COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.281   0.337  -1.418  1.00  0.00           O  
HETATM    2  N   UNL     1       5.220   4.181   0.039  1.00  0.00           N  
HETATM    3  C   UNL     1       4.384   0.564  -0.634  1.00  0.00           C  
HETATM    4  C   UNL     1       4.246   1.935  -0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       5.355   2.845  -0.556  1.00  0.00           C  
HETATM    6  C   UNL     1       6.114   5.144  -0.622  1.00  0.00           C  
HETATM    7  C   UNL     1       5.899   6.532  -0.013  1.00  0.00           C  
HETATM    8  C   UNL     1       5.267   5.540   2.074  1.00  0.00           C  
HETATM    9  C   UNL     1       5.475   4.142   1.486  1.00  0.00           C  
HETATM   10  O   UNL     1       6.120   6.468   1.399  1.00  0.00           O  
HETATM   11  N   UNL     1       1.233  -2.030  -0.617  1.00  0.00           N  
HETATM   12  N   UNL     1       3.511  -0.409  -0.308  1.00  0.00           N  
HETATM   13  C   UNL     1       2.536  -2.652  -0.368  1.00  0.00           C  
HETATM   14  C   UNL     1       3.645  -1.742  -0.901  1.00  0.00           C  
HETATM   15  C   UNL     1       2.600  -4.004  -1.080  1.00  0.00           C  
HETATM   16  C   UNL     1       1.491  -4.914  -0.547  1.00  0.00           C  
HETATM   17  C   UNL     1       1.555  -6.267  -1.259  1.00  0.00           C  
HETATM   18  C   UNL     1       2.916  -6.916  -0.999  1.00  0.00           C  
HETATM   19  C   UNL     1       4.024  -6.006  -1.532  1.00  0.00           C  
HETATM   20  C   UNL     1       3.961  -4.654  -0.821  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.709   3.281  -1.505  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.169   4.399  -0.567  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.623   2.478  -0.836  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.376   2.393  -1.414  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.216  -2.515   0.521  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.372   1.651  -0.796  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.626   0.991   0.412  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.475   0.386   0.152  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.182  -0.299   0.512  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.163  -1.704  -0.094  1.00  0.00           C  
HETATM   31  C   UNL     1       0.178  -2.343   0.161  1.00  0.00           C  
HETATM   32  S   UNL     1      -2.700   1.336  -1.248  1.00  0.00           S  
HETATM   33  N   UNL     1      -3.541   0.328   0.856  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.911   1.096   0.979  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.879   1.831   0.364  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.893   2.367  -1.828  1.00  0.00           C  
HETATM   37  O   UNL     1       0.307  -3.140   1.066  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.208  -2.735   1.850  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.292  -3.569   2.483  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.050  -3.661   3.991  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.329  -2.260   2.538  1.00  0.00           O  
HETATM   42  H   UNL     1       3.275   2.354  -0.286  1.00  0.00           H  
HETATM   43  H   UNL     1       4.328   1.860   1.061  1.00  0.00           H  
HETATM   44  H   UNL     1       5.273   2.920  -1.641  1.00  0.00           H  
HETATM   45  H   UNL     1       6.326   2.426  -0.293  1.00  0.00           H  
HETATM   46  H   UNL     1       7.150   4.839  -0.475  1.00  0.00           H  
HETATM   47  H   UNL     1       5.891   5.175  -1.688  1.00  0.00           H  
HETATM   48  H   UNL     1       6.599   7.238  -0.459  1.00  0.00           H  
HETATM   49  H   UNL     1       4.878   6.860  -0.207  1.00  0.00           H  
HETATM   50  H   UNL     1       4.227   5.839   1.941  1.00  0.00           H  
HETATM   51  H   UNL     1       5.510   5.528   3.136  1.00  0.00           H  
HETATM   52  H   UNL     1       4.786   3.442   1.958  1.00  0.00           H  
HETATM   53  H   UNL     1       6.501   3.820   1.666  1.00  0.00           H  
HETATM   54  H   UNL     1       1.130  -1.393  -1.341  1.00  0.00           H  
HETATM   55  H   UNL     1       2.793  -0.228   0.319  1.00  0.00           H  
HETATM   56  H   UNL     1       2.670  -2.798   0.704  1.00  0.00           H  
HETATM   57  H   UNL     1       3.563  -1.667  -1.986  1.00  0.00           H  
HETATM   58  H   UNL     1       4.616  -2.161  -0.638  1.00  0.00           H  
HETATM   59  H   UNL     1       2.466  -3.858  -2.152  1.00  0.00           H  
HETATM   60  H   UNL     1       1.625  -5.061   0.525  1.00  0.00           H  
HETATM   61  H   UNL     1       0.521  -4.451  -0.732  1.00  0.00           H  
