COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.101   3.703   0.298  1.00  0.00           S  
HETATM    2  N   UNL     1      -3.541   2.221  -0.294  1.00  0.00           N  
HETATM    3  C   UNL     1       6.716  -2.921   0.660  1.00  0.00           C  
HETATM    4  C   UNL     1       4.582  -2.396   0.509  1.00  0.00           C  
HETATM    5  C   UNL     1       3.460  -1.465   0.393  1.00  0.00           C  
HETATM    6  C   UNL     1       3.750  -0.099   0.333  1.00  0.00           C  
HETATM    7  C   UNL     1       5.972  -4.046   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1       6.022  -0.515   0.483  1.00  0.00           C  
HETATM    9  C   UNL     1       1.572  -0.418   0.227  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.480   1.133   0.500  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.719  -1.272   1.056  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.880  -0.216  -0.039  1.00  0.00           C  
HETATM   13  N   UNL     1       5.850  -1.865   0.551  1.00  0.00           N  
HETATM   14  N   UNL     1       5.024   0.313   0.382  1.00  0.00           N  
HETATM   15  N   UNL     1       2.119  -1.597   0.324  1.00  0.00           N  
HETATM   16  N   UNL     1       2.540   0.539   0.228  1.00  0.00           N  
HETATM   17  C   UNL     1       2.328   1.986   0.135  1.00  0.00           C  
HETATM   18  O   UNL     1       0.968   2.324   0.482  1.00  0.00           O  
HETATM   19  C   UNL     1       2.456   2.463  -1.334  1.00  0.00           C  
HETATM   20  O   UNL     1       3.819   2.741  -1.663  1.00  0.00           O  
HETATM   21  C   UNL     1       1.614   3.762  -1.328  1.00  0.00           C  
HETATM   22  O   UNL     1       2.458   4.905  -1.181  1.00  0.00           O  
HETATM   23  C   UNL     1       0.694   3.609  -0.101  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.771   3.680  -0.537  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.614   3.638   0.616  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.242   4.622  -0.776  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.771   3.853   1.543  1.00  0.00           O  
HETATM   28  N   UNL     1       4.680  -3.706   0.598  1.00  0.00           N  
HETATM   29  O   UNL     1      -3.103   1.240   1.647  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.120  -2.621   0.518  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.267  -3.548  -0.230  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.070  -4.667  -0.520  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.314  -4.424   0.018  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.323  -3.203   0.637  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.526  -5.730  -1.232  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.213  -5.676  -1.645  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.424  -4.571  -1.357  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.939  -3.515  -0.659  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.843   2.135  -1.212  1.00  0.00           H  
HETATM   40  H   UNL     1       7.793  -2.863   0.718  1.00  0.00           H  
HETATM   41  H   UNL     1       6.355  -5.053   0.767  1.00  0.00           H  
HETATM   42  H   UNL     1       7.025  -0.117   0.518  1.00  0.00           H  
HETATM   43  H   UNL     1       0.511  -0.228   0.155  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.679  -1.304   1.380  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.355  -1.016   1.904  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.921  -0.184  -0.363  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.244  -0.472  -0.887  1.00  0.00           H  
HETATM   48  H   UNL     1       3.033   2.517   0.774  1.00  0.00           H  
HETATM   49  H   UNL     1       2.034   1.729  -2.020  1.00  0.00           H  
HETATM   50  H   UNL     1       3.950   3.043  -2.572  1.00  0.00           H  
HETATM   51  H   UNL     1       1.023   3.838  -2.241  1.00  0.00           H  
HETATM   52  H   UNL     1       3.098   5.016  -1.897  1.00  0.00           H  
HETATM   53  H   UNL     1       0.906   4.397   0.622  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.944   4.610  -1.080  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.999   2.834  -1.185  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.070  -5.029  -0.031  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.174  -2.770   1.140  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.131  -6.595  -1.461  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.792  -6.503  -2.199  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.397  -4.545  -1.688  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.320  -2.658  -0.439  1.00  0.00           H  
CONECT    1   25   27   27    2                                       
CONECT    1   26   26                                                 
CONECT    2    1   10   39                                            
CONECT    3    7    7   13   40                                       
CONECT    4   28   28   13    5                                       
CONECT    5    4   15    6    6                                       
CONECT    6    5    5   14   16                                       
CONECT    7   28    3    3   41                                       
CONECT    8   13   14   14   42                                       
CONECT    9   15   15   16   43                                       
CONECT   10   29   29    2   12                                       
CONECT   11   30   12   44   45                                       
CONECT   12   11   10   46   47                                       
CONECT   13    3    4    8                                            
CONECT   14    8    8    6                                            
CONECT   15    5    9    9                                            
CONECT   16    6    9   17                                            
CONECT   17   16   19   18   48                                       
CONECT   18   17   23                                                 
CONECT   19   17   20   21   49                                       
CONECT   20   19   50                                                 
CONECT   21   19   23   22   51                                       
CONECT   22   21   52                                                 
CONECT   23   18   21   24   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   24    1                                                 
CONECT   26    1    1                                                 
CONECT   27    1    1                                                 
CONECT   28    7    4    4                                            
CONECT   29   10   10                                                 
CONECT   30   34   34   11   31                                       
CONECT   31   30   32   32   38                                       
CONECT   32   33   31   31   35                                       
CONECT   33   34   32   56                                            
CONECT   34   33   30   30   57                                       
CONECT   35   32   36   36   58                                       
CONECT   36   35   35   37   59                                       
CONECT   37   38   38   36   60                                       
CONECT   38   31   37   37   61                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   37                                                      
CONECT   61   38                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
