* List of species having a name fixed (i.e. not set by the generator) * --------------------------------------------------------------------- * * this file is read up to the keyword END. * Comment line (* as first character) can be placed * everywhere in the file. * * first column : is the 6 character name * second column : chemical formula of the corresponing species * DATA AFTER '|' ARE NOT READ * * Code for the functional group are created in subroutine "naming" * and need not to be declared here. * * The maximum number of species in fixedname.dat is defined * in 'general.h' by PARAMETER (mfn=xxx) * * ADDITIONAL COMMENT ABOUT THE NAMES * ================================== * There are 2 ways to set the short name : * 1) use a name whigh can not be confused with the name given by * naming (for example use ACETON for CH3COCH3). In that case, * don't put a numerical character (0-9) at the third position. * 2) set the name based on rules used by the generator (see routine * naming). In that case, make sure that the first 3 characters are * correctly set. The last 3 characters are "free" (UPPERCASE * ALPHANUMERICAL CHARACTER ONLY). * * NOT TO BE USED WITH C1 SPECIES (names already fixed in the * corresponding file) * ********************************************************************* APINEN C12HCH2CH(C1(CH3)CH3)CH2CdH=Cd2CH3 | 10: a-pinene BPINEN C12HCH2CH(C1(CH3)CH3)CH2CH2Cd2=CdH2 | 10: b-pinene LIMONN C1H2CH2Cd(CH3)=CdHCH2C1HCd(CH3)=CdH2 | 10: limonene CARENE C12HCH2Cd(CH3)=CdHCH2C2HC1(CH3)CH3 | 10: carene CAMPHN CH3C1(CH3)Cd(=CdH2)CH(C2H2)CH2CH2C12H | 10: camphene TPNOLN C1H2CH2Cd(CH3)=CdHCH2Cd1=Cd(CH3)CH3 | 10: terpinolene TPNENE C1H2CdH=Cd(CH3)CH2CdH=Cd1CH(CH3)CH3 | 10: g-terpinene THUJEN C12HCH2C1(CH(CH3)CH3)CdH=CdHC2HCH3 | 10: b-thujene SABINN C1H2Cd(=CdH2)C2HCH2C2(C1H2)CH(CH3)CH3 | 10: sabinene GLYOX CHOCHO | 2: glyoxal MGLYOX CH3COCHO | 3: methylglyoxal TETROL CH3C(OH)(CH2(OH))CH(OH)CH2(OH) | 5 : methyltetrol OOOO OSULFA CH3C(OH)(CH2(OH))CH(OH)CH2(OSO3) | 5 : organosulfate END E02000 CH3-O-CH3 | T09004 C1(CH3)(CH2CH3)CH2CH2CH2CH2C1H2 | T00004 C1(CH3)(CH2CH2CH3)CH2CH2CH2CH2C1H2 | EK6001 CH3CH(CH3)CH2-O-COCH3 | T07002 C1(CH3)(CH3)CH2CH2CH2C1H2 | T09005 C1H(CH3)CH(CH3)CH(CH3)CH2CH2C1H2 | T07004 C1H(CH3)CH(CH3)CH2CH2C1H2 | OO3000 CH2(OH)CH(OH)CH3 | UU4000 CdH2=CdHCdH=CdH2 | T07003 C1H(CH3)CH2CH(CH3)CH2C1H2 | UU6001 CdH2=CdHCdH=CdHCH2CH3 | EE0002 CH3CH2CH2CH2-O-CH2CH(CH3)-O-CH2CH(OH)CH3 | EE8001 CH3CH2-O-CH(CH3)CH2-O-CH2CH(OH)CH3 | EE7000 CH3-O-CH2CH(CH3)-O-CH2CH(OH)CH3| D04000 