COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.782   1.292  -0.488  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.704  -1.053  -1.504  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.881  -0.160  -1.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.990  -0.873   0.695  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.259   0.082   1.657  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.544  -0.305   2.954  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.304  -2.602   2.322  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.012  -2.215   1.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.956   1.251  -0.866  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.097   2.193   0.442  1.00  0.00           C  
HETATM   11  O   UNL     1       9.669  -3.459   0.409  1.00  0.00           O  
HETATM   12  P   UNL     1       8.193  -3.321  -0.219  1.00  0.00           P  
HETATM   13  O   UNL     1       8.143  -4.074  -1.642  1.00  0.00           O  
HETATM   14  O   UNL     1       7.207  -3.935   0.698  1.00  0.00           O  
HETATM   15  O   UNL     1       7.840  -1.764  -0.423  1.00  0.00           O  
HETATM   16  C   UNL     1       7.700  -0.849   0.666  1.00  0.00           C  
HETATM   17  C   UNL     1       7.364   0.542   0.123  1.00  0.00           C  
HETATM   18  O   UNL     1       6.039   0.558  -0.449  1.00  0.00           O  
HETATM   19  C   UNL     1       7.276   1.572   1.278  1.00  0.00           C  
HETATM   20  O   UNL     1       8.565   2.109   1.582  1.00  0.00           O  
HETATM   21  C   UNL     1       6.353   2.658   0.675  1.00  0.00           C  
HETATM   22  O   UNL     1       7.127   3.738   0.150  1.00  0.00           O  
HETATM   23  C   UNL     1       5.604   1.928  -0.463  1.00  0.00           C  
HETATM   24  C   UNL     1       4.118   1.997  -0.227  1.00  0.00           C  
HETATM   25  C   UNL     1       3.350   2.917  -0.917  1.00  0.00           C  
HETATM   26  C   UNL     1       1.987   2.980  -0.701  1.00  0.00           C  
HETATM   27  C   UNL     1       3.520   1.135   0.674  1.00  0.00           C  
HETATM   28  C   UNL     1       2.156   1.199   0.891  1.00  0.00           C  
HETATM   29  C   UNL     1       1.390   2.123   0.206  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.126   1.192  -0.463  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.769   1.850   0.331  1.00  0.00           O  
HETATM   32  N   UNL     1      -2.756   0.363  -1.319  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.141   0.187  -1.230  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.324   1.076  -0.790  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.072  -1.222  -1.420  1.00  0.00           C  
HETATM   36  S   UNL     1      -8.626  -0.380  -0.957  1.00  0.00           S  
HETATM   37  O   UNL     1      -9.205   0.906  -1.129  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.941  -1.491  -1.786  1.00  0.00           O  
HETATM   39  C   UNL     1      -9.560  -1.646   3.287  1.00  0.00           C  
HETATM   40  H   UNL     1      -0.268   0.770  -1.124  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.072  -1.882  -1.787  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.246   1.130   1.397  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.754   0.441   3.706  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.321  -3.650   2.581  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.812  -2.961   0.272  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.522   2.216  -0.652  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.443   3.214   0.281  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.316   1.893   1.467  1.00  0.00           H  
HETATM   49  H   UNL     1      10.368  -3.078  -0.140  1.00  0.00           H  
HETATM   50  H   UNL     1       8.346  -5.018  -1.595  1.00  0.00           H  
HETATM   51  H   UNL     1       6.898  -1.186   1.323  1.00  0.00           H  
HETATM   52  H   UNL     1       8.634  -0.805   1.226  1.00  0.00           H  
HETATM   53  H   UNL     1       8.104   0.854  -0.613  1.00  0.00           H  
HETATM   54  H   UNL     1       6.825   1.125   2.164  1.00  0.00           H  
HETATM   55  H   UNL     1       8.561   2.759   2.298  1.00  0.00           H  
HETATM   56  H   UNL     1       5.651   3.022   1.425  1.00  0.00           H  
HETATM   57  H   UNL     1       7.664   4.195   0.811  1.00  0.00           H  
HETATM   58  H   UNL     1       5.852   2.386  -1.421  1.00  0.00           H  
HETATM   59  H   UNL     1       3.816   3.586  -1.625  1.00  0.00           H  
HETATM   60  H   UNL     1       1.387   3.699  -1.239  1.00  0.00           H  
HETATM   61  H   UNL     1       4.119   0.414   1.209  1.00  0.00           H  
HETATM   62  H   UNL     1       1.690   0.527   1.596  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.249  -0.111  -1.997  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.959   1.904  -0.512  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.510  -2.186  -1.633  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.788  -1.949   4.299  1.00  0.00           H  
CONECT    1   30   10   40                                            
CONECT    2   35   33   33   41                                       
CONECT    3   36   35   35   34                                       
CONECT    4    8    8    5   36                                       
CONECT    5    6    6    4   42                                       
CONECT    6   39    5    5   43                                       
CONECT    7   39   39    8   44                                       
CONECT    8    7    4    4   45                                       
CONECT    9   34   34   33   46                                       
CONECT   10    1   29   47   48                                       
CONECT   11   12   49                                                 
CONECT   12   15   14   14   11                                       
CONECT   12   13                                                      
CONECT   13   12   50                                                 
CONECT   14   12   12                                                 
CONECT   15   16   12                                                 
CONECT   16   17   15   51   52                                       
CONECT   17   18   19   16   53                                       
CONECT   18   23   17                                                 
CONECT   19   21   17   20   54                                       
CONECT   20   19   55                                                 
CONECT   21   23   22   19   56                                       
CONECT   22   21   57                                                 
CONECT   23   24   18   21   58                                       
CONECT   24   25   25   27   23                                       
CONECT   25   26   24   24   59                                       
CONECT   26   29   29   25   60                                       
CONECT   27   28   28   24   61                                       
CONECT   28   29   27   27   62                                       
CONECT   29   10   26   26   28                                       
CONECT   30   32   31   31    1                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   63                                            
CONECT   33    2    2    9   32                                       
CONECT   34    3    9    9   64                                       
CONECT   35    3    3    2   65                                       
CONECT   36    4   38   38   37                                       
CONECT   36   37    3                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39    7    7    6   66                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
