RESIDUE   KTK     34
CONECT      CAO    3 CAP  CAN  H1  
CONECT      CAP    3 CAO  CAQ  H2  
CONECT      CAQ    3 CAP  OAT  CAR 
CONECT      OAT    2 CAQ  H3  
CONECT      CAR    3 CAQ  CAS  H4  
CONECT      CAS    3 CAR  CAN  H5  
CONECT      CAN    3 CAO  CAS  CAJ 
CONECT      CAJ    3 CAN  CAK  CAB 
CONECT      CAK    3 CAJ  NAM  NAL 
CONECT      NAM    3 CAK  H6   H7  
CONECT      NAL    2 CAK  NAA 
CONECT      NAA    3 NAL  CAB  H8  
CONECT      CAB    3 CAJ  NAA  CAC 
CONECT      CAC    3 CAB  CAH  CAD 
CONECT      CAH    3 CAC  CAG  H9  
CONECT      CAG    3 CAH  CAF  H10 
CONECT      CAF    3 CAG  OAI  CAE 
CONECT      OAI    2 CAF  H11 
CONECT      CAE    3 CAF  CAD  H12 
CONECT      CAD    3 CAC  CAE  OAU 
CONECT      OAU    2 CAD  H13 
CONECT      H1     1 CAO 
CONECT      H2     1 CAP 
CONECT      H3     1 OAT 
CONECT      H4     1 CAR 
CONECT      H5     1 CAS 
CONECT      H6     1 NAM 
CONECT      H7     1 NAM 
CONECT      H9     1 CAH 
CONECT      H10    1 CAG 
CONECT      H11    1 OAI 
CONECT      H12    1 CAE 
CONECT      H13    1 OAU 
CONECT      H8     1 NAA 
END   
HET    KTK             34
HETNAM     KTK 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-
HETNAM   2 KTK 1,3-diol
FORMUL      KTK    C15 H13 N3 O3