RESIDUE   YEW     48
CONECT      CAA    3 CAB  CAF  CAU 
CONECT      CAB    3 CAA  CAC  H1  
CONECT      CAC    3 CAB  CAD  CAG 
CONECT      CAD    3 CAC  CAE  CAJ 
CONECT      CAE    3 CAD  CAF  H2  
CONECT      CAF    3 CAA  CAE  H3  
CONECT      CAG    3 CAC  CAH  H4  
CONECT      CAH    3 CAG  NAI  H5  
CONECT      CAJ    3 CAD  NAI  OBA 
CONECT      CAK    4 CAL  NAI  H6   H7  
CONECT      CAL    3 CAK  CAM  CAQ 
CONECT      CAM    3 CAL  CAN  H8  
CONECT      CAN    3 CAM  CAO  H9  
CONECT      CAO    3 CAN  CAP  H10 
CONECT      CAP    3 CAO  CAQ  CAR 
CONECT      CAQ    3 CAL  CAP  H11 
CONECT      CAR    3 CAP  NAS  OBB 
CONECT      CAT    4 NAS  H12  H13  H14 
CONECT      CAU    3 CAA  CAY  NAV 
CONECT      CAX    3 CAY  NAW  H15 
CONECT      CAY    3 CAU  CAX  H16 
CONECT      CAZ    4 NAV  H17  H18  H19 
CONECT      NAI    3 CAH  CAJ  CAK 
CONECT      NAS    3 CAR  CAT  H20 
CONECT      NAV    3 CAU  CAZ  NAW 
CONECT      NAW    2 CAX  NAV 
CONECT      OBA    1 CAJ 
CONECT      OBB    1 CAR 
CONECT      H1     1 CAB 
CONECT      H2     1 CAE 
CONECT      H3     1 CAF 
CONECT      H4     1 CAG 
CONECT      H5     1 CAH 
CONECT      H6     1 CAK 
CONECT      H7     1 CAK 
CONECT      H8     1 CAM 
CONECT      H9     1 CAN 
CONECT      H10    1 CAO 
CONECT      H11    1 CAQ 
CONECT      H12    1 CAT 
CONECT      H13    1 CAT 
CONECT      H14    1 CAT 
CONECT      H15    1 CAX 
CONECT      H16    1 CAY 
CONECT      H17    1 CAZ 
CONECT      H18    1 CAZ 
CONECT      H19    1 CAZ 
CONECT      H20    1 NAS 
END   
HET    YEW             48
HETNAM     YEW ~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanyliden
HETNAM   2 YEW e-isoquinolin-2-yl]methyl]benzamide
FORMUL      YEW    C22 H20 N4 O2