global_
_lib_name mon_lib
_lib_version 3.1
_lib_update 16/07/00
CONTENTS
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
ALA ALA 'ALANINE ' L-peptide 10 5 .
ARG ARG 'ARGININE ' L-peptide 24 11 .
ASN ASN 'ASPARAGINE ' L-peptide 14 8 .
ASP ASP 'ASPARTIC-ACID ' L-peptide 12 8 .
CSH CSH 'CYSTEINE ' L-peptide 11 6 .
CYS CYS 'CYSTINE ' L-peptide 10 6 .
GLN GLN 'GLUTAMINE ' L-peptide 17 9 .
GLU GLU 'GLUTAMIC-ACID ' L-peptide 15 9 .
GLY GLY 'GLYCINE ' L-peptide 7 4 .
HIS HIS 'HISTIDINE ' L-peptide 18 10 .
ILE ILE 'ISOLEUCINE ' L-peptide 19 8 .
LEU LEU 'LEUCINE ' L-peptide 19 8 .
LYS LYS 'LYSINE ' L-peptide 22 9 .
MET MET 'METHIONINE ' L-peptide 17 8 .
MSE MSE 'SELENOMETHIONINE ' L-peptide 17 8 .
ORN ORN 'ORNITHINE ' L-peptide 18 8 .
PHE PHE 'PHENYLALANINE ' L-peptide 20 11 .
PRO PRO 'PROLINE ' L-peptide 14 7 .
SER SER 'SERINE ' L-peptide 11 6 .
THR THR 'THREONINE ' L-peptide 14 7 .
TRP TRP 'TRYPTOPHAN ' L-peptide 24 14 .
TYR TYR 'TYROSINE ' L-peptide 21 12 .
VAL VAL 'VALINE ' L-peptide 16 7 .
ACE ACE 'acetyl ' polymer 6 3 .
FOR FOR 'Formyl ' polymer 2 2 .
ABA ABA 'ALPHA-AMINOBUTYRIC ACID ' L-peptide 13 6 .
BOC BOC 'TERT-BUTYLOXYCARBONYL GROUP ' polymer 16 7 .
BMT BMT '4-[(E)-2-BUTENYL]-4,N-DIMETHYL-THREO' L-peptide 31 13 .
SAR SAR 'SARCOSINE ' L-peptide 11 5 .
MLE MLE 'N-METHYLLEUCINE ' L-peptide 23 9 .
MVA MVA 'N-METHYLVALINE ' L-peptide 20 8 .
IVA IVA 'Isovaleric_acid ' polymer 15 6 .
DFO DFO '2,2-difluoro-3-hydrostatone ' polymer 27 14 .
DRM DRM '2"-DEOXYRIBO-5"-MONOPHOSPHAT ' non-polymer 34 21 M
NME NME 'N-methylamide ' polymer 6 2 .
AHT AHT '2-amino-2-hydroxyethyl-tyrosine ' L-peptide 27 16 .
PTR PTR 'PHOSPHOTYROSINE ' L-peptide 26 16 .
PCA PCA '5-pyrrolidone-2-carboxylic_acid ' L-peptide 14 8 .
HYP HYP '4-Hydroxyproline ' L-peptide 14 8 .
INI INI 'Amidinated_lysine_with_methyl_isonic' L-peptide 35 17 .
NLE NLE 'NORLEUCINE ' L-peptide 19 8 .
TYS TYS 'SULFONATED TYROSINE ' L-peptide 24 16 .
CGU CGU 'GAMMA-CARBOXY-GLUTAMIC ACID ' L-peptide 17 12 .
STA STA 'STATINE ' polymer 26 11 .
ILG ILG 'GLUTAMYL GROUP ' L-peptide 17 9 .
OCS OCS 'CYSTEINESULFONIC ACID ' L-peptide 13 9 .
KCX KCX 'LYSINE NZ-CARBOXYLIC ACID ' L-peptide 23 12 .
SAH SAH 'S-ADENOSYL-L-HOMOCYSTEINE ' L-peptide 43 25 .
SAM SAM 'S-ADENOSYLMETHIONINE ' L-peptide 47 26 .
SEP SEP 'PHOSPHOSERINE ' L-peptide 14 10 .
LLP LLP 'LYSINE-PYRIDOXAL-5*-PHOSPHATE ' L-peptide 38 24 .
5HP 5HP '5-Hydroxyproline ' L-peptide 14 8 .
CSO CSO 'S-HYDROXYCYSTINE ' L-peptide 12 7 .
ETA ETA 'ethanolamine ' polymer 9 4 .
TFA TFA 'TRIFLUOROACETYL GROUP ' polymer 6 6 .
ANI ANI '4-TRIFLUOROMEHYLANILINE ' polymer 17 11 .
MPR MPR 'BETA-MERCAPTOPROPIONATE ' polymer 9 5 .
DAM DAM 'N-METHYL-ALPHA-BETA-DEHYDROALANINE ' polymer 12 6 .
ACB ACB '2-AMINO-3-CARBONYLBUTANOIC ACID ' polymer 16 9 .
