COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.724  -0.402   1.590  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.922  -1.540   0.623  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.823  -1.435  -0.419  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.970  -2.457  -1.251  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.273  -3.564  -1.098  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.404  -3.708  -0.118  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.195  -2.726   0.754  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.280  -2.880   1.783  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.476  -4.698  -2.069  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.656   0.474   1.102  1.00  0.00           N1+
HETATM   11  C   UNL     1      -2.889   1.399   0.234  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.448   2.248  -0.124  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.557   1.227   1.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.417   0.354   1.535  1.00  0.00           C  
HETATM   15  C   UNL     1       0.915   1.321   1.310  1.00  0.00           C  
HETATM   16  C   UNL     1       1.696   0.424   0.348  1.00  0.00           C  
HETATM   17  O   UNL     1       3.092   0.513   0.640  1.00  0.00           O  
HETATM   18  P   UNL     1       4.213  -0.302  -0.180  1.00  0.00           P  
HETATM   19  O   UNL     1       5.675   0.137   0.330  1.00  0.00           O  
HETATM   20  P   UNL     1       7.155   0.040  -0.298  1.00  0.00           P  
HETATM   21  O   UNL     1       4.012  -1.881   0.062  1.00  0.00           O  
HETATM   22  O   UNL     1       4.083  -0.003  -1.623  1.00  0.00           O  
HETATM   23  O   UNL     1       8.247   0.166   0.878  1.00  0.00           O  
HETATM   24  O   UNL     1       7.322  -1.320  -1.013  1.00  0.00           O  
HETATM   25  O   UNL     1       7.359   1.185  -1.315  1.00  0.00           O1-
HETATM   26  C   UNL     1      -1.006  -0.678   2.553  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.235   1.690  -0.377  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.442   0.836  -1.505  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.259   1.454   0.592  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.286   3.129  -0.821  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.017   4.111   0.054  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.567   3.400  -1.964  1.00  0.00           O  
HETATM   33  H   UNL     1      -4.650   0.167   1.676  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.450  -0.799   2.568  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.400  -0.533  -0.553  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.584  -3.552   1.715  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.336  -2.316   2.570  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.785  -4.589  -2.905  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.289  -5.646  -1.565  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.501  -4.679  -2.441  1.00  0.00           H  
HETATM   41  H   UNL     1       1.245   2.353   1.193  1.00  0.00           H  
HETATM   42  H   UNL     1       1.094   0.997   2.335  1.00  0.00           H  
HETATM   43  H   UNL     1       1.365  -0.609   0.465  1.00  0.00           H  
HETATM   44  H   UNL     1       1.517   0.748  -0.677  1.00  0.00           H  
HETATM   45  H   UNL     1       4.084  -2.149   0.988  1.00  0.00           H  
HETATM   46  H   UNL     1       9.162   0.115   0.572  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.691  -1.588   2.042  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.179  -0.291   3.149  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.850  -0.902   3.206  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.782   0.943  -2.204  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.228   2.054   1.350  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.062   5.019  -0.277  1.00  0.00           H  
CONECT    1   10    2   33   34                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   35                                       
CONECT    4    5    5    3                                            
CONECT    5    6    9    4    4                                       
CONECT    6    7    7    5                                            
CONECT    7    8    6    6    2                                       
CONECT    8    7   36   37                                            
CONECT    9    5   38   39   40                                       
CONECT   10   11   11   14    1                                       
CONECT   11   12   27   10   10                                       
CONECT   12   11   13                                                 
CONECT   13   12   15   14   14                                       
CONECT   14   13   13   10   26                                       
CONECT   15   13   16   41   42                                       
CONECT   16   15   17   43   44                                       
CONECT   17   18   16                                                 
CONECT   18   19   22   22   21                                       
CONECT   18   17                                                      
CONECT   19   20   18                                                 
CONECT   20   24   24   19   23                                       
CONECT   20   25                                                      
CONECT   21   18   45                                                 
CONECT   22   18   18                                                 
CONECT   23   20   46                                                 
CONECT   24   20   20                                                 
CONECT   25   20                                                      
CONECT   26   14   47   48   49                                       
CONECT   27   28   29   11   30                                       
CONECT   28   27   50                                                 
CONECT   29   27   51                                                 
CONECT   30   27   32   32   31                                       
CONECT   31   30   52                                                 
CONECT   32   30   30                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
