COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.756  -0.680  -0.838  1.00  0.00           C  
HETATM    2  N   UNL     1       0.307  -2.343   0.234  1.00  0.00           N  
HETATM    3  C   UNL     1       3.901   2.697  -1.605  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.016  -2.021  -1.206  1.00  0.00           C  
HETATM    5  C   UNL     1       6.318   1.523   0.781  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.329  -1.761  -0.644  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.240  -0.143  -2.049  1.00  0.00           C  
HETATM    8  C   UNL     1       7.368   2.056   0.057  1.00  0.00           C  
HETATM    9  C   UNL     1       1.665   1.083   0.180  1.00  0.00           C  
HETATM   10  C   UNL     1       0.786   0.012   0.322  1.00  0.00           C  
HETATM   11  C   UNL     1       1.202  -1.279   0.086  1.00  0.00           C  
HETATM   12  C   UNL     1       2.535  -1.523  -0.305  1.00  0.00           C  
HETATM   13  C   UNL     1       3.430  -0.435  -0.449  1.00  0.00           C  
HETATM   14  C   UNL     1       2.972   0.877  -0.200  1.00  0.00           C  
HETATM   15  C   UNL     1       2.992  -2.828  -0.552  1.00  0.00           C  
HETATM   16  C   UNL     1       4.287  -3.029  -0.922  1.00  0.00           C  
HETATM   17  C   UNL     1       5.165  -1.958  -1.070  1.00  0.00           C  
HETATM   18  C   UNL     1       0.092  -2.941   1.554  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.148  -2.472  -0.553  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.378  -0.591  -1.391  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.061  -0.856  -1.951  1.00  0.00           C  
HETATM   22  C   UNL     1       8.554   1.357  -0.060  1.00  0.00           C  
HETATM   23  C   UNL     1       8.690   0.119   0.550  1.00  0.00           C  
HETATM   24  C   UNL     1       7.635  -0.414   1.276  1.00  0.00           C  
HETATM   25  C   UNL     1       6.453   0.291   1.395  1.00  0.00           C  
HETATM   26  C   UNL     1       9.925  -1.840   1.090  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.426   0.161  -0.443  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.764   0.840  -0.584  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.532   0.732   0.735  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.952  -2.152   2.300  1.00  0.00           C  
HETATM   31  C   UNL     1       2.834   3.761  -1.618  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.693   0.675  -0.357  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.016   1.429  -0.516  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.830   2.265   1.721  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.503   1.519   1.902  1.00  0.00           C  
HETATM   36  N   UNL     1       3.842   1.962  -0.339  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.572   0.131  -1.485  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.233  -2.450   3.584  1.00  0.00           N  
HETATM   39  N   UNL     1       2.620   4.487  -2.733  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.836   1.393   0.598  1.00  0.00           N  
HETATM   41  O   UNL     1       4.172   1.941   2.107  1.00  0.00           O  
HETATM   42  O   UNL     1       0.264  -2.577  -2.222  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.871  -4.265  -0.769  1.00  0.00           O  
HETATM   44  O   UNL     1       5.128   3.785   0.717  1.00  0.00           O  
HETATM   45  O   UNL     1       9.855  -0.571   0.436  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.116  -0.358   0.609  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.540  -1.248   1.744  1.00  0.00           O  
HETATM   48  O   UNL     1       2.167   3.963  -0.626  1.00  0.00           O  
HETATM   49  O   UNL     1     -12.635   1.570   0.765  1.00  0.00           O  
HETATM   50  S   UNL     1      -0.510  -2.927  -1.082  1.00  0.00           S  
HETATM   51  S   UNL     1       4.807   2.417   0.928  1.00  0.00           S  
HETATM   52  H   UNL     1       5.448   0.141  -0.956  1.00  0.00           H  
HETATM   53  H   UNL     1       3.737   2.007  -2.433  1.00  0.00           H  
HETATM   54  H   UNL     1       4.880   3.164  -1.709  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.212  -2.112  -0.131  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.275   0.766  -2.632  1.00  0.00           H  
HETATM   57  H   UNL     1       7.261   3.021  -0.418  1.00  0.00           H  
HETATM   58  H   UNL     1       1.317   2.087   0.370  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.235   0.197   0.621  1.00  0.00           H  
HETATM   60  H   UNL     1       2.322  -3.667  -0.445  1.00  0.00           H  
HETATM   61  H   UNL     1       4.636  -4.033  -1.112  1.00  0.00           H  
HETATM   62  H   UNL     1       6.185  -2.143  -1.373  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.246  -3.971   1.436  1.00  0.00           H  
HETATM   64  H   UNL     1       1.027  -2.929   2.115  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.109  -3.381   0.028  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.174  -0.504  -2.456  1.00  0.00           H  
HETATM   67  H   UNL     1       9.373   1.774  -0.626  1.00  0.00           H  
HETATM   68  H   UNL     1       7.739  -1.379   1.752  1.00  0.00           H  