ADD ADD '2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-M' polymer 54 23 .
CXM CXM 'N-CARBOXYMETHIONINE ' polymer 20 11 .
DIP DIP 'DIPENTYLAMINE ' polymer 11 11 .
BAL BAL 'BETA-ALANINE ' polymer 10 5 .
Ad A 'Adenosine ' DNA 32 21 .
Cd C 'Cytidine ' DNA 30 19 .
Gd G 'Guanosine ' DNA 33 22 .
Td T 'Thymidine ' DNA 32 20 .
Ar A 'Adenosine ' RNA 33 22 .
Cr C 'Cytidine ' RNA 31 20 .
Gr G 'Guanosine ' RNA 34 23 .
Ur U 'Uridine ' RNA 30 20 .
YG YG 'Wybutosine ' RNA 65 39 .
PSU PSU 'Pseudouridine ' RNA 29 20 .
Ir I 'Inosine ' RNA 32 22 .
MAN-b-D MAN 'beta_D_mannose ' D-pyranose 24 12 .
NAG-b-D NAG 'beta_D_N-acetyl-Glucose ' D-pyranose 30 15 .
SIA SIA 'sialic-acid ' L-saccharide 39 21 .
FUC-a-L FUC 'alpha_L_fucose ' L-pyranose 23 11 .
GAL-b-D GAL 'beta_D_galactose ' D-pyranose 24 12 .
GLC-b-D GLC 'beta_D_glucose ' D-pyranose 24 12 .
XYL XYL 'xylose ' D-furanose 20 10 .
DRB DRB 'deoxyribose ' D-furanose 19 9 .
RIB RIB 'ribose ' D-furanose 20 10 .
FRC FRC 'alpha_fructose ' D-furanose 24 12 .
FRU FRU 'beta_fructose ' D-furanose 24 12 .
XYS XYS 'D-Xylose ' D-pyranose 18 10 .
XLS XLS 'D-Xylose_(open_chain_form) ' D-saccharide 20 10 .
ARB ARB 'beta_L_arabinose ' L-pyranose 20 10 .
RIP RIP 'RIBOSE(PYRANOSE FORM) ' L-pyranose 20 10 .
ABE ABE 'ABEQUOSE ' L-pyranose 22 10 .
RAM RAM 'RHAMNOSE ' L-pyranose 23 11 .
MAL MAL 'MALTOSE ' D-saccharide 45 23 .
LAT LAT 'LACTOSE ' D-saccharide 45 23 .
SUC SUC 'SUCROSE ' D-saccharide 45 23 .
GCU-b-D GCU 'D-GLUCURONIC ACID ' D-pyranose 22 13 .
CEG-b-D CEG '4,6-O-(1_cagboxyethylidene-beta-d-GL' D-pyranose 26 16 .
FE . 'ferrum ' non-polymer 1 1 .
TI . 'titanium ' non-polymer 1 1 .
NB . 'Nb ' non-polymer 1 1 .
TC . 'Tc ' non-polymer 1 1 .
P . 'phosphorus ' non-polymer 1 1 .
S . 'sulfur ' non-polymer 1 1 .
I . 'iodin ' non-polymer 1 1 .
BR . 'bromine ' non-polymer 1 1 .
CL . 'chlorine ' non-polymer 1 1 .
CA . 'calcium ' non-polymer 1 1 .
NO . 'No ' non-polymer 1 1 .
CO . 'cobalt ' non-polymer 1 1 .
CU . 'copper ' non-polymer 1 1 .
ZN . 'zinc ' non-polymer 1 1 .
MG . 'magnesium ' non-polymer 1 1 .
MN . 'manganese ' non-polymer 1 1 .
CD . 'cadmium ' non-polymer 1 1 .
F . 'fluorine ' non-polymer 1 1 .
NA . 'sodium ' non-polymer 1 1 .
B . 'boron ' non-polymer 1 1 .
HG . 'mercury ' non-polymer 1 1 .
V . 'vanadium ' non-polymer 1 1 .
PB . 'lead ' non-polymer 1 1 .
HOH . 'water ' solvent 3 1 .
SO3 . 'SULFITE ION ' non-polymer 4 4 .
SO4 . 'sulphate-(SO4) ' non-polymer 5 5 .
PO3 . 'PHOSPHITE ION ' non-polymer 4 4 .
PO4 . 'phosphate-(PO4) ' non-polymer 5 5 .
CH2 . 'Methylene ' non-polymer 3 1 .
SCN . 'THIOCYANATE ION ' non-polymer 3 3 .
CYN . 'CYANIDE ION ' non-polymer 2 2 .
CMO . 'CARBON MONOXIDE ' non-polymer 2 2 .
GD . 'GADOLINIUM ATOM ' non-polymer 1 1 .
NH4 . 'AMMONIUM ION ' non-polymer 5 1 .
NH2 . 'AMINO GROUP ' non-polymer 3 1 .
OH . 'HYDROXIDE ION ' non-polymer 2 1 .
HO . 'HOLMIUM ATOM ' non-polymer 1 1 .
