.786  -2.107  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.583   1.746  -2.997  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.567   3.081  -2.639  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.101   3.457  -1.393  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.077   4.912  -1.004  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.788   5.502  -1.391  1.00  0.00           N  
HETATM   45  H   UNL     1       6.795   1.991  -2.415  1.00  0.00           H  
HETATM   46  H   UNL     1       7.653   1.812  -4.716  1.00  0.00           H  
HETATM   47  H   UNL     1       8.067  -0.404  -5.707  1.00  0.00           H  
HETATM   48  H   UNL     1       7.620  -2.441  -4.398  1.00  0.00           H  
HETATM   49  H   UNL     1       6.759  -2.262  -2.098  1.00  0.00           H  
HETATM   50  H   UNL     1       6.541  -0.867  -0.124  1.00  0.00           H  
HETATM   51  H   UNL     1       6.555   0.908  -0.257  1.00  0.00           H  
HETATM   52  H   UNL     1       2.249   0.045  -0.326  1.00  0.00           H  
HETATM   53  H   UNL     1       2.643  -0.335   2.543  1.00  0.00           H  
HETATM   54  H   UNL     1       1.468   2.232   1.386  1.00  0.00           H  
HETATM   55  H   UNL     1       1.369   1.758   3.099  1.00  0.00           H  
HETATM   56  H   UNL     1       3.591   2.868   0.393  1.00  0.00           H  
HETATM   57  H   UNL     1       5.839   3.794   0.780  1.00  0.00           H  
HETATM   58  H   UNL     1       6.844   3.690   3.025  1.00  0.00           H  
HETATM   59  H   UNL     1       5.601   2.660   4.884  1.00  0.00           H  
HETATM   60  H   UNL     1       3.349   1.741   4.500  1.00  0.00           H  
HETATM   61  H   UNL     1       0.132  -0.250   2.597  1.00  0.00           H  
HETATM   62  H   UNL     1       0.139   0.075   0.847  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.103  -3.315   1.902  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.085  -1.485  -0.437  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.509  -4.177  -0.255  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.150  -2.112  -2.469  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.769  -3.759  -2.743  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.677  -2.626  -1.712  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.052  -4.453  -0.374  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.816  -4.928  -1.909  1.00  0.00           H  
HETATM   71  H   UNL     1       0.008  -3.356  -1.774  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.330  -3.430   0.597  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.332   0.054  -0.965  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.398  -1.339  -1.263  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.871   0.596   1.034  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.148  -1.047   1.142  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.294   2.789   0.472  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.152  -0.257  -2.387  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.942   1.453  -3.973  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.912   3.832  -3.334  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.885   5.438  -1.514  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.209   5.003   0.074  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.748   6.478  -1.140  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.020   4.991  -0.981  1.00  0.00           H  
CONECT    1    6    6    2   45                                       
CONECT    2    1    3    3   46                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6   49                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   52                                            
CONECT   12   11   20   13   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   17   57                                       
CONECT   17   16   18   18   58                                       
CONECT   18   17   17   19   59                                       
CONECT   19   14   14   18   60                                       
CONECT   20   12   21   61   62                                       
CONECT   21   20   24   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   63                                            
CONECT   25   24   26   29   64                                       
CONECT   26   25   27   28   65                                       
CONECT   27   26   66   67   68                                       
CONECT   28   26   69   70   71                                       
CONECT   29   25   30   30   32                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   72                                                 
CONECT   32   29   33   73   74                                       
CONECT   33   32   37   34   75                                       
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   76                                                 
CONECT   37   33   38   38   39                                       
CONECT   38   37   37   42   77                                       
CONECT   39   37   40   40   78                                       
CONECT   40   39   39   41   79                                       
CONECT   41   40   42   42   80                                       
CONECT   42   38   41   41   43                                       
CONECT   43   42   44   81   82                                       
CONECT   44   43   83   84                                            
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
