* ------------ define organic functionalities -----------------
*
      CHARACTER*1  fluorine, sulfur, aromatic
      CHARACTER*2  bromine, chlorine, amine, carbonyl, secondary
      CHARACTER*3  ketene, aldehyde, nitroso(2), ketone, acyl,
     &             primary, methyl, ether
      CHARACTER*4  alkoxy, hydroxy
      CHARACTER*5  alkyl_peroxy, hydro_peroxide, nitro, nitrite
      CHARACTER*6  carboxylic_acid, nitrate, criegee, t_peroxy,
     &             acyl_oxy, s_alcohol, sulfate
      CHARACTER*7  acyl_peroxy, peroxy_acid, s_peroxy, p_alcohol,
     &             hot_criegee, peroxy_nitrate
      CHARACTER*8  ext_criegee, int_criegee, p_peroxy
      CHARACTER*9  pan, cold_criegee
C
c      CHARACTER    alfa*35, pri*70
      CHARACTER    alfa*61, pri*70
C
      INTEGER      nalfa
C
C
      DATA fluorine        /'F'/
      DATA sulfur          /'S'/
      DATA bromine         /'Br'/
      DATA chlorine        /'Cl'/
      DATA amine           /'NH'/
      DATA carbonyl        /'CO'/
      DATA secondary       /'CH'/
      DATA ketene          /'CdO'/
      DATA aldehyde        /'CHO'/
      DATA ketone          /'CO('/
      DATA acyl            /'CO.'/
      DATA primary         /'CH2'/
      DATA methyl          /'CH3'/
      DATA nitroso(1)      /'NO '/,    nitroso(2)     /'NO)'/
      DATA alkoxy          /'(O.)'/
      DATA hydroxy         /'(OH)'/
      DATA alkyl_peroxy    /'(OO.)'/
      DATA hydro_peroxide  /'(OOH)'/
      DATA nitro           /'(NO2)'/
      DATA nitrite         /'(ONO)'/
      DATA carboxylic_acid /'CO(OH)'/
      DATA nitrate         /'(ONO2)'/
      DATA sulfate         /'(OSO3)'/
      DATA criegee         /'.(OO.)'/
      DATA t_peroxy        /'C(OO.)'/
      DATA acyl_oxy        /'CO(O.)'/
      DATA s_alcohol       /'CH(OH)'/
      DATA acyl_peroxy     /'CO(OO.)'/
      DATA peroxy_acid     /'CO(OOH)'/
      DATA peroxy_nitrate  /'(OONO2)'/
      DATA hot_criegee     /'.(OO.)*'/
      DATA s_peroxy        /'CH(OO.)'/
      DATA p_alcohol       /'CH2(OH)'/
      DATA ext_criegee     /'CH.(OO.)'/
      DATA int_criegee     /'C.(OO.)'/
      DATA p_peroxy        /'CH2(OO.)'/
      DATA pan             /'CO(OONO2)'/
      DATA cold_criegee    /'CH2.(OO.)'/
      DATA ether           /'-O-'/
      DATA aromatic        /'c'/

***********************************************************************

      DATA pri
     &  /'CHOCHC CH(CH2 CH3O.)OO. OOH ONOF  Br2Br)Cl2Cl)NO2NO)OH)'/
      DATA alfa
     & /'0123456789ABCDEFGHIJKLMNOPQRSTUWXYZabcdefghijklmnopqrstuvwxyz'/
      DATA nalfa /61/
c      DATA alfa
c     & /'0123456789ABCDEFGHIJKLMNOPQRSTUWXYZ'/
c      DATA nalfa /35/

********************************************************************