COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.335   3.246  -0.164  1.00  0.00           C  
HETATM    2  C   UNL     1       4.553   1.796  -0.091  1.00  0.00           C  
HETATM    3  C   UNL     1       3.681   2.873  -0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       4.235   4.154  -0.473  1.00  0.00           C  
HETATM    5  N   UNL     1       3.760   0.676   0.012  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.284   0.528   0.361  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.129   0.725   1.735  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.094   0.285   2.596  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.229  -0.355   2.117  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.402  -0.560   0.766  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.432  -0.121  -0.130  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.314  -0.174  -1.500  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.141   0.414  -1.889  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.470   0.854  -0.812  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.138   1.557  -0.812  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.023   0.537  -0.575  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.727   1.220  -0.574  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.594   0.517  -0.383  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.646  -0.683  -0.210  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.261   1.220  -0.382  1.00  0.00           C  
HETATM   21  S   UNL     1       1.058   0.013  -0.102  1.00  0.00           S  
HETATM   22  C   UNL     1       2.462   1.077  -0.149  1.00  0.00           C  
HETATM   23  N   UNL     1       2.420   2.373  -0.342  1.00  0.00           N  
HETATM   24  N   UNL     1       3.424   5.254  -0.703  1.00  0.00           N  
HETATM   25  N   UNL     1       5.554   4.288  -0.384  1.00  0.00           N  
HETATM   26  N   UNL     1       5.860   2.026  -0.023  1.00  0.00           N  
HETATM   27  C   UNL     1       4.222  -0.695   0.248  1.00  0.00           C  
HETATM   28  O   UNL     1       3.454  -1.632  -0.538  1.00  0.00           O  
HETATM   29  C   UNL     1       3.931  -1.124   1.709  1.00  0.00           C  
HETATM   30  O   UNL     1       4.991  -0.722   2.579  1.00  0.00           O  
HETATM   31  C   UNL     1       3.870  -2.666   1.587  1.00  0.00           C  
HETATM   32  O   UNL     1       5.120  -3.247   1.965  1.00  0.00           O  
HETATM   33  C   UNL     1       3.588  -2.917   0.093  1.00  0.00           C  
HETATM   34  C   UNL     1       2.291  -3.712  -0.065  1.00  0.00           C  
HETATM   35  N   UNL     1       2.085  -4.033  -1.480  1.00  0.00           N  
HETATM   36  N   UNL     1       2.020  -5.106  -1.809  1.00  0.00           N1+
HETATM   37  N   UNL     1       1.956  -6.179  -2.138  1.00  0.00           N1-
HETATM   38  H   UNL     1       7.402   3.399  -0.104  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.249   1.222   2.115  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.974   0.438   3.659  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.983  -0.697   2.810  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.288  -1.060   0.403  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.965  -0.569  -2.101  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.803   0.508  -2.911  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.984   2.046  -1.774  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.121   2.304  -0.018  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.176   0.048   0.387  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.039  -0.210  -1.369  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.685   2.180  -0.712  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.108   1.709  -1.344  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.245   1.967   0.412  1.00  0.00           H  
HETATM   52  H   UNL     1       3.819   6.135  -0.801  1.00  0.00           H  
HETATM   53  H   UNL     1       2.463   5.143  -0.766  1.00  0.00           H  
HETATM   54  H   UNL     1       5.285  -0.784   0.026  1.00  0.00           H  
HETATM   55  H   UNL     1       2.976  -0.723   2.049  1.00  0.00           H  
HETATM   56  H   UNL     1       4.854  -0.969   3.504  1.00  0.00           H  
HETATM   57  H   UNL     1       3.063  -3.066   2.202  1.00  0.00           H  
HETATM   58  H   UNL     1       5.138  -4.212   1.908  1.00  0.00           H  
HETATM   59  H   UNL     1       4.418  -3.464  -0.354  1.00  0.00           H  
HETATM   60  H   UNL     1       2.357  -4.635   0.511  1.00  0.00           H  
HETATM   61  H   UNL     1       1.453  -3.116   0.298  1.00  0.00           H  
CONECT    1   25   26   26   38                                       
CONECT    2    3    3   26    5                                       
CONECT    3    4   23    2    2                                       
CONECT    4   24   25   25    3                                       
CONECT    5   22    2   27                                            
CONECT    6   14    7    7   11                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10   11   11    9   42                                       
CONECT   11    6   12   10   10                                       
CONECT   12   13   11   43                                            
CONECT   13   14   14   12   44                                       
CONECT   14   15    6   13   13                                       
CONECT   15   16   14   45   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   16   18   49                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   50   51                                       
CONECT   21   20   22                                                 
CONECT   22   23   23   21    5                                       
CONECT   23    3   22   22                                            
CONECT   24    4   52   53                                            
CONECT   25    4    4    1                                            
CONECT   26    1    1    2                                            
CONECT   27    5   28   29   54                                       
CONECT   28   27   33                                                 
CONECT   29   27   31   30   55                                       
CONECT   30   29   56                                                 
CONECT   31   29   33   32   57                                       
CONECT   32   31   58                                                 
CONECT   33   28   34   31   59                                       
CONECT   34   35   33   60   61                                       
CONECT   35   36   36   34                                            
CONECT   36   37   37   35   35                                       
CONECT   37   36   36                                                 
CONECT   38    1                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
