COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.076   1.396  -0.132  1.00  0.00           C  
HETATM    2  N   UNL     1       1.934  -3.384  -0.484  1.00  0.00           N  
HETATM    3  C   UNL     1       3.475   2.187   2.395  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.635  -3.970   0.311  1.00  0.00           C  
HETATM    5  C   UNL     1       3.107   3.677  -0.854  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.691  -4.449  -0.819  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.593  -2.685   0.811  1.00  0.00           C  
HETATM    8  C   UNL     1       2.470   3.205  -1.986  1.00  0.00           C  
HETATM    9  C   UNL     1       4.020  -0.638   0.815  1.00  0.00           C  
HETATM   10  C   UNL     1       3.592  -1.910   0.443  1.00  0.00           C  
HETATM   11  C   UNL     1       2.348  -2.101  -0.115  1.00  0.00           C  
HETATM   12  C   UNL     1       1.493  -0.996  -0.312  1.00  0.00           C  
HETATM   13  C   UNL     1       1.928   0.298   0.066  1.00  0.00           C  
HETATM   14  C   UNL     1       3.209   0.460   0.635  1.00  0.00           C  
HETATM   15  C   UNL     1       0.219  -1.156  -0.879  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.579  -0.068  -1.062  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.154   1.204  -0.684  1.00  0.00           C  
HETATM   18  C   UNL     1       2.263  -3.906  -1.813  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.353  -4.717  -0.605  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.315  -3.429  -0.113  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.255  -2.957   1.020  1.00  0.00           C  
HETATM   22  C   UNL     1       1.468   3.951  -2.578  1.00  0.00           C  
HETATM   23  C   UNL     1       1.103   5.174  -2.034  1.00  0.00           C  
HETATM   24  C   UNL     1       1.744   5.645  -0.898  1.00  0.00           C  
HETATM   25  C   UNL     1       2.745   4.895  -0.310  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.205   7.159  -2.001  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.124  -1.890  -0.242  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.601  -1.609  -0.350  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.495   0.320   1.110  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.676   1.839   1.164  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.404   1.693  -0.524  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.223   0.174  -0.579  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.298   3.622   0.936  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.706   4.132   2.252  1.00  0.00           C  
HETATM   35  C   UNL     1       3.630  -4.540  -1.779  1.00  0.00           C  
HETATM   36  C   UNL     1       4.603   1.663   3.246  1.00  0.00           C  
HETATM   37  N   UNL     1       3.653   1.730   1.014  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.671  -3.156  -0.327  1.00  0.00           N  
HETATM   39  N   UNL     1      -6.835  -0.163  -0.236  1.00  0.00           N  
HETATM   40  N   UNL     1      -8.064   2.176   0.821  1.00  0.00           N  
HETATM   41  N   UNL     1       4.191  -4.991  -2.918  1.00  0.00           N  
HETATM   42  N   UNL     1       4.589   1.859   4.579  1.00  0.00           N  
HETATM   43  O   UNL     1       4.899   1.871  -1.111  1.00  0.00           O  
HETATM   44  O   UNL     1       1.275  -5.665   0.190  1.00  0.00           O  
HETATM   45  O   UNL     1       1.379  -3.826   1.880  1.00  0.00           O  
HETATM   46  O   UNL     1       5.182   3.631   0.640  1.00  0.00           O  
HETATM   47  O   UNL     1       0.118   5.910  -2.615  1.00  0.00           O  
HETATM   48  O   UNL     1      -4.344  -0.975  -0.079  1.00  0.00           O  
HETATM   49  O   UNL     1       4.225  -4.642  -0.728  1.00  0.00           O  
HETATM   50  O   UNL     1       5.525   1.066   2.731  1.00  0.00           O  
HETATM   51  S   UNL     1       1.072  -4.314   0.581  1.00  0.00           S  
HETATM   52  S   UNL     1       4.379   2.720  -0.098  1.00  0.00           S  
HETATM   53  H   UNL     1       1.393   2.387   0.156  1.00  0.00           H  
HETATM   54  H   UNL     1       2.526   1.814   2.781  1.00  0.00           H  
HETATM   55  H   UNL     1       3.476   3.276   2.421  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.251  -5.032  -1.535  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.076  -1.894   1.364  1.00  0.00           H  
HETATM   58  H   UNL     1       2.755   2.253  -2.409  1.00  0.00           H  
HETATM   59  H   UNL     1       5.000  -0.511   1.251  1.00  0.00           H  
HETATM   60  H   UNL     1       4.245  -2.757   0.594  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.126  -2.137  -1.173  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.559  -0.193  -1.498  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.809   2.050  -0.831  1.00  0.00           H  
HETATM   64  H   UNL     1       1.523  -4.653  -2.103  1.00  0.00           H  
HETATM   65  H   UNL     1       2.258  -3.090  -2.535  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.867  -5.510  -1.154  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.693  -2.379   1.738  1.00  0.00           H  
HETATM   68  H   UNL     1       0.971   3.582  -3.463  1.00  0.00           H  
HETATM   69  H   UNL     1       1.462   6.597  -0.473  1.00  0.00           H  
HETATM   70  H   UNL     1       3.242   5.260   0.577  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.005   7.643  -2.562  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.534   6.986  -0.976  1.00  0.00           H  
