COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.321   0.635   0.468  1.00  0.00           C  
HETATM    2  C   UNL     1       4.509  -0.249   0.748  1.00  0.00           C  
HETATM    3  N   UNL     1       2.100  -0.023   0.938  1.00  0.00           N  
HETATM    4  C   UNL     1       0.916   0.261   0.360  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.324  -0.486   0.778  1.00  0.00           C  
HETATM    6  O   UNL     1       0.849   1.117  -0.495  1.00  0.00           O  
HETATM    7  N   UNL     1      -1.471   0.003   0.009  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.136  -1.959   0.517  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.310  -2.462  -0.758  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.132  -3.812  -0.998  1.00  0.00           C  
HETATM   11  C   UNL     1       0.210  -4.660   0.039  1.00  0.00           C  
HETATM   12  C   UNL     1       0.379  -4.157   1.315  1.00  0.00           C  
HETATM   13  C   UNL     1       0.206  -2.806   1.555  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.717  -0.114   0.509  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.897   0.390  -0.283  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.889  -0.623   1.596  1.00  0.00           O  
HETATM   17  N   UNL     1      -5.129   0.149   0.471  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.305   0.032  -0.178  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.438  -0.190   0.515  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.342   0.127  -1.389  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.704  -0.315  -0.184  1.00  0.00           C  
HETATM   22  C   UNL     1       3.495   1.969   1.198  1.00  0.00           C  
HETATM   23  C   UNL     1       4.693   2.719   0.611  1.00  0.00           C  
HETATM   24  C   UNL     1       4.992   3.991   1.437  1.00  0.00           C  
HETATM   25  C   UNL     1       5.426   4.986   0.338  1.00  0.00           C  
HETATM   26  N   UNL     1       4.781   4.514  -0.894  1.00  0.00           N  
HETATM   27  C   UNL     1       4.366   3.239  -0.772  1.00  0.00           C  
HETATM   28  O   UNL     1       3.810   2.603  -1.642  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.739   1.890  -0.535  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.936   2.401  -1.339  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.670   2.628   0.803  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.632  -1.491  -1.161  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.824  -0.561   0.829  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.990   0.974  -0.957  1.00  0.00           C  
HETATM   35  C   UNL     1       5.271  -0.677  -0.255  1.00  0.00           C  
HETATM   36  C   UNL     1       6.429  -1.540   0.018  1.00  0.00           C  
HETATM   37  O   UNL     1       7.201  -1.973  -0.998  1.00  0.00           O  
HETATM   38  O   UNL     1       6.691  -1.862   1.161  1.00  0.00           O  
HETATM   39  C   UNL     1       8.346  -2.826  -0.728  1.00  0.00           C  
HETATM   40  C   UNL     1       9.045  -3.172  -2.044  1.00  0.00           C  
HETATM   41  H   UNL     1       3.247   0.815  -0.605  1.00  0.00           H  
HETATM   42  H   UNL     1       4.741  -0.535   1.763  1.00  0.00           H  
HETATM   43  H   UNL     1       2.144  -0.664   1.665  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.505  -0.326   1.841  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.334   0.411  -0.861  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.577  -1.800  -1.569  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.264  -4.205  -1.996  1.00  0.00           H  
HETATM   48  H   UNL     1       0.346  -5.715  -0.148  1.00  0.00           H  
HETATM   49  H   UNL     1       0.646  -4.819   2.126  1.00  0.00           H  
HETATM   50  H   UNL     1       0.338  -2.413   2.552  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.946  -0.136  -1.236  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.100   0.073   1.438  1.00  0.00           H  
HETATM   53  H   UNL     1       2.594   2.570   1.075  1.00  0.00           H  
HETATM   54  H   UNL     1       3.666   1.783   2.258  1.00  0.00           H  
HETATM   55  H   UNL     1       5.569   2.071   0.578  1.00  0.00           H  
HETATM   56  H   UNL     1       4.096   4.343   1.950  1.00  0.00           H  
HETATM   57  H   UNL     1       5.801   3.815   2.145  1.00  0.00           H  
HETATM   58  H   UNL     1       5.082   5.991   0.581  1.00  0.00           H  
HETATM   59  H   UNL     1       6.510   4.974   0.225  1.00  0.00           H  
HETATM   60  H   UNL     1       4.670   5.051  -1.694  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.822   2.070  -1.096  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.824   3.470  -1.519  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.985   1.875  -2.292  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.853   2.222  -0.778  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.817   2.264   1.376  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.558   3.698   0.623  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.587   2.449   1.364  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.429  -2.409  -0.610  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.583  -1.585  -1.686  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.835  -1.315  -1.883  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.875   0.276   1.525  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.774  -0.656   0.304  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.620  -1.480   1.380  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.192   1.149  -1.679  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.940   0.879  -1.482  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.040   1.811  -0.261  1.00  0.00           H  
HETATM   77  H   UNL     1       5.039  -0.391  -1.270  1.00  0.00           H  
HETATM   78  H   UNL     1       8.010  -3.742  -0.243  1.00  0.00           H  
HETATM   79  H   UNL     1       9.042  -2.302  -0.073  1.00  0.00           H  
HETATM   80  H   UNL     1       9.904  -3.812  -1.841  1.00  0.00           H  
HETATM   81  H   UNL     1       8.349  -3.696  -2.699  1.00  0.00           H  
HETATM   82  H   UNL     1       9.381  -2.256  -2.529  1.00  0.00           H  
CONECT    1    2    3   22   41                                       
CONECT    2    1   35   35   42                                       
CONECT    3    1    4   43                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4    7    8   44                                       
CONECT    6    4    4                                                 
CONECT    7    5   14   45                                            
CONECT    8    5    9   13   13                                       
CONECT    9    8   10   10   46                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   12   12   48                                       
CONECT   12   11   11   13   49                                       
CONECT   13    8    8   12   50                                       
CONECT   14    7   15   16   16                                       
CONECT   15   14   17   29   51                                       
CONECT   16   14   14                                                 
CONECT   17   15   18   52                                            
CONECT   18   17   19   20   20                                       
CONECT   19   18   21                                                 
CONECT   20   18   18                                                 
CONECT   21   19   32   33   34                                       
CONECT   22    1   23   53   54                                       
CONECT   23   22   24   27   55                                       
CONECT   24   23   25   56   57                                       
CONECT   25   24   26   58   59                                       
CONECT   26   25   27   60                                            
CONECT   27   23   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   15   30   31   61                                       
CONECT   30   29   62   63   64                                       
CONECT   31   29   65   66   67                                       
CONECT   32   21   68   69   70                                       
CONECT   33   21   71   72   73                                       
CONECT   34   21   74   75   76                                       
CONECT   35    2    2   36   77                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   39                                                 
CONECT   38   36   36                                                 
CONECT   39   37   40   78   79                                       
CONECT   40   39   80   81   82                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
