COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.623  -1.694   0.911  1.00  0.00           O  
HETATM    2  C   UNL     1      12.824   0.983   0.605  1.00  0.00           C  
HETATM    3  C   UNL     1      11.816   0.309  -0.327  1.00  0.00           C  
HETATM    4  C   UNL     1      10.425   0.353   0.309  1.00  0.00           C  
HETATM    5  C   UNL     1       9.416  -0.322  -0.623  1.00  0.00           C  
HETATM    6  O   UNL     1       3.065  -0.803   0.402  1.00  0.00           O  
HETATM    7  C   UNL     1       8.025  -0.277   0.014  1.00  0.00           C  
HETATM    8  C   UNL     1       7.017  -0.952  -0.918  1.00  0.00           C  
HETATM    9  C   UNL     1       5.626  -0.908  -0.282  1.00  0.00           C  
HETATM   10  C   UNL     1       4.597  -1.469  -1.265  1.00  0.00           C  
HETATM   11  C   UNL     1       0.531  -1.416  -0.416  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.821  -1.819  -1.009  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.175  -1.724  -0.386  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.275  -1.358   0.577  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.627  -1.761  -0.015  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.980  -1.667   0.608  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.070  -1.404   1.615  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.319   0.102   1.716  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.518   0.361   2.630  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.079   0.786   2.296  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.608   0.666   0.324  1.00  0.00           C  
HETATM   22  C   UNL     1      14.215   0.939  -0.031  1.00  0.00           C  
HETATM   23  C   UNL     1      15.224   1.614   0.901  1.00  0.00           C  
HETATM   24  C   UNL     1       3.214  -1.313  -0.689  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.890  -1.462  -0.073  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.696  -1.405   0.921  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.446  -2.255  -1.442  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.259  -2.114  -0.484  1.00  0.00           O  
HETATM   29  O   UNL     1     -10.270  -2.058   1.200  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.840   2.073   0.418  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.907   3.020  -1.850  1.00  0.00           O  
HETATM   32  O   UNL     1     -11.347   2.439  -1.574  1.00  0.00           O  
HETATM   33  P   UNL     1     -10.175   2.993  -0.860  1.00  0.00           P  
HETATM   34  S   UNL     1       1.852  -1.856  -1.573  1.00  0.00           S  
HETATM   35  H   UNL     1       5.842  -2.625   0.769  1.00  0.00           H  
HETATM   36  H   UNL     1      12.532   2.021   0.767  1.00  0.00           H  
HETATM   37  H   UNL     1      12.845   0.458   1.560  1.00  0.00           H  
HETATM   38  H   UNL     1      11.795   0.834  -1.282  1.00  0.00           H  
HETATM   39  H   UNL     1      12.108  -0.729  -0.489  1.00  0.00           H  
HETATM   40  H   UNL     1      10.445  -0.172   1.264  1.00  0.00           H  
HETATM   41  H   UNL     1      10.132   1.390   0.472  1.00  0.00           H  
HETATM   42  H   UNL     1       9.396   0.204  -1.577  1.00  0.00           H  
HETATM   43  H   UNL     1       9.709  -1.359  -0.785  1.00  0.00           H  
HETATM   44  H   UNL     1       8.046  -0.803   0.968  1.00  0.00           H  
HETATM   45  H   UNL     1       7.733   0.760   0.176  1.00  0.00           H  
HETATM   46  H   UNL     1       6.996  -0.426  -1.873  1.00  0.00           H  
HETATM   47  H   UNL     1       7.309  -1.989  -1.081  1.00  0.00           H  
HETATM   48  H   UNL     1       5.370   0.123  -0.038  1.00  0.00           H  
HETATM   49  H   UNL     1       4.661  -0.926  -2.208  1.00  0.00           H  
HETATM   50  H   UNL     1       4.801  -2.526  -1.441  1.00  0.00           H  
HETATM   51  H   UNL     1       0.545  -0.340  -0.241  1.00  0.00           H  
HETATM   52  H   UNL     1       0.684  -1.940   0.527  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.975  -1.294  -1.952  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.835  -2.894  -1.185  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.121  -1.883   1.521  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.261  -0.283   0.753  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.780  -1.236  -0.959  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.641  -2.836  -0.191  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.765  -1.788   2.589  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.352  -0.121   3.593  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.638   1.434   2.777  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.419  -0.046   2.171  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.250   0.691   1.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.292   1.842   2.465  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.812   0.313   3.241  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.753   0.482  -0.327  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.491   0.179  -0.090  1.00  0.00           H  