HETATM   62  H   UNL     1       0.765  -6.915  -0.879  1.00  0.00           H  
HETATM   63  H   UNL     1       1.421  -6.120  -2.330  1.00  0.00           H  
HETATM   64  H   UNL     1       3.050  -7.063   0.072  1.00  0.00           H  
HETATM   65  H   UNL     1       2.961  -7.880  -1.506  1.00  0.00           H  
HETATM   66  H   UNL     1       4.994  -6.469  -1.347  1.00  0.00           H  
HETATM   67  H   UNL     1       3.890  -5.860  -2.604  1.00  0.00           H  
HETATM   68  H   UNL     1       4.751  -4.006  -1.200  1.00  0.00           H  
HETATM   69  H   UNL     1       4.095  -4.800   0.251  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.324   3.716  -2.427  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.554   3.963   0.355  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.325   5.049  -0.336  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.954   4.979  -1.050  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.177   2.900  -2.347  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.919  -2.895  -0.029  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.344   0.277   0.120  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.098  -0.370   1.596  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.335  -1.638  -1.169  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.129   0.595   1.911  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.859   1.903   0.811  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.278   1.932  -0.906  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.679   2.948  -2.312  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.566   1.571  -2.497  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.261  -3.107   2.298  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.278  -4.570   2.051  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.063  -2.661   4.423  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.833  -4.265   4.449  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.080  -4.124   4.176  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    9    5    6                                            
CONECT    3    1    1   12    4                                       
CONECT    4    5    3   42   43                                       
CONECT    5    2    4   44   45                                       
CONECT    6    2    7   46   47                                       
CONECT    7   10    6   48   49                                       
CONECT    8    9   10   50   51                                       
CONECT    9    8    2   52   53                                       
CONECT   10    8    7                                                 
CONECT   11   13   31   54                                            
CONECT   12   14    3   55                                            
CONECT   13   14   15   11   56                                       
CONECT   14   12   13   57   58                                       
CONECT   15   20   13   16   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   18   16   62   63                                       
CONECT   18   19   17   64   65                                       
CONECT   19   20   18   66   67                                       
CONECT   20   19   15   68   69                                       
CONECT   21   23   22   36   70                                       
CONECT   22   21   71   72   73                                       
CONECT   23   35   35   24   21                                       
CONECT   24   26   26   23   74                                       
CONECT   25   30   38   75                                            
CONECT   26   27   32   24   24                                       
CONECT   27   33   34   34   26                                       
CONECT   28   29   33   33   32                                       
CONECT   29   30   28   76   77                                       
CONECT   30   31   25   29   78                                       
CONECT   31   11   30   37   37                                       
CONECT   32   28   26                                                 
CONECT   33   28   28   27                                            
CONECT   34   27   27   35   79                                       
CONECT   35   34   23   23   80                                       
CONECT   36   21   81   82   83                                       
CONECT   37   31   31                                                 
CONECT   38   41   41   25   39                                       
CONECT   39   38   40   84   85                                       
CONECT   40   39   88   86   87                                       
CONECT   41   38   38                                                 
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