DOD . 'DEUTERATED WATER ' non-polymer 3 1 .
OXY . 'OXYGEN MOLECULE ' non-polymer 2 2 .
C2O . 'CU-O-CU LINKAGE ' non-polymer 3 3 .
C1O . 'CU-O LINKAGE ' non-polymer 2 2 .
IN . 'INDIUM (III) ION ' non-polymer 1 1 .
NI . 'NICKEL (II) ION ' non-polymer 1 1 .
NO3 . 'NITRATE ION ' non-polymer 4 4 .
NO2 . 'NITRITE ION ' non-polymer 3 3 .
IOD . 'IODIDE ION ' non-polymer 1 1 .
MTO . 'BOUND WATER ' non-polymer 3 1 .
SR . 'STRONTIUM ION ' non-polymer 1 1 .
YB . 'YTTERBIUM (III) ION ' non-polymer 1 1 .
AL . 'ALUMINUM ION ' non-polymer 1 1 .
HYD . 'HYDROXY GROUP ' non-polymer 2 1 .
IUM . 'URANYL(VI) ION ' non-polymer 3 3 .
FLO . 'FLUORO GROUP ' non-polymer 1 1 .
TE . 'te ' non-polymer 1 1 .
K . 'POTASSIUM ION ' non-polymer 1 1 .
LI . 'LITHIUM ION ' non-polymer 1 1 .
RB . 'RUBIDIUM ION ' non-polymer 1 1 .
FE2 . 'FE(II) ION ' non-polymer 1 1 .
NMO . 'NITROGEN MONOXIDE ' non-polymer 2 2 .
OXO . 'OXO GROUP ' non-polymer 1 1 .
CO2 . 'CARBON DIOXIDE ' non-polymer 3 3 .
BA . 'BARIUM ION ' non-polymer 1 1 .
O . 'OXYGEN ATOM ' non-polymer 1 1 .
N . 'Nitrogen atom ' non-polymer 1 1 .
CEL . 'Carbon atom ' non-polymer 1 1 .
PER . 'PEROXIDE ION ' non-polymer 2 2 .
SM . 'SAMARIUM (III) ION ' non-polymer 1 1 .
CS . 'CESIUM ION ' non-polymer 1 1 .
MN3 . 'MANGANESE (III) ION ' non-polymer 1 1 .
CU1 . 'COPPER (I) ION ' non-polymer 1 1 .
H . 'HYDROGEN ATOM ' non-polymer 1 0 .
TL . 'THALLIUM (I) ION ' non-polymer 1 1 .
H2S . 'HYDROSULFURIC ACID ' non-polymer 3 1 .
BRO . 'BROMO GROUP ' non-polymer 1 1 .
IDO . 'IODO GROUP ' non-polymer 1 1 .
PT . 'PLATINUM (II) ION ' non-polymer 1 1 .
SI . '. ' non-polymer 1 1 .
GE . '. ' non-polymer 1 1 .
SN . '. ' non-polymer 1 1 .
BE . '. ' non-polymer 1 1 .
SC . '. ' non-polymer 1 1 .
YEL . 'Y ' non-polymer 1 1 .
NP . 'Np ' non-polymer 1 1 .
UR . '. ' non-polymer 1 1 .
CMA . '. ' non-polymer 1 1 .
CR . '. ' non-polymer 1 1 .
MO . '. ' non-polymer 1 1 .
W . '. ' non-polymer 1 1 .
AG . '. ' non-polymer 1 1 .
AU . '. ' non-polymer 1 1 .
AS . '. ' non-polymer 1 1 .
SE . '. ' non-polymer 1 1 .
HE . '. ' non-polymer 1 1 .
NE . '. ' non-polymer 1 1 .
AR . '. ' non-polymer 1 1 .
KR . '. ' non-polymer 1 1 .
GA . '. ' non-polymer 1 1 .
XE . '. ' non-polymer 1 1 .
DUM . 'dummy atom ' non-polymer 1 1 .
OLA . 'OLEIC ACID ' non-polymer 54 20 .
PLM . 'PALMITIC ACID ' non-polymer 50 18 .
5GP . 'GUANOSINE-5*-MONOPHOSPHATE ' non-polymer 38 24 .
MTX . 'METHOTREXATE ' non-polymer 55 33 .
RTL . 'RETINOL ' non-polymer 51 21 .
2GP . 'GUANOSINE-2*-MONOPHOSPHATE ' non-polymer 38 24 .
3GP . 'GUANOSINE-3*-MONOPHOSPHATE ' non-polymer 38 24 .
ADP . 'ADENOSINE-5*-DIPHOSPHATE ' non-polymer 42 27 .
2AM . 'ADENOSINE-2*-MONOPHOSPHATE ' non-polymer 37 23 .
AMP . 'ADENOSINE MONOPHOSPHATE ' non-polymer 37 23 .
ATP . 'ADENOSINE-5*-TRIPHOSPHATE ' non-polymer 47 31 .
BEN . 'BENZYLDIAMINE ' non-polymer 18 9 .
