COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.251   0.635  -0.911  1.00  0.00           C  
HETATM    2  C   UNL     1       5.822   1.383  -0.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.927  -5.955   1.368  1.00  0.00           C  
HETATM    4  C   UNL     1       6.453  -0.880   0.138  1.00  0.00           C  
HETATM    5  C   UNL     1       6.205   1.255  -1.976  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.406  -2.362  -0.802  1.00  0.00           C  
HETATM    7  C   UNL     1       4.876   0.885  -2.679  1.00  0.00           C  
HETATM    8  C   UNL     1       8.063  -1.332   1.770  1.00  0.00           C  
HETATM    9  C   UNL     1       3.820   1.368  -1.653  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.222  -4.550  -0.724  1.00  0.00           C  
HETATM   11  C   UNL     1       8.245   0.060   1.959  1.00  0.00           C  
HETATM   12  C   UNL     1       2.508   0.601  -1.828  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.738  -4.672   0.601  1.00  0.00           C  
HETATM   14  C   UNL     1       7.508   0.924   1.229  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.109  -3.621   1.169  1.00  0.00           C  
HETATM   16  C   UNL     1       9.240   0.569   2.970  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.791   1.203   0.018  1.00  0.00           C  
HETATM   18  N   UNL     1       6.613   0.445   0.312  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.946  -2.463   0.459  1.00  0.00           N  
HETATM   20  N   UNL     1       7.167  -1.764   0.860  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.041  -3.392  -1.391  1.00  0.00           N  
HETATM   22  N   UNL     1       1.494   1.157  -0.929  1.00  0.00           N  
HETATM   23  O   UNL     1       5.649  -1.284  -0.680  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.250  -1.324  -1.415  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.027  -0.294  -1.639  1.00  0.00           O  
HETATM   26  O   UNL     1       4.742   1.587  -3.917  1.00  0.00           O  
HETATM   27  O   UNL     1       8.709  -2.130   2.424  1.00  0.00           O  
HETATM   28  O   UNL     1       4.425   1.062  -0.378  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.797  -5.483  -1.256  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.917   2.647   1.074  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.594   3.626  -0.539  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.953   4.080   1.918  1.00  0.00           O  
HETATM   33  P   UNL     1      -5.882   3.890   0.731  1.00  0.00           P  
HETATM   34  C   UNL     1      -3.264  -1.323   1.076  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.949  -1.032   0.327  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.101   0.432  -0.154  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.192   0.976   0.803  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.927   2.158   0.167  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.084  -0.147   0.970  1.00  0.00           O  
HETATM   40  H   UNL     1       5.999   2.402  -0.147  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.456  -6.676   0.745  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.953  -6.359   1.645  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.508  -5.757   2.269  1.00  0.00           H  
HETATM   44  H   UNL     1       6.587   2.203  -2.354  1.00  0.00           H  
HETATM   45  H   UNL     1       6.944   0.465  -2.113  1.00  0.00           H  
HETATM   46  H   UNL     1       4.805  -0.191  -2.835  1.00  0.00           H  
HETATM   47  H   UNL     1       3.652   2.441  -1.750  1.00  0.00           H  
HETATM   48  H   UNL     1       2.169   0.693  -2.860  1.00  0.00           H  
HETATM   49  H   UNL     1       2.668  -0.451  -1.590  1.00  0.00           H  
HETATM   50  H   UNL     1       7.634   1.989   1.360  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.736  -3.694   2.180  1.00  0.00           H  
HETATM   52  H   UNL     1       9.725  -0.275   3.460  1.00  0.00           H  
HETATM   53  H   UNL     1       9.992   1.177   2.466  1.00  0.00           H  
HETATM   54  H   UNL     1       8.724   1.174   3.715  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.448   1.111   1.048  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.954   2.254  -0.218  1.00  0.00           H  
HETATM   57  H   UNL     1       7.036  -2.715   0.725  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.371  -3.301  -2.299  1.00  0.00           H  
HETATM   59  H   UNL     1       1.716   1.900  -0.347  1.00  0.00           H  
HETATM   60  H   UNL     1       5.435   1.385  -4.561  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.569   4.813   1.778  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.054  -1.539   2.123  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.097  -1.125   1.002  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.836  -1.705  -0.523  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.439   0.468  -1.189  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.755   1.264   1.759  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.408   1.832  -0.755  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.214   2.951  -0.055  1.00  0.00           H  
HETATM   69  O   UNL     1      -5.000   5.229   0.584  1.00  0.00           O  
HETATM   70  H   UNL     1      -4.505   5.463   1.381  1.00  0.00           H  
CONECT    1   17   25   25   22                                       
CONECT    2   28   18    5   40                                       
CONECT    3   13   41   42   43                                       
CONECT    4   18   20   23   23                                       
CONECT    5    2    7   44   45                                       
CONECT    6   19   24   24   21                                       
CONECT    7    9    5   26   46                                       
CONECT    8   11   27   27   20                                       
CONECT    9   12   28    7   47                                       
CONECT   10   13   21   29   29                                       
CONECT   11   16   14   14    8                                       
CONECT   12   22    9   48   49                                       
CONECT   13   15   15    3   10                                       
CONECT   14   11   11   18   50                                       
CONECT   15   19   13   13   51                                       
CONECT   16   11   52   53   54                                       
CONECT   17   36    1   55   56                                       
CONECT   18   14    2    4                                            
CONECT   19   34   15    6                                            
CONECT   20    8    4   57                                            
CONECT   21    6   10   58                                            
CONECT   22    1   12   59                                            
CONECT   23    4    4                                                 
CONECT   24    6    6                                                 
CONECT   25    1    1                                                 
CONECT   26    7   60                                                 
CONECT   27    8    8                                                 
CONECT   28    9    2                                                 
CONECT   29   10   10                                                 
CONECT   30   38   33                                                 
CONECT   31   33   33                                                 
CONECT   32   33   61                                                 
CONECT   33   32   30   31   31                                       
CONECT   33   69                                                      
CONECT   34   39   35   19   62                                       
CONECT   35   36   34   63   64                                       
CONECT   36   37   17   35   65                                       
CONECT   37   38   39   36   66                                       
CONECT   38   37   30   67   68                                       
CONECT   39   37   34                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   33   70                                                 
CONECT   70   69                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
