view data/AminoAcids.sdf @ 0:4816e4a8ae95 draft default tip

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author deepakjadmin
date Wed, 20 Jan 2016 09:23:18 -0500
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Ala
  MayaChem07151112042D

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <AminoAcid>
Alanine

>  <ThreeLetterCode>
Ala

>  <OneLetterCode>
A

>  <MolecularWeight>
89.09318

>  <MolecularFormula>
C3H7NO2

>  <DNACodons>
GCT, GCC, GCA, GCG

>  <RNACodons>
GCA, GCC, GCG, GCU

>  <LinearStructure>
CH3--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
CH3--CH(NH3+)--COO-

$$$$
Arg
  MayaChem07151112042D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <AminoAcid>
Arginine

>  <ThreeLetterCode>
Arg

>  <OneLetterCode>
R

>  <MolecularWeight>
174.20096

>  <MolecularFormula>
C6H14N4O2

>  <DNACodons>
CGT, CGC, CGA, CGG, AGA, AGG

>  <RNACodons>
AGA, AGG, CGA, CGC, CGG, CGU

>  <LinearStructure>
HN==C(NH2)--NH--CH2--CH2--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
H2N+==C(NH2)--NH--CH2--CH2--CH2--CH(NH3+)--COO-

$$$$
Asn
  MayaChem07151112042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <AminoAcid>
Asparagine

>  <ThreeLetterCode>
Asn

>  <OneLetterCode>
N

>  <MolecularWeight>
132.11792

>  <MolecularFormula>
C4H8N2O3

>  <DNACodons>
AAT, AAC

>  <RNACodons>
AAC, AAU

>  <LinearStructure>
H2N--CO--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
H2N--CO--CH2--CH(NH3+)--COO-

$$$$
Asp
  MayaChem07151112042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <AminoAcid>
Aspartic acid

>  <ThreeLetterCode>
Asp

>  <OneLetterCode>
D

>  <MolecularWeight>
133.10268

>  <MolecularFormula>
C4H7NO4

>  <DNACodons>
GAT, GAC

>  <RNACodons>
GAC, GAU

>  <LinearStructure>
HOOC--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
HOOC--CH2--CH(NH3+)--COO-

$$$$
Cys
  MayaChem07151112042D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <AminoAcid>
Cysteine 

>  <ThreeLetterCode>
Cys

>  <OneLetterCode>
C

>  <MolecularWeight>
121.15818

>  <MolecularFormula>
C3H7NO2S

>  <DNACodons>
TGT, TGC

>  <RNACodons>
UGC, UGU

>  <LinearStructure>
HS--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
HS--CH2--CH(NH3+)--COO-

$$$$
Gln
  MayaChem07151112042D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <AminoAcid>
Glutamine

>  <ThreeLetterCode>
Gln

>  <OneLetterCode>
Q

>  <MolecularWeight>
146.1445

>  <MolecularFormula>
C5H10N2O3

>  <DNACodons>
CAA, CAG

>  <RNACodons>
CAA, CAG

>  <LinearStructure>
H2N--CO--CH2--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
H2N--CO--CH2--CH2--CH(NH3+)--COO-

$$$$
Glu
  MayaChem07151112042D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <AminoAcid>
Glutamic acid

>  <ThreeLetterCode>
Glu

>  <OneLetterCode>
E

>  <MolecularWeight>
147.12926

>  <MolecularFormula>
C5H9NO4

>  <DNACodons>
GAA, GAG

>  <RNACodons>
GAA, GAG

>  <LinearStructure>
HOOC--CH2--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
HOOC--CH2--CH2--CH(NH3+)--COO-

$$$$
Gly
  MayaChem07151112042D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
>  <AminoAcid>
Glycine

>  <ThreeLetterCode>
Gly

>  <OneLetterCode>
G

>  <MolecularWeight>
75.0666

>  <MolecularFormula>
C2H5NO2

>  <DNACodons>
GGT, GGC, GGA, GGG

>  <RNACodons>
GGA, GGC, GGG, GGU

>  <LinearStructure>
CH2(NH2)--COOH

>  <LinearStructureAtpH7_4>
CH2(NH3+)--COO-

$$$$
His
  MayaChem07151112042D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.4652    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    1.5157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8900    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1025    1.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8900    3.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    0.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <AminoAcid>
Histidine

>  <ThreeLetterCode>
His

>  <OneLetterCode>
H

>  <MolecularWeight>
155.15456

>  <MolecularFormula>
C6H9N3O2

>  <DNACodons>
CAT, CAC

>  <RNACodons>
CAC, CAU

>  <LinearStructure>
N*H--CH==N--CH==C*--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
N*H--CH==NH+--CH==C*--CH2--CH(NH3+)--COO-

$$$$
Ile
  MayaChem07151112042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <AminoAcid>
Isoleucine

>  <ThreeLetterCode>
Ile

>  <OneLetterCode>
I

>  <MolecularWeight>
131.17292

>  <MolecularFormula>
C6H13NO2

>  <DNACodons>
ATT, ATC, ATA

>  <RNACodons>
AUA, AUC, AUU

>  <LinearStructure>
CH3--CH2--CH(CH3)--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
CH3--CH2--CH(CH3)--CH(NH3+)--COO-

$$$$
Leu
  MayaChem07151112042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <AminoAcid>
Leucine