BNZ . 'BENZENE ' non-polymer 12 6 .
BTN . 'BIOTIN ' non-polymer 32 16 .
CAC . 'CACODYLATE ION ' non-polymer 11 5 .
CAM . 'CAMPHOR ' non-polymer 27 11 .
CAP . '2-CARBOXYARABINITOL-1,5-DIPHOSPHATE ' non-polymer 35 21 .
CBX . 'CARBOXY GROUP ' non-polymer 4 3 .
CBZ . 'CARBOBENZOXY GROUP ' non-polymer 17 10 .
CB3 . '10-PROPARGYL-5,8-DIDEAZAFOLIC ACID ' non-polymer 58 35 .
CIT . 'CITRIC ACID ' non-polymer 21 13 .
CMP . 'ADENOSINE-3*,5*-CYCLIC-MONOPHOSPHATE' non-polymer 34 22 .
COA . 'COENZYME A ' non-polymer 84 48 .
CO3 . 'CARBONATE ION ' non-polymer 4 4 .
DCE . '1,2-DICHLOROETHANE(ETHYLENE DICHLORI' non-polymer 8 4 .
DM1 . 'DAUNOMYCIN ' non-polymer 67 38 .
DMF . 'DIMETHYLFORMAMIDE ' non-polymer 12 5 .
DMS . 'DIMETHYL SULFOXIDE ' non-polymer 10 4 .
DMY . 'DISTAMYCIN A ' non-polymer 62 35 .
EOH . 'ETHANOL ' non-polymer 9 3 .
FAD . 'FLAVIN-ADENINE DINUCLEOTIDE ' non-polymer 86 53 .
FBP . 'FRUCTOSE-1,6-DISPHOSPHATE ' non-polymer 34 20 .
FMN . 'FLAVIN MONONUCLEOTIDE ' non-polymer 52 31 .
FMT . 'FORMIC ACID ' non-polymer 5 3 .
FOL . 'FOLIC ACID ' non-polymer 51 32 .
F6P . 'FRUCTOSE-6-PHOSPHATE ' non-polymer 29 16 .
G3P . '3-PHOSPHOGLYCEROL ' non-polymer 19 10 .
CH3 . 'METHYL GROUP ' non-polymer 4 1 .
ETH . 'ETHYL GROUP ' non-polymer 7 2 .
EDO . '1,2-ETHANEDIOL [ETHYLEN GLYCOL] ' non-polymer 4 4 .
BEZ . 'BENZOIC ACID ' non-polymer 15 9 .
ATA . '3-AMINO-1H-1,2,4-TRIAZOL ' non-polymer 11 6 .
HMD . 'heme-D ' non-polymer 75 44 .
HEC . 'heme-C ' non-polymer 75 43 .
SRM . 'SIROHEME ' non-polymer 63 63 .
PRX . 'PEROXIDE ' non-polymer 4 2 .
HEM . 'heme-(porphirin-IX) ' non-polymer 73 43 .
AZI . 'azide ' non-polymer 3 3 .
VO4 . 'Vanadate ' non-polymer 5 5 .
WO4 . 'TUNGSTATE(VI)ION ' non-polymer 5 5 .
MOH . 'Methanol ' non-polymer 6 2 .
ACN . 'Acetone ' non-polymer 10 4 .
FEO . 'mu-oxo-diiron ' non-polymer 3 3 .
GDP . 'GUANOSINE-5*-DIPHOSPHATE ' non-polymer 43 28 .
GTP . 'GUANOSINE-5*-TRIPHOSPHATE ' non-polymer 48 32 .
HT . 'HOECHST 33258 ' non-polymer 58 32 .
ICT . 'ISOCITRIC ACID ' non-polymer 21 13 .
IMD . 'IMIDAZOLE ' non-polymer 10 5 .
IMP . 'INOSINE-5*-MONOPHOSPHATE ' non-polymer 36 23 .
IPA . 'ISOPROPYL ALCOHOL ' non-polymer 12 4 .
LDA . 'LAURYL DIMETHYLAMINE-OXIDE ' non-polymer 48 16 .
MES . 'N-(EHTYLSULFITE)MORPHOLINE ' non-polymer 26 12 .
MPD . '2-METHYL-2,4-PENTANEDIOL ' non-polymer 22 8 .
MYR . 'MYRISTIC ACID ' non-polymer 44 16 .
NAD . 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE ' non-polymer 71 44 .
NAP . 'NADP NICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer 76 48 .
NDP . 'NADPH DIHYDRO-NICOTINAMIDE-ADENINE-D' non-polymer 78 48 .
NT . 'NETROPSIN ' non-polymer 57 31 .
OAA . 'OXALOACETATE ION ' non-polymer 12 9 .
OXM . 'OXAMIC ACID ' non-polymer 9 6 .
PGA . '2-PHOSPHOGLYCOLIC ACID ' non-polymer 14 9 .
PGH . 'PHOSPHOGLYCOLOHYDROXAMIC ACID ' non-polymer 16 10 .
PLP . 'PYRIDOXAL-5*-PHOSPHATE ' non-polymer 26 16 .
