COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.402  -4.296   1.642  1.00  0.00           N  
HETATM    2  C   UNL     1       2.568  -5.261   1.314  1.00  0.00           C  
HETATM    3  C   UNL     1       2.461  -6.472   2.205  1.00  0.00           C  
HETATM    4  N   UNL     1       1.823  -5.197   0.229  1.00  0.00           N  
HETATM    5  C   UNL     1       1.891  -4.144  -0.580  1.00  0.00           C  
HETATM    6  N   UNL     1       1.106  -4.079  -1.719  1.00  0.00           N  
HETATM    7  C   UNL     1       2.766  -3.103  -0.261  1.00  0.00           C  
HETATM    8  C   UNL     1       3.526  -3.214   0.886  1.00  0.00           C  
HETATM    9  C   UNL     1       2.877  -1.889  -1.147  1.00  0.00           C  
HETATM   10  N   UNL     1       2.041  -0.813  -0.609  1.00  0.00           N  
HETATM   11  C   UNL     1       2.491   0.079   0.474  1.00  0.00           C  
HETATM   12  S   UNL     1       1.045   1.184   0.688  1.00  0.00           S  
HETATM   13  C   UNL     1       0.049   0.428  -0.574  1.00  0.00           C  
HETATM   14  C   UNL     1       0.773  -0.550  -1.077  1.00  0.00           C  
HETATM   15  C   UNL     1       0.205  -1.394  -2.189  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.344   0.826  -0.987  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.362   0.148  -0.067  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.683   0.526  -0.458  1.00  0.00           O  
HETATM   19  P   UNL     1      -5.005  -0.003   0.294  1.00  0.00           P  
HETATM   20  O   UNL     1      -5.135  -1.595   0.094  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.909   0.307   1.738  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.301   0.724  -0.325  1.00  0.00           O  
HETATM   23  P   UNL     1      -7.805   0.966   0.199  1.00  0.00           P  
HETATM   24  O   UNL     1      -8.287  -0.249   0.892  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.823   2.210   1.220  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.764   1.286  -1.054  1.00  0.00           O  
HETATM   27  C   UNL     1       3.729   0.871   0.048  1.00  0.00           C  
HETATM   28  P   UNL     1       3.394   1.721  -1.529  1.00  0.00           P  
HETATM   29  O   UNL     1       4.603   2.460  -1.958  1.00  0.00           O  
HETATM   30  O   UNL     1       3.002   0.636  -2.651  1.00  0.00           O  
HETATM   31  O   UNL     1       2.175   2.755  -1.333  1.00  0.00           O  
HETATM   32  C   UNL     1       4.067   1.905   1.124  1.00  0.00           C  
HETATM   33  O   UNL     1       4.832  -0.022  -0.117  1.00  0.00           O  
HETATM   34  C   UNL     1       5.227   2.780   0.643  1.00  0.00           C  
HETATM   35  C   UNL     1       5.561   3.798   1.703  1.00  0.00           C  
HETATM   36  O   UNL     1       6.553   4.679   1.498  1.00  0.00           O  
HETATM   37  O   UNL     1       4.934   3.823   2.736  1.00  0.00           O  
HETATM   38  H   UNL     1       1.691  -6.303   2.957  1.00  0.00           H  
HETATM   39  H   UNL     1       2.198  -7.343   1.605  1.00  0.00           H  
HETATM   40  H   UNL     1       3.418  -6.646   2.697  1.00  0.00           H  
HETATM   41  H   UNL     1       0.284  -4.593  -1.772  1.00  0.00           H  
HETATM   42  H   UNL     1       1.377  -3.521  -2.464  1.00  0.00           H  
HETATM   43  H   UNL     1       4.214  -2.429   1.164  1.00  0.00           H  
HETATM   44  H   UNL     1       3.915  -1.559  -1.183  1.00  0.00           H  
HETATM   45  H   UNL     1       2.541  -2.141  -2.153  1.00  0.00           H  
HETATM   46  H   UNL     1       2.687  -0.485   1.386  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.323  -2.247  -1.764  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.488  -0.796  -2.781  1.00  0.00           H  
HETATM   49  H   UNL     1       1.015  -1.748  -2.826  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.450   1.908  -0.911  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.521   0.515  -2.016  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.256  -0.934  -0.143  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.184   0.459   0.963  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.203  -1.871  -0.830  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.518   3.042   0.833  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.687   1.443  -0.812  1.00  0.00           H  
HETATM   57  H   UNL     1       2.161   0.187  -2.488  1.00  0.00           H  
HETATM   58  H   UNL     1       1.942   3.244  -2.134  1.00  0.00           H  
HETATM   59  H   UNL     1       3.195   2.531   1.313  1.00  0.00           H  
HETATM   60  H   UNL     1       4.354   1.394   2.043  1.00  0.00           H  
HETATM   61  H   UNL     1       5.121  -0.447   0.703  1.00  0.00           H  
HETATM   62  H   UNL     1       6.100   2.154   0.454  1.00  0.00           H  
HETATM   63  H   UNL     1       4.941   3.291  -0.275  1.00  0.00           H  
HETATM   64  H   UNL     1       6.730   5.313   2.207  1.00  0.00           H  
CONECT    1    2    2    8                                            
CONECT    2    4    3    1    1                                       
CONECT    3    2   38   39   40                                       
CONECT    4    5    5    2                                            
CONECT    5    6    4    4    7                                       
CONECT    6    5   41   42                                            
CONECT    7    5    9    8    8                                       
CONECT    8    7    7    1   43                                       
CONECT    9   10    7   44   45                                       
CONECT   10   11   14    9                                            
CONECT   11   12   27   10   46                                       
CONECT   12   11   13                                                 
CONECT   13   12   16   14   14                                       
CONECT   14   13   13   10   15                                       
CONECT   15   14   47   48   49                                       
CONECT   16   17   13   50   51                                       
CONECT   17   18   16   52   53                                       
CONECT   18   19   17                                                 
CONECT   19   22   21   21   20                                       
CONECT   19   18                                                      
CONECT   20   19   54                                                 
CONECT   21   19   19                                                 
CONECT   22   23   19                                                 
CONECT   23   24   24   22   26                                       
CONECT   23   25                                                      
CONECT   24   23   23                                                 
CONECT   25   23   55                                                 
CONECT   26   23   56                                                 
CONECT   27   32   33   11   28                                       
CONECT   28   27   29   29   31                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   57                                                 
CONECT   31   28   58                                                 
CONECT   32   34   27   59   60                                       
CONECT   33   27   61                                                 
CONECT   34   35   32   62   63                                       
CONECT   35   37   37   34   36                                       
CONECT   36   35   64                                                 
CONECT   37   35   35                                                 
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