HETATM   68  H   UNL     1      14.508  -0.098  -0.194  1.00  0.00           H  
HETATM   69  H   UNL     1      14.195   1.465  -0.986  1.00  0.00           H  
HETATM   70  H   UNL     1      14.931   2.651   1.063  1.00  0.00           H  
HETATM   71  H   UNL     1      15.244   1.088   1.855  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.674  -1.038   0.772  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.479  -0.980   1.766  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.601  -1.765   0.340  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.101   3.372  -1.448  1.00  0.00           H  
HETATM   76  O   UNL     1     -10.505   4.491  -0.370  1.00  0.00           O  
HETATM   77  C   UNL     1      16.615   1.570   0.264  1.00  0.00           C  
HETATM   78  C   UNL     1      17.623   2.244   1.196  1.00  0.00           C  
HETATM   79  C   UNL     1      19.014   2.200   0.560  1.00  0.00           C  
HETATM   80  H   UNL     1     -10.717   5.102  -1.089  1.00  0.00           H  
HETATM   81  H   UNL     1      16.907   0.532   0.102  1.00  0.00           H  
HETATM   82  H   UNL     1      16.594   2.095  -0.690  1.00  0.00           H  
HETATM   83  H   UNL     1      17.331   3.282   1.359  1.00  0.00           H  
HETATM   84  H   UNL     1      17.644   1.719   2.151  1.00  0.00           H  
HETATM   85  H   UNL     1      19.307   1.163   0.398  1.00  0.00           H  
HETATM   86  H   UNL     1      18.994   2.726  -0.395  1.00  0.00           H  
HETATM   87  H   UNL     1      19.733   2.681   1.224  1.00  0.00           H  
CONECT    1    9   35                                                 
CONECT    2   22    3   36   37                                       
CONECT    3    2    4   38   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    7   42   43                                       
CONECT    6   24   24                                                 
CONECT    7    8    5   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9    8   10    1   48                                       
CONECT   10    9   24   49   50                                       
CONECT   11   12   34   51   52                                       
CONECT   12   25   11   53   54                                       
CONECT   13   14   25   27   27                                       
CONECT   14   15   13   55   56                                       
CONECT   15   26   14   57   58                                       
CONECT   16   17   28   28   26                                       
CONECT   17   29   18   16   59                                       
CONECT   18   21   20   17   19                                       
CONECT   19   18   60   61   62                                       
CONECT   20   18   63   64   65                                       
CONECT   21   30   18   66   67                                       
CONECT   22   23    2   68   69                                       
CONECT   23   22   70   71   77                                       
CONECT   24    6    6   34   10                                       
CONECT   25   13   12   72                                            
CONECT   26   16   15   73                                            
CONECT   27   13   13                                                 
CONECT   28   16   16                                                 
CONECT   29   17   74                                                 
CONECT   30   33   21                                                 
CONECT   31   33   75                                                 
CONECT   32   33   33                                                 
CONECT   33   31   32   32   30                                       
CONECT   33   76                                                      
CONECT   34   11   24                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   31                                                      
CONECT   76   33   80                                                 
CONECT   77   23   78   81   82                                       
CONECT   78   77   79   83   84                                       
CONECT   79   78   85   86   87                                       
CONECT   80   76                                                      
CONECT   81   77                                                      
CONECT   82   77                                                      
CONECT   83   78                                                      
CONECT   84   78                                                      
CONECT   85   79                                                      
CONECT   86   79                                                      
CONECT   87   79                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
