COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      59.282  13.586 -16.175  1.00  0.00           O  
HETATM    2  C   UNL     1      58.451  12.789 -16.577  1.00  0.00           C  
HETATM    3  N   UNL     1      57.165  12.887 -16.239  1.00  0.00           N  
HETATM    4  C   UNL     1      58.884  11.665 -17.470  1.00  0.00           C  
HETATM    5  C   UNL     1      58.526  10.365 -17.138  1.00  0.00           C  
HETATM    6  C   UNL     1      59.692  11.955 -18.716  1.00  0.00           C  
HETATM    7  C   UNL     1      60.019  10.741 -19.455  1.00  0.00           C  
HETATM    8  C   UNL     1      59.604   9.485 -19.022  1.00  0.00           C  
HETATM    9  N   UNL     1      58.886   9.321 -17.899  1.00  0.00           N  
HETATM   10  C   UNL     1      58.488   7.965 -17.498  1.00  0.00           C  
HETATM   11  O   UNL     1      57.067   7.850 -17.401  1.00  0.00           O  
HETATM   12  C   UNL     1      59.053   7.593 -16.129  1.00  0.00           C  
HETATM   13  O   UNL     1      60.179   6.719 -16.260  1.00  0.00           O  
HETATM   14  C   UNL     1      57.903   6.936 -15.384  1.00  0.00           C  
HETATM   15  O   UNL     1      58.234   5.608 -14.968  1.00  0.00           O  
HETATM   16  C   UNL     1      56.736   6.922 -16.364  1.00  0.00           C  
HETATM   17  C   UNL     1      55.407   7.287 -15.710  1.00  0.00           C  
HETATM   18  O   UNL     1      55.461   8.608 -15.176  1.00  0.00           O  
HETATM   19  P   UNL     1      54.284   9.158 -14.224  1.00  0.00           P  
HETATM   20  O   UNL     1      54.829  10.297 -13.395  1.00  0.00           O  
HETATM   21  O   UNL     1      53.140   9.627 -15.090  1.00  0.00           O  
HETATM   22  O   UNL     1      53.766   7.984 -13.244  1.00  0.00           O  
HETATM   23  P   UNL     1      52.662   8.241 -12.094  1.00  0.00           P  
HETATM   24  O   UNL     1      53.132   7.603 -10.810  1.00  0.00           O  
HETATM   25  O   UNL     1      52.458   9.724 -11.884  1.00  0.00           O  
HETATM   26  O   UNL     1      51.255   7.587 -12.528  1.00  0.00           O  
HETATM   27  C   UNL     1      51.021   6.182 -12.450  1.00  0.00           C  
HETATM   28  C   UNL     1      49.521   5.914 -12.515  1.00  0.00           C  
HETATM   29  C   UNL     1      48.807   6.372 -11.251  1.00  0.00           C  
HETATM   30  O   UNL     1      47.696   7.211 -11.586  1.00  0.00           O  
HETATM   31  C   UNL     1      48.363   5.103 -10.542  1.00  0.00           C  
HETATM   32  O   UNL     1      46.961   5.122 -10.251  1.00  0.00           O  
HETATM   33  C   UNL     1      48.702   3.951 -11.479  1.00  0.00           C  
HETATM   34  O   UNL     1      49.283   4.511 -12.660  1.00  0.00           O  
HETATM   35  O   UNL     1      49.629   3.055 -10.855  1.00  0.00           O  
HETATM   36  H   UNL     1      56.860  13.628 -15.641  1.00  0.00           H  
HETATM   37  H   UNL     1      56.505  12.219 -16.583  1.00  0.00           H  
HETATM   38  H   UNL     1      57.944  10.190 -16.245  1.00  0.00           H  
HETATM   39  H   UNL     1      60.627  12.455 -18.423  1.00  0.00           H  
HETATM   40  H   UNL     1      60.599  10.819 -20.363  1.00  0.00           H  
HETATM   41  H   UNL     1      59.867   8.616 -19.607  1.00  0.00           H  
HETATM   42  H   UNL     1      58.868   7.245 -18.237  1.00  0.00           H  
HETATM   43  H   UNL     1      59.344   8.513 -15.601  1.00  0.00           H  
HETATM   44  H   UNL     1      60.513   6.501 -15.398  1.00  0.00           H  
HETATM   45  H   UNL     1      57.636   7.555 -14.515  1.00  0.00           H  
HETATM   46  H   UNL     1      58.962   5.639 -14.359  1.00  0.00           H  
HETATM   47  H   UNL     1      56.649   5.910 -16.786  1.00  0.00           H  
HETATM   48  H   UNL     1      54.606   7.233 -16.462  1.00  0.00           H  
HETATM   49  H   UNL     1      55.196   6.576 -14.898  1.00  0.00           H  
HETATM   50  H   UNL     1      54.340  11.089 -13.584  1.00  0.00           H  
HETATM   51  H   UNL     1      53.203   8.266 -10.134  1.00  0.00           H  
HETATM   52  H   UNL     1      51.520   5.679 -13.291  1.00  0.00           H  
HETATM   53  H   UNL     1      51.422   5.795 -11.502  1.00  0.00           H  
HETATM   54  H   UNL     1      49.102   6.458 -13.375  1.00  0.00           H  
HETATM   55  H   UNL     1      49.518   6.914 -10.611  1.00  0.00           H  
HETATM   56  H   UNL     1      47.258   7.491 -10.790  1.00  0.00           H  
HETATM   57  H   UNL     1      48.942   4.990  -9.614  1.00  0.00           H  
HETATM   58  H   UNL     1      46.768   5.846  -9.666  1.00  0.00           H  
HETATM   59  H   UNL     1      47.775   3.416 -11.732  1.00  0.00           H  
HETATM   60  H   UNL     1      49.236   2.687 -10.072  1.00  0.00           H  
HETATM   61  H   UNL     1      59.109  12.621 -19.369  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    2   36   37                                            
CONECT    4    6    5    5    2                                       
CONECT    5    9    4    4   38                                       
CONECT    6    7    4   39   61                                       
CONECT    7    8    8    6   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10    5                                            
CONECT   10    9   11   12   42                                       
CONECT   11   10   16                                                 
CONECT   12   10   13   14   43                                       
CONECT   13   12   44                                                 
CONECT   14   16   12   15   45                                       
CONECT   15   14   46                                                 
CONECT   16   11   17   14   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   17   19                                                 
CONECT   19   18   21   21   20                                       
CONECT   19   22                                                      
CONECT   20   19   50                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   26   25   25                                       
CONECT   23   24                                                      
CONECT   24   23   51                                                 
CONECT   25   23   23                                                 
CONECT   26   27   23                                                 
CONECT   27   26   28   52   53                                       
CONECT   28   34   27   29   54                                       
CONECT   29   28   30   31   55                                       
CONECT   30   29   56                                                 
CONECT   31   33   29   32   57                                       
CONECT   32   31   58                                                 
CONECT   33   34   35   31   59                                       
CONECT   34   28   33                                                 
CONECT   35   33   60                                                 
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   24                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   35                                                      
CONECT   61    6                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
