COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.017  -4.856  -1.867  1.00  0.00           C  
HETATM    2  C   UNL     1      10.078  -3.862  -0.705  1.00  0.00           C  
HETATM    3  C   UNL     1      10.759  -2.573  -1.172  1.00  0.00           C  
HETATM    4  C   UNL     1       8.681  -3.549  -0.236  1.00  0.00           C  
HETATM    5  C   UNL     1      10.878  -4.472   0.447  1.00  0.00           C  
HETATM    6  N   UNL     1       8.074  -2.410  -0.510  1.00  0.00           N  
HETATM    7  C   UNL     1       6.871  -2.260  -0.050  1.00  0.00           C  
HETATM    8  S   UNL     1       6.397  -3.653   0.820  1.00  0.00           S  
HETATM    9  C   UNL     1       7.954  -4.406   0.485  1.00  0.00           C  
HETATM   10  N   UNL     1       6.083  -1.132  -0.237  1.00  0.00           N  
HETATM   11  C   UNL     1       4.842  -1.083   0.286  1.00  0.00           C  
HETATM   12  C   UNL     1       4.001   0.120   0.086  1.00  0.00           C  
HETATM   13  O   UNL     1       4.413  -2.025   0.922  1.00  0.00           O  
HETATM   14  C   UNL     1       2.726   0.180   0.620  1.00  0.00           C  
HETATM   15  C   UNL     1       1.947   1.336   0.416  1.00  0.00           C  
HETATM   16  N   UNL     1       2.460   2.378  -0.305  1.00  0.00           N  
HETATM   17  C   UNL     1       3.718   2.312  -0.830  1.00  0.00           C  
HETATM   18  C   UNL     1       4.493   1.223  -0.647  1.00  0.00           C  
HETATM   19  N   UNL     1       0.721   1.388   0.932  1.00  0.00           N  
HETATM   20  C   UNL     1       1.721   3.492  -0.508  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.057   2.450   0.771  1.00  0.00           C  
HETATM   22  C   UNL     1       0.419   3.557   0.037  1.00  0.00           C  
HETATM   23  O   UNL     1       2.172   4.426  -1.150  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.323   2.473   1.318  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.416   4.744  -0.157  1.00  0.00           C  
HETATM   26  C   UNL     1       0.006   5.743  -0.962  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.755   6.992  -1.041  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.866   7.281  -0.385  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.271   8.462  -0.686  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.474   9.012  -1.536  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.451   8.086  -1.801  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.492   2.083   0.517  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.266   0.997   1.270  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.491   0.690   0.555  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.606   1.499   2.675  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.313   1.791   3.441  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.528   2.881   2.714  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.965  -0.565   0.664  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.099  -0.915   0.025  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.615  -2.281   0.143  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.903  -2.413  -0.673  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.420  -3.782  -0.554  1.00  0.00           N1+
HETATM   43  C   UNL     1      -9.656  -3.909  -1.337  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.371  -1.383   1.338  1.00  0.00           O  
HETATM   45  C   UNL     1     -10.163  -5.325  -1.252  1.00  0.00           C  
HETATM   46  O   UNL     1      -9.615  -6.125  -0.512  1.00  0.00           O1-
HETATM   47  O   UNL     1     -11.120  -5.672  -1.923  1.00  0.00           O  
HETATM   48  C   UNL     1      -7.419  -4.729  -1.063  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.702  -4.079   0.857  1.00  0.00           C  
HETATM   50  H   UNL     1      11.028  -5.081  -2.206  1.00  0.00           H  
HETATM   51  H   UNL     1       9.532  -5.773  -1.534  1.00  0.00           H  
HETATM   52  H   UNL     1       9.447  -4.420  -2.688  1.00  0.00           H  
HETATM   53  H   UNL     1      10.189  -2.138  -1.993  1.00  0.00           H  
HETATM   54  H   UNL     1      10.803  -1.865  -0.344  1.00  0.00           H  
HETATM   55  H   UNL     1      11.770  -2.799  -1.511  1.00  0.00           H  
HETATM   56  H   UNL     1      11.889  -4.698   0.108  1.00  0.00           H  
HETATM   57  H   UNL     1      10.922  -3.764   1.275  1.00  0.00           H  
HETATM   58  H   UNL     1      10.394  -5.390   0.780  1.00  0.00           H  
HETATM   59  H   UNL     1       8.266  -5.388   0.807  1.00  0.00           H  
HETATM   60  H   UNL     1       6.425  -0.380  -0.745  1.00  0.00           H  
HETATM   61  H   UNL     1       2.332  -0.650   1.188  1.00  0.00           H  
HETATM   62  H   UNL     1       4.102   3.148  -1.396  1.00  0.00           H  
HETATM   63  H   UNL     1       5.489   1.193  -1.065  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.370   4.821   0.344  1.00  0.00           H  
HETATM   65  H   UNL     1       0.905   5.621  -1.548  1.00  0.00           H  
HETATM   66  H   UNL     1       0.307   8.198  -2.396  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.135   2.950   0.363  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.161   1.695  -0.447  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.653   0.098   1.343  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.198   2.411   2.601  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.178   0.738   3.205  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.556   2.127   4.449  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.710   0.885   3.494  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.562   3.019   3.200  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.091   3.814   2.743  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.574  -0.262  -0.513  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.872  -2.984  -0.235  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.824  -2.501   1.190  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.646  -1.710  -0.295  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.694  -2.193  -1.720  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.410  -3.229  -0.939  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.454  -3.657  -2.378  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.533  -4.698  -0.429  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.835  -5.737  -1.056  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.146  -4.457  -2.082  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.510  -3.438   1.208  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.996  -5.123   0.957  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.807  -3.895   1.452  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   53   54   55                                       
CONECT    4    2    6    9    9                                       
CONECT    5    2   56   57   58                                       
CONECT    6    4    7    7                                            
CONECT    7    6    6    8   10                                       
CONECT    8    7    9                                                 
CONECT    9    4    4    8   59                                       
CONECT   10    7   11   60                                            
CONECT   11   10   12   13   13                                       
CONECT   12   11   14   14   18                                       
CONECT   13   11   11                                                 
CONECT   14   12   12   15   61                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15   17   20                                            
CONECT   17   16   18   18   62                                       
CONECT   18   12   17   17   63                                       
CONECT   19   15   15   21                                            
CONECT   20   16   22   23   23                                       
CONECT   21   19   22   22   24                                       
CONECT   22   20   21   21   25                                       
CONECT   23   20   20                                                 
CONECT   24   21   32   37                                            
CONECT   25   22   26   26   64                                       
CONECT   26   25   25   27   65                                       
CONECT   27   26   28   28   31                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30                                            
CONECT   30   29   29   31                                            
CONECT   31   27   30   66                                            
CONECT   32   24   33   67   68                                       
CONECT   33   32   34   35   69                                       
CONECT   34   33   38                                                 
CONECT   35   33   36   70   71                                       
CONECT   36   35   37   72   73                                       
CONECT   37   24   36   74   75                                       
CONECT   38   34   39   44   44                                       
CONECT   39   38   40   76                                            
CONECT   40   39   41   77   78                                       
CONECT   41   40   42   79   80                                       
CONECT   42   41   43   48   49                                       
CONECT   43   42   45   81   82                                       
CONECT   44   38   38                                                 
CONECT   45   43   46   47   47                                       
CONECT   46   45                                                      
CONECT   47   45   45                                                 
CONECT   48   42   83   84   85                                       
CONECT   49   42   86   87   88                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
CONECT   83   48                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   49                                                      
CONECT   88   49                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
