COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.763   5.667   7.546  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.073   5.375   6.295  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.331   6.483   5.276  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.607   6.200   3.957  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.894   7.292   2.919  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.158   7.045   1.596  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.479   8.090   0.623  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.585   5.728   0.969  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.688   5.224   1.155  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.585   5.136   0.130  1.00  0.00           N  
HETATM   11  S   UNL     1      -0.781   3.654  -0.709  1.00  0.00           S  
HETATM   12  O   UNL     1       0.127   3.669  -1.841  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.201   3.432  -0.913  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.238   2.541   0.360  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.881   2.428   1.621  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.199   1.333   2.429  1.00  0.00           C  
HETATM   17  O   UNL     1       1.179   1.716   2.644  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.816   1.144   3.811  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.579  -0.197   4.241  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.001   2.098   4.662  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.013   1.764   6.035  1.00  0.00           O  
HETATM   22  C   UNL     1       1.384   1.940   4.052  1.00  0.00           C  
HETATM   23  N   UNL     1       2.255   3.097   4.246  1.00  0.00           N  
HETATM   24  C   UNL     1       2.314   4.207   3.444  1.00  0.00           C  
HETATM   25  N   UNL     1       3.197   5.084   3.873  1.00  0.00           N  
HETATM   26  C   UNL     1       3.736   4.519   5.001  1.00  0.00           C  
HETATM   27  C   UNL     1       3.163   3.282   5.251  1.00  0.00           C  
HETATM   28  N   UNL     1       3.443   2.448   6.263  1.00  0.00           N  
HETATM   29  C   UNL     1       4.398   2.975   7.060  1.00  0.00           C  
HETATM   30  N   UNL     1       5.043   4.161   6.942  1.00  0.00           N  
HETATM   31  C   UNL     1       4.710   4.953   5.894  1.00  0.00           C  
HETATM   32  N   UNL     1       5.344   6.195   5.717  1.00  0.00           N  
HETATM   33  H   UNL     1      -2.477   5.178   8.367  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.616   6.183   7.504  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.429   4.415   5.907  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.998   5.280   6.487  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.992   7.446   5.678  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.409   6.572   5.089  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.529   6.136   4.144  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.927   5.228   3.564  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.975   7.325   2.732  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.613   8.267   3.337  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.074   7.054   1.759  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.437   8.330   0.497  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.766   8.370  -0.012  1.00  0.00           H  
HETATM   46  H   UNL     1       0.308   5.633   0.024  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.810   3.389   2.140  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.935   2.186   1.458  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.198   0.404   1.850  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.893   1.322   3.856  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.576  -0.744   3.441  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.369   3.124   4.543  1.00  0.00           H  
HETATM   53  H   UNL     1       0.470   2.465   6.507  1.00  0.00           H  
HETATM   54  H   UNL     1       1.934   1.090   4.471  1.00  0.00           H  
HETATM   55  H   UNL     1       1.691   4.319   2.567  1.00  0.00           H  
HETATM   56  H   UNL     1       4.690   2.366   7.909  1.00  0.00           H  
HETATM   57  H   UNL     1       5.438   6.573   4.794  1.00  0.00           H  
HETATM   58  H   UNL     1       5.777   6.643   6.502  1.00  0.00           H  
CONECT    1    2   33   34                                            
CONECT    2    1    3   35   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    8    7   43                                       
CONECT    7    6   44   45                                            
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   46                                            
CONECT   11   10   12   12   14                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   47   48                                       
CONECT   16   15   17   18   49                                       
CONECT   17   16   22                                                 
CONECT   18   16   20   19   50                                       
CONECT   19   18   51                                                 
CONECT   20   18   22   21   52                                       
CONECT   21   20   53                                                 
CONECT   22   17   20   23   54                                       
CONECT   23   22   27   24                                            
CONECT   24   23   25   25   55                                       
CONECT   25   24   24   26                                            
CONECT   26   25   31   27   27                                       
CONECT   27   23   26   26   28                                       
CONECT   28   27   29   29                                            
CONECT   29   28   28   30   56                                       
CONECT   30   29   31   31                                            
CONECT   31   26   30   30   32                                       
CONECT   32   31   57   58                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