>  <ThreeLetterCode>
Leu

>  <OneLetterCode>
L

>  <MolecularWeight>
131.17292

>  <MolecularFormula>
C6H13NO2

>  <DNACodons>
CTT, CTC, CTA, CTG, TTA, TTG

>  <RNACodons>
UUA, UUG, CUA, CUC, CUG, CUU

>  <LinearStructure>
(CH3)2--CH--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
(CH3)2--CH--CH2--CH(NH3+)--COO-

$$$$
Lys
  MayaChem07151112042D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <AminoAcid>
Lysine

>  <ThreeLetterCode>
Lys

>  <OneLetterCode>
K

>  <MolecularWeight>
146.18756

>  <MolecularFormula>
C6H14N2O2

>  <DNACodons>
AAA, AAG

>  <RNACodons>
AAA, AAG

>  <LinearStructure>
H2N--CH2--CH2--CH2--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
H3N+--CH2--CH2--CH2--CH2--CH(NH3+)--COO-

$$$$
Met
  MayaChem07151112042D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <AminoAcid>
Methionine

>  <ThreeLetterCode>
Met

>  <OneLetterCode>
M

>  <MolecularWeight>
149.21134

>  <MolecularFormula>
C5H11NO2S

>  <DNACodons>
ATG (or Start)

>  <RNACodons>
AUG (or Start)

>  <LinearStructure>
CH3--S--CH2--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
CH3--S--CH2--CH2--CH(NH3+)--COO-

$$$$
Phe
  MayaChem07151112042D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <AminoAcid>
Phenylalanine

>  <ThreeLetterCode>
Phe

>  <OneLetterCode>
F

>  <MolecularWeight>
165.18914

>  <MolecularFormula>
C9H11NO2

>  <DNACodons>
TTT, TTC

>  <RNACodons>
UUC, UUU

>  <LinearStructure>
Ph--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
Ph--CH2--CH(NH3+)--COO-

$$$$
Pro
  MayaChem07151112042D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2157    1.6834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
M  END
>  <AminoAcid>
Proline

>  <ThreeLetterCode>
Pro

>  <OneLetterCode>
P

>  <MolecularWeight>
115.13046

>  <MolecularFormula>
C5H9NO2

>  <DNACodons>
CCT, CCC, CCA, CCG

>  <RNACodons>
CCA, CCC, CCG, CCU

>  <LinearStructure>
N*H--CH2--CH2--CH2--C*H--COOH

>  <LinearStructureAtpH7_4>
N*H2+--CH2--CH2--CH2--C*H--COO-

$$$$
Ser
  MayaChem07151112042D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.3999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <AminoAcid>
Serine

>  <ThreeLetterCode>
Ser

>  <OneLetterCode>
S

>  <MolecularWeight>
105.09258

>  <MolecularFormula>
C3H7NO3

>  <DNACodons>
TCT, TCC, TCA, TCG, AGT, AGC

>  <RNACodons>
AGC, AGU, UCA, UCC, UCG, UCU

>  <LinearStructure>
HO--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
HO--CH2--CH(NH3+)--COO-

$$$$
Thr
  MayaChem07151112042D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6375    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <AminoAcid>
Threonine

>  <ThreeLetterCode>
Thr

>  <OneLetterCode>
T

>  <MolecularWeight>
119.11916

>  <MolecularFormula>
C4H9NO3

>  <DNACodons>
ACT, ACC, ACA, ACG

>  <RNACodons>
ACA, ACC, ACG, ACU

>  <LinearStructure>
CH3--CH(OH)--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
CH3--CH(OH)--CH(NH3+)--COO-

$$$$
Trp
  MayaChem07151112042D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.4281    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    4.0552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8530    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    6.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    2.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <AminoAcid>
Tryptophan

>  <ThreeLetterCode>
Trp

>  <OneLetterCode>
W

>  <MolecularWeight>
204.22518

>  <MolecularFormula>
C11H12N2O2

>  <DNACodons>
TGG

>  <RNACodons>
UGG

>  <LinearStructure>
Ph*--NH--CH=C*--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
Ph*--NH--CH==C*--CH2--CH(NH3+)--COO-

$$$$
Tyr
  MayaChem07151112042D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.8495    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2744    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <AminoAcid>
Tyrosine

>  <ThreeLetterCode>
Tyr

>  <OneLetterCode>
Y

>  <MolecularWeight>
181.18854

>  <MolecularFormula>
C9H11NO3

>  <DNACodons>
TAT, TAC

>  <RNACodons>
UAC, UAU

>  <LinearStructure>
HO--Ph--CH2--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
HO--Ph--CH2--CH(NH3+)--COO-

$$$$
Val
  MayaChem07151112042D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6375    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <AminoAcid>
Valine

>  <ThreeLetterCode>
Val

>  <OneLetterCode>
V

>  <MolecularWeight>
117.14634

>  <MolecularFormula>
C5H11NO2

>  <DNACodons>
GTT, GTC, GTA, GTG

>  <RNACodons>
GUA, GUC, GUG, GUU

>  <LinearStructure>
(CH3)2--CH--CH(NH2)--COOH

>  <LinearStructureAtpH7_4>
(CH3)2--CH--CH(NH3+)--COO-

$$$$