HETATM   69  H   UNL     1       5.632  -0.123   1.960  1.00  0.00           H  
HETATM   70  H   UNL     1       9.767  -1.706   2.160  1.00  0.00           H  
HETATM   71  H   UNL     1       9.154  -2.498   0.689  1.00  0.00           H  
HETATM   72  H   UNL     1      10.906  -2.283   0.920  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.614   1.890  -0.832  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.334   0.356  -1.377  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.681  -0.319   0.984  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.961   1.215   1.529  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.889  -0.331   0.014  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.190   0.615  -1.323  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.824   2.416  -0.938  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.675   0.871  -1.181  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.354   2.311   2.675  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.633   3.276   1.365  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.863   2.076   2.586  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.696   0.527   2.310  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.786   0.610  -2.301  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.763  -3.172   4.028  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.906  -1.941   4.064  1.00  0.00           H  
HETATM   88  H   UNL     1       3.154   4.325  -3.527  1.00  0.00           H  
HETATM   89  H   UNL     1       1.933   5.172  -2.742  1.00  0.00           H  
CONECT    1   13   13   17   52                                       
CONECT    2   50   11   18                                            
CONECT    3   36   31   53   54                                       
CONECT    4   19   19   21   50                                       
CONECT    5    8    8   25   51                                       
CONECT    6   20   20   19   55                                       
CONECT    7   20   21   21   56                                       
CONECT    8   22    5    5   57                                       
CONECT    9   14   14   10   58                                       
CONECT   10    9   11   11   59                                       
CONECT   11   10   10   12    2                                       
CONECT   12   13   11   15   15                                       
CONECT   13   14    1    1   12                                       
CONECT   14   36    9    9   13                                       
CONECT   15   12   12   16   60                                       
CONECT   16   17   17   15   61                                       
CONECT   17    1   16   16   62                                       
CONECT   18    2   30   63   64                                       
CONECT   19    6    4    4   65                                       
CONECT   20   37    6    6    7                                       
CONECT   21    7    7    4   66                                       
CONECT   22   23   23    8   67                                       
CONECT   23   45   22   22   24                                       
CONECT   24   23   25   25   68                                       
CONECT   25   24   24    5   69                                       
CONECT   26   45   70   71   72                                       
CONECT   27   46   46   37   28                                       
CONECT   28   27   29   73   74                                       
CONECT   29   40   28   75   76                                       
CONECT   30   18   47   47   38                                       
CONECT   31   39    3   48   48                                       
CONECT   32   33   40   77   78                                       
CONECT   33   49   32   79   80                                       
CONECT   34   49   35   81   82                                       
CONECT   35   34   40   83   84                                       
CONECT   36   51   14    3                                            
CONECT   37   27   20   85                                            
CONECT   38   30   86   87                                            
CONECT   39   31   88   89                                            
CONECT   40   35   32   29                                            
CONECT   41   51   51                                                 
CONECT   42   50   50                                                 
CONECT   43   50   50                                                 
CONECT   44   51   51                                                 
CONECT   45   26   23                                                 
CONECT   46   27   27                                                 
CONECT   47   30   30                                                 
CONECT   48   31   31                                                 
CONECT   49   34   33                                                 
CONECT   50    4   43   43   42                                       
CONECT   50   42    2                                                 
CONECT   51    5   44   44   41                                       
CONECT   51   41   36                                                 
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
