COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.917   1.020  -3.161  1.00  0.00           C  
HETATM    2  C   UNL     1       1.553  -0.197  -3.293  1.00  0.00           C  
HETATM    3  C   UNL     1       0.042   1.456  -4.140  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.204   0.673  -5.253  1.00  0.00           C  
HETATM    5  C   UNL     1       0.420  -0.549  -5.393  1.00  0.00           C  
HETATM    6  C   UNL     1       1.303  -0.994  -4.410  1.00  0.00           C  
HETATM    7  C   UNL     1       1.977  -2.304  -4.554  1.00  0.00           C  
HETATM    8  N   UNL     1       1.732  -3.087  -5.661  1.00  0.00           N  
HETATM    9  N   UNL     1       2.801  -2.718  -3.633  1.00  0.00           N  
HETATM   10  C   UNL     1       1.181   1.879  -1.952  1.00  0.00           C  
HETATM   11  C   UNL     1       0.177   1.531  -0.850  1.00  0.00           C  
HETATM   12  C   UNL     1       0.520   2.297   0.401  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.052   3.335   0.653  1.00  0.00           O  
HETATM   14  N   UNL     1       1.464   1.827   1.241  1.00  0.00           N  
HETATM   15  C   UNL     1       1.766   2.531   2.495  1.00  0.00           C  
HETATM   16  C   UNL     1       1.614   1.544   3.659  1.00  0.00           C  
HETATM   17  C   UNL     1       2.061  -0.381   2.080  1.00  0.00           C  
HETATM   18  C   UNL     1       2.209   0.602   0.918  1.00  0.00           C  
HETATM   19  N   UNL     1       2.359   0.319   3.337  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.172   1.892  -1.289  1.00  0.00           N  
HETATM   21  S   UNL     1      -2.345   0.728  -1.402  1.00  0.00           S  
HETATM   22  O   UNL     1      -3.553   1.423  -1.676  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.788  -0.302  -2.206  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.548   0.028   0.201  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.476   0.584   1.080  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.658   0.068   2.326  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.958  -1.609   1.841  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.901  -1.043   2.736  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.802  -1.051   0.561  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.061  -1.604   4.014  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.311  -2.681   4.375  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.384  -3.237   3.496  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.201  -2.720   2.250  1.00  0.00           C  
HETATM   34  C   UNL     1       3.303  -0.150   4.177  1.00  0.00           C  
HETATM   35  O   UNL     1       3.544   0.439   5.209  1.00  0.00           O  
HETATM   36  C   UNL     1       4.059  -1.407   3.833  1.00  0.00           C  
HETATM   37  H   UNL     1       2.236  -0.536  -2.528  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.449   2.412  -4.035  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.888   1.019  -6.015  1.00  0.00           H  
HETATM   40  H   UNL     1       0.226  -1.159  -6.263  1.00  0.00           H  
HETATM   41  H   UNL     1       2.173  -3.946  -5.755  1.00  0.00           H  
HETATM   42  H   UNL     1       1.118  -2.779  -6.346  1.00  0.00           H  
HETATM   43  H   UNL     1       3.242  -3.576  -3.728  1.00  0.00           H  
HETATM   44  H   UNL     1       1.074   2.930  -2.222  1.00  0.00           H  
HETATM   45  H   UNL     1       2.193   1.698  -1.591  1.00  0.00           H  
HETATM   46  H   UNL     1       0.219   0.462  -0.645  1.00  0.00           H  
HETATM   47  H   UNL     1       1.071   3.361   2.625  1.00  0.00           H  
HETATM   48  H   UNL     1       2.789   2.908   2.466  1.00  0.00           H  
HETATM   49  H   UNL     1       0.560   1.305   3.800  1.00  0.00           H  
HETATM   50  H   UNL     1       2.016   1.988   4.570  1.00  0.00           H  
HETATM   51  H   UNL     1       2.756  -1.210   1.948  1.00  0.00           H  
HETATM   52  H   UNL     1       1.039  -0.758   2.111  1.00  0.00           H  
HETATM   53  H   UNL     1       1.807   0.158   0.008  1.00  0.00           H  
HETATM   54  H   UNL     1       3.263   0.842   0.777  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.380   2.813  -1.513  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.058   1.438   0.768  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.380   0.510   2.997  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.090  -1.474  -0.132  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.776  -1.183   4.706  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.436  -3.110   5.358  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.801  -4.091   3.808  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.479  -3.161   1.580  1.00  0.00           H  
HETATM   63  H   UNL     1       4.775  -1.629   4.625  1.00  0.00           H  
HETATM   64  H   UNL     1       3.359  -2.236   3.734  1.00  0.00           H  
HETATM   65  H   UNL     1       4.591  -1.266   2.892  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1    6   37                                       
CONECT    3    1    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   41   42                                            
CONECT    9    7    7   43                                            
CONECT   10    1   11   44   45                                       
CONECT   11   10   12   20   46                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   18                                            
CONECT   15   14   16   47   48                                       
CONECT   16   15   19   49   50                                       
CONECT   17   18   19   51   52                                       
CONECT   18   14   17   53   54                                       
CONECT   19   16   17   34                                            
CONECT   20   11   21   55                                            
CONECT   21   20   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   25   29                                       
CONECT   25   24   24   26   56                                       
CONECT   26   25   28   28   57                                       
CONECT   27   28   29   29   33                                       
CONECT   28   26   26   27   30                                       
CONECT   29   24   27   27   58                                       
CONECT   30   28   31   31   59                                       
CONECT   31   30   30   32   60                                       
CONECT   32   31   33   33   61                                       
CONECT   33   27   32   32   62                                       
CONECT   34   19   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   63   64   65                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