PMP . '4*-DEOXY-4*-AMINOPYRIDOXAL-5*-PHOSPH' non-polymer 29 16 .
PYR . 'PYRUVIC ACID ' non-polymer 10 6 .
RET . 'RETINAL ' non-polymer 49 21 .
SOR . 'D-SORBITOL ' non-polymer 26 12 .
SPH . 'SPHINGOSINE ' non-polymer 58 21 .
SPM . 'SPERMINE ' non-polymer 40 14 .
THP . 'THYMIDINE-3*,5*-DIPHOSPHATE ' non-polymer 41 25 .
TRS . 'TROMETHAMINE ' non-polymer 19 8 .
UFP . '5-FLUORO-2*-DEOXYURIDINE-5*-MONOPHOS' non-polymer 33 21 .
UMP . '2*-DEOXYURIDINE 5*-MONOPHOSPHATE ' non-polymer 33 20 .
BCT . 'BICARBONATE ION ' non-polymer 5 4 .
ACT . 'ACETATE ION ' non-polymer 7 4 .
PXZ . '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer 34 22 .
AHG . '2,5-ANHYDROGLUCITOL-1,6-DIPHOSPHATE ' non-polymer 31 19 .
GOL . 'GLYCEROL ' non-polymer 14 6 .
HCA . '3-HYDROXY-3-CARBOXY-ADIPIC ACID ' non-polymer 24 14 .
DAN . '2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMI' non-polymer 37 20 .
SIN . 'SUCCINIC ACID ' non-polymer 14 8 .
GPS . '(9S,10S)-9-(S-GLUTATHIONYL)-20-HYDRO' non-polymer 62 35 .
FK5 . 'ASCOMYCIN ' non-polymer 126 57 .
CTP . 'CYTIDINE-5*-TRIPHOSPHATE ' non-polymer 45 29 .
OME . 'METHOXY GROUP ' non-polymer 5 2 .
AP5 . 'BIS(ADENOSINE)-5*-PENTAPHOSPHATE ' non-polymer 86 57 .
MAE . 'MALEIC ACID ' non-polymer 12 8 .
MLT . 'MALATE ION ' non-polymer 14 9 .
GTT . 'GLUTATHIONE ' non-polymer 37 20 .
NBN . 'N-BUTYL ISOCYANIDE ' non-polymer 15 6 .
PTL . 'PENTANAL ' non-polymer 16 6 .
TOS . 'P-SULFINOTOLUENE ' non-polymer 18 10 .
GNP . '5*-GUANOSYL-IMIDO-TRIPHOSPHATE ' non-polymer 46 32 .
TPP . 'THIAMIN DIPHOSPHATE ' non-polymer 45 26 .
AZM . '5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULF' non-polymer 19 13 .
REA . 'RETINOIC ACID ' non-polymer 50 22 .
FES . 'FE2/S2 (INORGANIC) CLUSTER ' non-polymer 4 4 .
FS3 . 'FE3-S4 CLUSTER ' non-polymer 7 7 .
FS4 . 'IRON/SULFUR CLUSTER ' non-polymer 8 8 .
F3S . 'FE3-S4 CLUSTER ' non-polymer 7 7 .
CLF . 'FE(8)-S(7) CLUSTER ' non-polymer 15 15 .
MO4 . 'MAGNESIUM ION, 4 WATERS COORDINATED ' non-polymer 13 5 .
MO5 . 'MAGNESIUM ION, 5 WATERS COORDINATED ' non-polymer 16 6 .
MO6 . 'MAGNESIUM ION, 6 WATERS COORDINATED ' non-polymer 19 7 .
TML . 'METHYL PART OF N-TRIMETHYLLYSINE ' non-polymer 12 3 .
CFM . 'FE-MO-S CLUSTER ' non-polymer 17 17 .
NCO . 'COBALT HEXAMMINE ION ' non-polymer 25 7 .
XUL . 'D-XYLULOSE ' non-polymer 20 10 .
PHB . 'P-HYDROXYBENZOIC ACID ' non-polymer 16 10 .
UDP . 'URIDINE-5*-DIPHOSPHATE ' non-polymer 39 25 .
DCT . '2*,3*-DIDEOXYCYTIDINE 5*-TRIPHOSPHAT' non-polymer 43 27 .
GSP . 'GUANOSINE DIPHOSPHATE MONOTHIOPHOSPH' non-polymer 48 32 .
C8E . '(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE' non-polymer 55 21 .
GTX . 'S-HEXYLGLUTATHIONE ' non-polymer 55 26 .
BCL . 'BACTERIOCHLOROPHYLL A ' non-polymer 140 66 .
BPH . 'BACTERIOPHEOPHYTIN A ' non-polymer 141 65 .
U10 . 'UBIQUINONE-10 ' non-polymer 153 63 .
INH . 'N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHE' non-polymer 70 35 .
EQP . '(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-A' non-polymer 40 21 .
ALF . 'TETRAFLUOROALUMINATE ION ' non-polymer 5 5 .
