COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.462  -2.205  -0.791  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.407  -1.306   0.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.634  -0.809   0.650  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.828  -1.349   0.317  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.055  -0.851   0.940  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.233  -1.384   0.611  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.497  -0.872   1.253  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.485  -0.447   0.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.768   0.072   0.817  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.757   0.497  -0.271  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.040   1.017   0.380  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.028   1.441  -0.707  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.454   0.215  -1.517  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.260   2.076  -0.058  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.217  -0.772   0.364  1.00  0.00           N  
HETATM   16  C   UNL     1       1.013  -1.273  -0.256  1.00  0.00           C  
HETATM   17  C   UNL     1       2.181  -1.005   0.658  1.00  0.00           C  
HETATM   18  O   UNL     1       2.004  -0.450   1.721  1.00  0.00           O  
HETATM   19  C   UNL     1       1.237  -0.563  -1.592  1.00  0.00           C  
HETATM   20  O   UNL     1       1.471   0.827  -1.360  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.003  -0.731  -2.473  1.00  0.00           C  
HETATM   22  N   UNL     1       3.422  -1.383   0.293  1.00  0.00           N  
HETATM   23  C   UNL     1       4.555  -1.123   1.178  1.00  0.00           C  
HETATM   24  C   UNL     1       5.097   0.267   0.973  1.00  0.00           C  
HETATM   25  O   UNL     1       6.083   0.610   1.599  1.00  0.00           O  
HETATM   26  C   UNL     1       5.647  -2.167   0.978  1.00  0.00           C  
HETATM   27  C   UNL     1       6.351  -2.035  -0.366  1.00  0.00           C  
HETATM   28  O   UNL     1       5.742  -1.048  -1.184  1.00  0.00           O  
HETATM   29  C   UNL     1       7.832  -1.720  -0.148  1.00  0.00           C  
HETATM   30  C   UNL     1       8.256  -0.493  -0.953  1.00  0.00           C  
HETATM   31  N   UNL     1       7.992   0.714  -0.141  1.00  0.00           N  
HETATM   32  N   UNL     1       4.488   1.080   0.058  1.00  0.00           N  
HETATM   33  C   UNL     1       4.328   2.509   0.416  1.00  0.00           C  
HETATM   34  C   UNL     1       4.278   2.731   1.922  1.00  0.00           C  
HETATM   35  C   UNL     1       5.418   3.348  -0.240  1.00  0.00           C  
HETATM   36  C   UNL     1       6.816   2.866   0.124  1.00  0.00           C  
HETATM   37  C   UNL     1       7.185   1.660  -0.703  1.00  0.00           C  
HETATM   38  O   UNL     1       6.780   1.540  -1.837  1.00  0.00           O  
HETATM   39  H   UNL     1      -2.586  -0.011   1.376  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.876  -2.147  -0.409  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.007  -0.054   1.666  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.281  -2.182  -0.115  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.941  -1.661   1.860  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.262  -0.016   1.885  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.041   0.341  -0.442  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.720  -1.304  -0.467  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.213  -0.716   1.424  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.534   0.929   1.449  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.312   1.286  -0.878  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.991  -0.359  -0.903  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.484   0.228   0.987  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.805   1.873   1.013  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.552   2.166  -1.368  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.930  -0.510  -0.856  1.00  0.00           H  
HETATM   55  H   UNL     1     -14.158   0.517  -2.292  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.576  -0.237  -1.980  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.957   2.950   0.519  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.964   2.378  -0.833  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.736   1.352   0.603  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.173  -0.055   1.016  1.00  0.00           H  
HETATM   61  H   UNL     1       0.922  -2.346  -0.425  1.00  0.00           H  
HETATM   62  H   UNL     1       2.101  -0.998  -2.094  1.00  0.00           H  
HETATM   63  H   UNL     1       1.622   1.341  -2.165  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.867  -0.296  -1.971  1.00  0.00           H  
HETATM   65  H   UNL     1       0.157  -0.225  -3.425  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.181  -1.791  -2.651  1.00  0.00           H  
HETATM   67  H   UNL     1       3.563  -1.827  -0.558  1.00  0.00           H  
HETATM   68  H   UNL     1       4.199  -1.196   2.220  1.00  0.00           H  
HETATM   69  H   UNL     1       6.383  -2.081   1.786  1.00  0.00           H  
HETATM   70  H   UNL     1       5.198  -3.167   1.048  1.00  0.00           H  
HETATM   71  H   UNL     1       6.284  -3.005  -0.887  1.00  0.00           H  
HETATM   72  H   UNL     1       6.089  -1.016  -2.086  1.00  0.00           H  
HETATM   73  H   UNL     1       8.009  -1.532   0.914  1.00  0.00           H  
HETATM   74  H   UNL     1       8.433  -2.581  -0.452  1.00  0.00           H  
HETATM   75  H   UNL     1       9.333  -0.559  -1.154  1.00  0.00           H  
HETATM   76  H   UNL     1       7.731  -0.450  -1.901  1.00  0.00           H  
HETATM   77  H   UNL     1       8.376   0.835   0.744  1.00  0.00           H  
HETATM   78  H   UNL     1       4.126   0.746  -0.788  1.00  0.00           H  
HETATM   79  H   UNL     1       3.355   2.843   0.003  1.00  0.00           H  
HETATM   80  H   UNL     1       5.204   2.374   2.372  1.00  0.00           H  
HETATM   81  H   UNL     1       4.160   3.794   2.129  1.00  0.00           H  
HETATM   82  H   UNL     1       3.435   2.183   2.342  1.00  0.00           H  
HETATM   83  H   UNL     1       5.290   3.304  -1.326  1.00  0.00           H  
HETATM   84  H   UNL     1       5.299   4.392   0.065  1.00  0.00           H  
HETATM   85  H   UNL     1       7.536   3.665  -0.086  1.00  0.00           H  
HETATM   86  H   UNL     1       6.878   2.620   1.181  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   15                                       
CONECT    3    4    4    2   39                                       
CONECT    4    5    3    3   40                                       
CONECT    5    6    6    4   41                                       
CONECT    6    7    5    5   42                                       
CONECT    7    8    6   43   44                                       
CONECT    8    9    7   45   46                                       
CONECT    9   10    8   47   48                                       
CONECT   10   11    9   49   50                                       
CONECT   11   12   10   51   52                                       
CONECT   12   14   13   11   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   12   57   58   59                                       
CONECT   15   16   60    2                                            
CONECT   16   15   17   19   61                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   21   62                                       
CONECT   20   19   63                                                 
CONECT   21   19   64   65   66                                       
CONECT   22   23   67   17                                            
CONECT   23   22   24   26   68                                       
CONECT   24   23   25   25   32                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   69   70                                       
CONECT   27   26   28   29   71                                       
CONECT   28   27   72                                                 
CONECT   29   27   30   73   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   77   37                                            
CONECT   32   33   78   24                                            
CONECT   33   35   34   32   79                                       
CONECT   34   33   80   81   82                                       
CONECT   35   36   33   83   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   38   38   36   31                                       
CONECT   38   37   37                                                 
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