HETATM   73  H   UNL     1       0.676   7.800  -1.996  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.968  -1.961  -1.315  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.129  -2.127   0.450  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.459   0.069   1.336  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.453   2.196   2.170  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.748   2.164  -1.256  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.899  -0.298   0.134  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.370   3.819   0.920  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.822   4.135   0.101  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.879   5.205   2.337  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.183   3.619   3.087  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.634   3.934   2.268  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.284  -3.878  -0.537  1.00  0.00           H  
HETATM   86  H   UNL     1       3.715  -4.909  -3.760  1.00  0.00           H  
HETATM   87  H   UNL     1       5.071  -5.399  -2.897  1.00  0.00           H  
HETATM   88  H   UNL     1       3.852   2.336   4.991  1.00  0.00           H  
HETATM   89  H   UNL     1       5.315   1.522   5.127  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.000   2.311   0.452  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.151  -0.151   1.842  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.441   1.944  -0.750  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.447  -0.183  -1.584  1.00  0.00           H  
CONECT    1   13   13   17   53                                       
CONECT    2   51   11   18                                            
CONECT    3   37   36   54   55                                       
CONECT    4   21   21   19   51                                       
CONECT    5    8    8   25   52                                       
CONECT    6   20   19   19   56                                       
CONECT    7   20   20   21   57                                       
CONECT    8   22    5    5   58                                       
CONECT    9   10   14   14   59                                       
CONECT   10   11   11    9   60                                       
CONECT   11    2   10   10   12                                       
CONECT   12   11   15   15   13                                       
CONECT   13   12   14    1    1                                       
CONECT   14    9    9   13   37                                       
CONECT   15   12   12   16   61                                       
CONECT   16   15   17   17   62                                       
CONECT   17   16   16    1   63                                       
CONECT   18    2   35   64   65                                       
CONECT   19    6    6    4   66                                       
CONECT   20   38    7    7    6                                       
CONECT   21    7    4    4   67                                       
CONECT   22   23   23    8   68                                       
CONECT   23   47   22   22   24                                       
CONECT   24   23   25   25   69                                       
CONECT   25   24   24    5   70                                       
CONECT   26   47   71   72   73                                       
CONECT   27   28   38   48   48                                       
CONECT   28   39   27   74   75                                       
CONECT   29   30   39   76   91                                       
CONECT   30   40   29   77   90                                       
CONECT   31   40   32   78   92                                       
CONECT   32   31   39   79   93                                       
CONECT   33   34   40   80   81                                       
CONECT   34   33   82   83   84                                       
CONECT   35   41   18   49   49                                       
CONECT   36    3   42   50   50                                       
CONECT   37   52   14    3                                            
CONECT   38   27   20   85                                            
CONECT   39   32   29   28                                            
CONECT   40   33   31   30                                            
CONECT   41   35   86   87                                            
CONECT   42   36   88   89                                            
CONECT   43   52   52                                                 
CONECT   44   51   51                                                 
CONECT   45   51   51                                                 
CONECT   46   52   52                                                 
CONECT   47   26   23                                                 
CONECT   48   27   27                                                 
CONECT   49   35   35                                                 
CONECT   50   36   36                                                 
CONECT   51    4   44   44   45                                       
CONECT   51   45    2                                                 
CONECT   52    5   46   46   43                                       
CONECT   52   43   37                                                 
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   38                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   30                                                      
CONECT   91   29                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