SGN . 'N,O6-DISULFO-GLUCOSAMINE ' non-polymer 33 20 .
BME . 'BETA-MERCAPTOETHANOL ' non-polymer 10 4 .
PHS . 'PHOSPHONO GROUP ' non-polymer 6 4 .
HED . '2-HYDROXYETHYL DISULFIDE ' non-polymer 18 8 .
DDF . '5,10-DIDEAZAFOLIC ACID ' non-polymer 53 32 .
POP . 'PYROPHOSPHATE 2- ' non-polymer 13 9 .
B12 . 'COBALAMIN ' non-polymer 95 91 .
NGM . 'NOGALAMYCIN ' non-polymer 105 56 .
EPE . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHA' non-polymer 33 15 .
HPA . 'HYPOXANTHINE ' non-polymer 14 10 .
IPH . 'PHENOL ' non-polymer 13 7 .
ACY . 'ACETIC ACID ' non-polymer 8 4 .
DMP . 'DMP323(INHIBITOR) ' non-polymer 80 42 .
GAC . 'DIHYDRO-ACARBOSE ' non-polymer 90 44 .
U0E . 'U89360E ' non-polymer 94 42 .
EST . 'ESTRADIOL ' non-polymer 23 20 .
UPG . 'URIDINE-5*-DIPHOSPHATE-GLUCOSE ' non-polymer 39 36 .
TTP . '2*-deoxy-thymidine-5*-tryphosphate ' non-polymer 31 29 .
DTT . '2,3-DIHYDROXY-1,4-DITHIOBUTANE ' non-polymer 18 8 .
DTT_oxd . '2,3-DIHYDROXY-1,4-DITHIOBUTANE (oxd)' non-polymer 16 8 .
061 061 '2-BUTYL-6-HYDROXY-3-[2"-(1H-TETRAZOL' non-polymer 58 34 M
072 072 '(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)B' non-polymer 90 44 M
100 100 '1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(' non-polymer 28 20 M
101 101 '3"-MONOPHOSPHAT ' non-polymer 36 22 M
102 102 'GAMMA-DEOXY-GAMMA-SULFO-GUANOSINE-5"' non-polymer 48 32 M
103 103 '3"-MONOPHOSPHAT ' non-polymer 35 21 M
104 104 'N,N"-BIS(2-AMINOETHYL)-1,2-ETHANEDIA' non-polymer 28 10 M
13P 13P '1,3-DIHYDROXYACETONEPHOSPHATE ' non-polymer 17 10 M
146 146 '[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3' non-polymer 106 62 M
15P 15P 'POLYETHYLENE GLYCOL (N=34) ' non-polymer 244 104 M
1AP 1AP '2,6-DIAMINOPURINE NUCLEOTIDE ' non-polymer 38 23 M
1AR 1AR '4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-AL' non-polymer 30 14 M
1BH 1BH 'N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-' non-polymer 67 34 M
1C5 1C5 '[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GL' non-polymer 80 41 M
1CU 1CU 'COPPER ION, 1 WATER COORDINATED ' non-polymer 4 2 M
1DA 1DA '1-DEAZA-ADENOSINE ' non-polymer 33 19 M
1GL 1GL '4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALAC' non-polymer 25 11 M
1GN 1GN '2-DEOXY-2-AMINOGALACTOSE ' non-polymer 25 12 M
1IN 1IN '1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-C' non-polymer 96 45 M
1MC 1MC '1-METHYLCYTOSINE ' non-polymer 16 9 M
1MG 1MG '1N-METHYLGUANOSINE-5"-MONOPHOSPHATE ' non-polymer 41 25 M
1MZ 1MZ '1-METHYLIMIDAZOLE ' non-polymer 13 6 M
1NB 1NB '2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENA' non-polymer 28 12 M
1NI 1NI '4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-Y' non-polymer 116 58 M
1PA 1PA 'PHENYLMETHYLACETIC ACID ALANINE ' non-polymer 29 16 M
1PC 1PC '1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE ' non-polymer 43 18 M
1PG 1PG '2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY' non-polymer 41 17 M
1PI 1PI '3-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-L' non-polymer 33 15 M
1PN 1PN '(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM' non-polymer 37 20 M
1PY 1PY '2-OXO-3-PHENYLPROPIONIC ACID ' non-polymer 20 12 M
1UN 1UN '2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-B' non-polymer 85 40 M
216 216 '[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYD' non-polymer 60 30 M
24T 24T '2-AMINO-4-METHYLTHIAZOLE ' non-polymer 13 7 M
25T 25T '2-AMINO-5-METHYLTHIAZOLE ' non-polymer 14 7 M
26P 26P '2-AMINO-6-OXOPIMELIC ACID ' non-polymer 24 13 M
2AB 2AB '4-(2-AMINOETHYL)BENZENESULFONIC ACID' non-polymer 23 12 M