CH3CH2CH2CHO | O04000 CH3CH2CH2CH2(OH) | U04000 CdH2=CdHCH2CH3 | U00000 CdH2=CdHCH2CH2CH2CH2CH2CH2CH2CH3 | EO5001 CH3CH2-O-CH2CH(OH)CH3 | EE7001 CH3CH2-O-CH2CO-O-CH2CH2CH3 | T09003 C1H(CH2CH3)CH2CH(CH3)CH2CH2C1H2| T09002 C1H(CH2CH3)CH2CH2CH(CH3)CH2C1H2| U07000 CdH2=CdHCH2CH2CH2CH2CH3| U06000 CdH2=CdHCH2CH2CH2CH3 | EO4001 CH3-O-CH2CH2CH2(OH) | EE6000 CH3-O-CH2CH(CH3)-O-COCH3 | T00002 C1H(CH3)CH2CH2CH(CH2CH2CH3)CH2C1H2 | U05000 CdH2=CdHCH2CH2CH3 | D03000 CH3CH2CHO | O03000 CH3CH2CH2(OH) | C00008 CH3C(CH3)(CH3)C(CH3)(CH3)CH2CH2CH3 | EK1200 CH3CH(CH3)CO-O-CH2C(CH3)(CH3)CH(OH)CH(CH3)CH3 | C06001 CH3C(CH3)(CH3)CH2CH3 | C05002 CH3C(CH3)(CH3)CH3 | C06002 CH3CH(CH3)CH(CH3)CH3 | C09002 CH3CH(CH3)CH(CH3)CH2CH2CH2CH3 | C07003 CH3CH(CH3)CH2CH(CH3)CH3| C00004 CH3CH(CH3)CH2CH2CH(CH3)CH2CH2CH3 | C00005 CH3CH(CH3)CH2CH2CH2CH(CH3)CH2CH3 | EE8002 CH3CH2CH2CH2-O-CH2CH2-O-CH2CH2(OH) | EE0000 CH3CO-O-CH2CH2-O-CH2CH2-O-CH2CH2CH2CH3 | EE6001 CH3CH2-O-CH2CH2-O-CH2CH2(OH) | EE8003 CH3CO-O-CH2CH2-O-CH2CH2-O-CH2CH3 | EE5000 CH3-O-CH2CH2-O-CH2CH2(OH) | EE8000 CH3CH2-O-CH2CH2-O-CH2CH2-O-CH2CH2(OH) | O04001 CH3CH(OH)CH2CH3| K04000 CH3COCH2CH3 | EO6000 CH3CH2CH2CH2-O-CH2CH2(OH) | EE8004 CH3CH2CH2CH2-O-CH2CH2-O-COCH3 | EO4000 CH3CH2-O-CH2CH2(OH) | EE6002 CH3CO-O-CH2CH2-O-CH2CH3| EO5000 CH3CH(CH3)-O-CH2CH2(OH)| OE3000 CH3-O-CH2CH2(OH) | EE5001 CH3CO-O-CH2CH2-O-CH3 | | U05002 CdH2=Cd(CH3)CH2CH3 | O04002 CH3CH(CH3)CH2(OH) | U05003 CH3Cd(CH3)=CdHCH3 | C01006 CH3CH(CH3)CH2CH2CH(CH2CH3)CH2CH2CH3 | C05001 CH3CH(CH3)CH2CH3 | C01001 CH3CH(CH3)CH2CH2CH2CH2CH2CH2CH2CH3 | C08001 CH3CH(CH3)CH2CH2CH2CH2CH3 | C07001 CH3CH(CH3)CH2CH2CH2CH3 | C00001 CH3CH(CH3)CH2CH2CH2CH2CH2CH2CH3| C09001 CH3CH(CH3)CH2CH2CH2CH2CH2CH3 | C06003 CH3CH(CH3)CH2CH2CH3 | D04001 CH3CH(CH3)CHO | C04001 CH3CH(CH3)CH3 | U04003 CH3Cd(CH3)=CdH2| U05001 CH3CdH=CdHCH2CH3 | O03001 CH3CH(OH)CH3 | C00006 CH3CH2C(CH3)(CH3)CH2CH2CH2CH2CH3 | C09003 CH3CH2CH(CH3)CH(CH3)CH2CH2CH3 | C01005 CH3CH2CH(CH3)CH2CH2CH2CH(CH3)CH2CH3 | C00007 CH3CH(CH3)CH(CH2CH3)CH2CH2CH2CH3 | C09004 CH3CH2CH(CH2CH3)CH2CH2CH2CH3 | U05004 CdH2=CdHCH(CH3)CH3 | C01002 CH3CH2CH(CH3)CH2CH2CH2CH2CH2CH2CH3 | C08002 CH3CH2CH(CH3)CH2CH2CH2CH3 | C07002 CH3CH2CH(CH3)CH2CH2CH3 | C00002 CH3CH2CH(CH3)CH2CH2CH2CH2CH2CH3| C09005 CH3CH2CH(CH3)CH2CH2CH2CH2CH3 | C06004 CH3CH2CH(CH3)CH2CH3 | K06000 CH3COCH2CH(CH3)CH3 | KO6000 CH3COCH2C(OH)(CH3)CH3 | C01003 CH3CH2CH2CH(CH3)CH2CH2CH2CH2CH2CH3 | C08003 CH3CH2CH2CH(CH3)CH2CH2CH3 | C00003 CH3CH2CH2CH(CH3)CH2CH2CH2CH2CH3| C09006 CH3CH2CH2CH(CH3)CH2CH2CH2CH3 | C01004 CH3CH2CH2CH2CH(CH3)CH2CH2CH2CH2CH3 | C00000 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH3 || T00001 C1H(CH2CH2CH2CH3)CH2CH2CH2CH2C1H2 | C01000 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | DODECA CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | TEDECA CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | | | | T07001 C1H(CH3)CH2CH2CH2CH2C1H2 | C08000 CH3CH2CH2CH2CH2CH2CH2CH3 | U08000 CdH2=CdHCH2CH2CH2CH2CH2CH3 | T08000 C1H(CH2CH3)CH2CH2CH2CH2C1H2 | C09000 CH3CH2CH2CH2CH2CH2CH2CH2CH3 | D02000 CH3CHO | A02000 CH3CO(OH) | K03000 CH3COCH3 | ACROL CdH2=CdHCHO | AU3000 CdH2=CdHCO(OH) | C04000 CH3CH2CH2CH3 | EK6000 CH3CH2CH2CH2CO-O-CH3 | | CROTO CH3CdH=CdHCHO | T06000 C1H2CH2CH2CH2CH2C1H2 | TK6000 C1OCH2CH2CH2CH2C1H2 | DECALN C1H2CH2CH2CH2C2HCH2CH2CH2CH2C12H | | E06001 CH3CH2CH2-O-CH2CH2CH3 | T07002 C1(CH3)(CH3)CH2CH2CH2C1H2 | LIMONN CdH2=Cd(CH3)C1HCH2CdH=Cd(CH3)CH2C1H2 | C02000 CH3CH3 | O02000 CH3CH2(OH) | EK4000 CH3CO-O-CH2CH3 | EU5000 CdH2=CdHCO-O-CH2CH3 | EK6003 CH3CH2CH2CO-O-CH2CH3 | EK5002 CH3CH2CO-O-CH2CH3 | U02000 CdH2=CdH2 | ETGLY CH2(OH)CH2(OH)| CH2O CH2O | GLYOX CHOCHO | C07000 CH3CH2CH2CH2CH2CH2CH3 | C06000 CH3CH2CH2CH2CH2CH3 | LIMONN CdH2=Cd(CH3)C1HCH2CdH=Cd(CH3)CH2C1H2 | CH3OH CH3(OH)| EK3000 CH3CO-O-CH3 | EK2000 CHO-O-CH3 | | T06001 C1H(CH3)CH2CH2CH2C1H2 | U04002 CH3CdH=CdHCH3 | C05000 CH3CH2CH2CH2CH3 | C03000 CH3CH2CH3 | EK5000 CH3CO-O-CH2CH2CH3 | EK7000 CH3CH2CH2CO-O-CH2CH2CH3| EK6002 CH3CH2CH2-O-COCH2CH3 | T09001 C1H(CH2CH2CH3)CH2CH2CH2CH2C1H2 | U03000 CdH2=CdHCH3 | LIMONN CdH2=Cd(CH3)C1HCH2CdH=Cd(CH3)CH2C1H2 | TE4000 C1H2-O-CH2CH2C1H2 | NAN130 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN150 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN160 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN170 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN180 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN190 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN200 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3| NAN210 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN220 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN230 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN240 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN250 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN260 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | NAN270 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 | ISOPRE CdH2=Cd(CH3)CdH=CdH2 | APINEN CH3Cd1=CdHCH2CH(C2H2)C(CH3)(CH3)C12H | END ***