RESIDUE   RXT     41
CONECT      CAK    4 CAH  CAU  H1   H2  
CONECT      CAH    4 CAK  CAI  H3   H4  
CONECT      CAI    4 CAH  CAL  H5   H6  
CONECT      CAL    4 CAI  CAU  H7   H8  
CONECT      CAU    4 CAK  CAL  CAV  H9  
CONECT      CAV    4 CAU  CAJ  NAW  H10 
CONECT      CAJ    4 CAV  CAB  H11  H12 
CONECT      CAB    2 CAJ  NAA 
CONECT      NAA    1 CAB 
CONECT      NAW    3 CAV  CAG  NAO 
CONECT      CAG    3 NAW  CAQ  H18 
CONECT      NAO    2 NAW  CAF 
CONECT      CAF    3 NAO  CAQ  H19 
CONECT      CAQ    3 CAG  CAF  CAR 
CONECT      CAR    3 CAQ  NAM  CAS 
CONECT      NAM    2 CAR  CAE 
CONECT      CAE    3 NAM  NAP  H20 
CONECT      NAP    2 CAE  CAT 
CONECT      CAT    3 NAP  CAS  NAN 
CONECT      CAS    3 CAR  CAT  CAD 
CONECT      CAD    3 CAS  CAC  H21 
CONECT      CAC    3 CAD  NAN  H22 
CONECT      NAN    3 CAT  CAC  H23 
CONECT      H1     1 CAK 
CONECT      H2     1 CAK 
CONECT      H3     1 CAH 
CONECT      H4     1 CAH 
CONECT      H5     1 CAI 
CONECT      H6     1 CAI 
CONECT      H7     1 CAL 
CONECT      H8     1 CAL 
CONECT      H9     1 CAU 
CONECT      H10    1 CAV 
CONECT      H11    1 CAJ 
CONECT      H12    1 CAJ 
CONECT      H18    1 CAG 
CONECT      H19    1 CAF 
CONECT      H20    1 CAE 
CONECT      H21    1 CAD 
CONECT      H22    1 CAC 
CONECT      H23    1 NAN 
END   
HET    RXT             41
HETSYN     RXT Ruxolitinib
HETNAM     RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-y
HETNAM   2 RXT l)-1H-pyrazol-1-yl]propanenitrile
FORMUL      RXT    C17 H18 N6