2AN 2AN '1-ANILINO-8-NAPHTHALENE SULFONATE ' non-polymer 34 21 M
2AP 2AP '2-AMINOPYRIDINE ' non-polymer 14 7 M
2AS 2AS 'BETA-METHYL-ASPARTIC ACID ' non-polymer 19 10 M
2BL 2BL '(3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-' non-polymer 35 20 M
2CP 2CP '2-CARBOXYPROPYL-COENZYME A ' non-polymer 96 54 M
2DA 2DA '2",3"-DIDEOXYADENOSINE-5"-MONOPHOSPH' non-polymer 35 21 M
2DP 2DP '3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHO' non-polymer 158 60 M
2DT 2DT '3"-DEOXYTHYMIDINE-5"-MONOPHOSPHATE ' non-polymer 35 20 M
2EP 2EP '2-ETHYLPIPERIDINE ' non-polymer 23 8 M
2EZ 2EZ '2-ETHYLIMIDAZOLE ' non-polymer 15 7 M
2FP 2FP '1,6-FRUCTOSE DIPHOSPHATE (LINEAR FOR' non-polymer 34 20 M
2FU 2FU 'BUT-2-ENEDIAL ' non-polymer 10 6 M
2GL 2GL '4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALAC' non-polymer 27 13 M
2HP 2HP 'DIHYDROGENPHOSPHATE ION ' non-polymer 7 5 M
2IB 2IB '2-IODOBENZYL GROUP ' non-polymer 14 8 M
2MA 2MA '2-METHYLADENOSINE-5"-MONOPHOSPHATE ' non-polymer 40 24 M
2MD 2MD 'MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3' non-polymer 75 47 M
2ME 2ME 'METHOXYETHYL ' non-polymer 11 4 M
2MO 2MO 'MOLYBDENUM (IV)OXIDE ION ' non-polymer 3 3 M
2MZ 2MZ '2-METHYLIMIDAZOLE ' non-polymer 12 6 M
2NO 2NO 'NITROGEN DIOXIDE ' non-polymer 3 3 M
2OG 2OG '2-OXO-GLUTARIC ACID ' non-polymer 16 10 M
2PA 2PA 'DIAMIDOPHOSPHATE ' non-polymer 10 5 M
2PE 2PE 'NONAETHYLENE GLYCOL ' non-polymer 66 28 M
2PG 2PG '2-PHOSPHOGLYCERIC ACID ' non-polymer 18 11 M
2PH 2PH '[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-P' non-polymer 33 22 M
2PL 2PL 'PHOSPHOGLYCOLIC ACID ' non-polymer 14 9 M
2PP 2PP '2-PROPYL-PENTANOIC ACID ' non-polymer 26 10 M
2TB 2TB '1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHE' non-polymer 27 11 M
345 345 '4-[4-(4-CHLORO-PHENOXY)-BENZENESULFO' non-polymer 48 28 M
35G 35G 'GUANOSINE-3",5"-MONOPHOSPHATE ' non-polymer 35 23 M
3AP 3AP '3-AMINOPYRIDINE ' non-polymer 14 7 M
3CN 3CN '3-AMINOPROPYL ' non-polymer 12 4 M
3CP 3CP '3-CARBOXYPROPYL-COENZYME A ' non-polymer 96 54 M
3DR 3DR '1",2"-DIDEOXYRIBOFURANOSE-5"-PHOSPHA' non-polymer 23 12 M
3FM 3FM '3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSID' non-polymer 28 15 M
3GA 3GA '3-PIPERIDYL-N-GUANIDINO-L-ALANINE ' non-polymer 33 15 M
3HB 3HB '3-HYDROXYBENZOIC ACID ' non-polymer 16 10 M
3HP 3HP '3-HYDROXYPHENYLACETATE ' non-polymer 19 11 M
3IB 3IB '3-INDOLEBUTYRIC ACID ' non-polymer 28 15 M
3IN 3IN 'N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R' non-polymer 106 51 M
3MA 3MA '6-AMINO-3-METHYLPURINE ' non-polymer 19 11 M
3MB 3MB '3-METHYLBENZAMIDE ' non-polymer 20 11 M
3MC 3MC '3-METHYLCYTOSINE ' non-polymer 17 9 M
3MF 3MF '3-O-METHYLFRUCTOSE IN LINEAR FORM ' non-polymer 27 13 M
3MP 3MP '3-METHYLPYRIDINE ' non-polymer 14 7 M
3MT 3MT '3-METHYLTHIAZOLIUM ION ' non-polymer 12 6 M
3PG 3PG '3-PHOSPHOGLYCERIC ACID ' non-polymer 18 11 M
3PO 3PO 'TRIPHOSPATE ' non-polymer 18 13 M
3PY 3PY '3-HYDROXYPYRUVIC ACID ' non-polymer 11 7 M
450 450 '{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer 78 40 M
478 478 '{3-[(4-AMINO-BENZENESULFONYL)-ISOBUT' non-polymer 70 35 M
4AB 4AB '2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-' non-polymer 33 17 M
4AM 4AM '4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAM' non-polymer 38 20 M
4AN 4AN '6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DI' non-polymer 24 16 M
4AP 4AP '4-AMINOPYRIDINE ' non-polymer 14 7 M
4HP 4HP '4-HYDROXYPHENYLACETATE ' non-polymer 19 11 M
4IP 4IP 'INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE' non-polymer 44 28 M
4MZ 4MZ '4-METHYLIMIDAZOLE ' non-polymer 12 6 M
4NC 4NC '4-NITROCATECHOL ' non-polymer 16 11 M
4PB 4PB 'N-HYDROXY-4-PHOSPHONO-BUTANAMIDE ' non-polymer 19 11 M
4PP 4PP '(2S)-(3"-AMIDINO-3-BIPHENYL)-5-(4-PY' non-polymer 53 29 M
4SC 4SC '4"-THIO-2"-DEOXYCYTIDINE-5"-MONOPHOS' non-polymer 37 20 M
4SU 4SU '4-THIOURIDINE-5"-MONOPHOSPHATE ' non-polymer 34 21 M
4TB 4TB '4-(2-THIENYL)BUTYRIC ACID ' non-polymer 21 11 M
577 577 '4-[5-(4-FLUORO-PHENYL)-2-[4-METHANES' non-polymer 43 27 M
587 587 'C32-O-(1-METHYL-INDOL-5-YL) 18-HYDRO' non-polymer 143 67 M
5AD 5AD '5"-DEOXYADENOSINE ' non-polymer 31 18 M
5AT 5AT '5"-AMINO-5"-DEOXYTHYMIDINE ' non-polymer 32 17 M
5CM 5CM '5-METHYL-2"-DEOXY-5"-CYTIDYLIC ACID ' non-polymer 37 21 M
5IT 5IT '5-IODO-THYMIDINE-5"-PHOSPHATE ' non-polymer 33 21 M
5IU 5IU '5-IODO-2"-DEOXYURIDINE-5"-MONOPHOSPH' non-polymer 33 21 M
5NC 5NC '5-AZA-CYTIDINE-5"MONOPHOSPHATE ' non-polymer 33 20 M
5PA 5PA 'N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer 39 22 M
5PV 5PV '5-PHENYLVALERIC ACID ' non-polymer 27 13 M
638 638 '[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3' non-polymer 92 54 M
6CT 6CT 'MONO-[5-HYDROXYMETHYL-2-METHYL-3-THY' non-polymer 39 21 M
6MP 6MP '6-METHYLPURINE ' non-polymer 16 10 M
6PG 6PG '6-PHOSPHOGLUCONIC ACID ' non-polymer 30 17 M
7MQ 7MQ 'MENAQUINONE-7 (ALTERED) ' non-polymer 112 48 M
818 818 '18-HYDROXYASCOMYCIN ' non-polymer 126 57 M
846 846 '[4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCL' non-polymer 79 43 M
858 858 'C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN ' non-polymer 145 67 M
8BR 8BR '8-BROMO-ADENOSINE-5"-MONOPHOSPHATE ' non-polymer 37 24 M
8IG 8IG '8-IODO-GUANINE ' non-polymer 16 12 M
961 961 '3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TET' non-polymer 55 29 M
9AD 9AD '9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)AC' non-polymer 43 23 M
9DI 9DI '9-DEAZAINOSINE ' non-polymer 32 19 M
A15 A15 '3"-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE' non-polymer 44 30 M
A23 A23 'ADENOSINE-5"-PHOSPHATE-2",3"-CYCLIC ' non-polymer 39 26 M
A2G A2G 'N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE ' non-polymer 30 15 M
A2P A2P 'ADENOSINE-2"-5"-DIPHOSPHATE ' non-polymer 42 27 M
A3P A3P 'ADENOSINE-3"-5"-DIPHOSPHATE ' non-polymer 42 27 M
A70 A70 '(2S)-2-[(3R)-3-BENZYL-4-N-(4-METHYLP' non-polymer 123 53 M
A76 A76 'N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-' non-polymer 116 58 M
A77 A77 'N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-' non-polymer 116 58 M
A78 A78 'N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-' non-polymer 117 57 M
A79 A79 'N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-' non-polymer 116 58 M
A80 A80 'N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-N' non-polymer 49 26 M
A85 A85 'N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDRO' non-polymer 116 60 M
A88 A88 '(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXY' non-polymer 80 43 M
A9A A9A '1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VA' non-polymer 144 72 M
AAA AAA '(2-ACETYL-5-METHYLANILINO)(2,6-DIBRO' non-polymer 39 23 M
AAB AAB '2-DEOXY-5-PHOSPHORIBOSE GROUP ' non-polymer 22 12 M
AAC AAC 'ACETYLAMINO-ACETIC ACID ' non-polymer 15 8 M
AAH AAH '1-[N-4"-NITROBENZYL-N-4"-CARBOXYBUTY' non-polymer 42 23 M
AAN AAN '2-(4-NITROPHENYL)ACETIC ACID ' non-polymer 20 13 M
AAP AAP 'ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-' non-polymer 39 23 M
AAR AAR 'ARGININEAMIDE ' non-polymer 28 12 M
AAS AAS '3-ACTOXYMERCURI-4-AMINOBENZENESULFON' non-polymer 26 16 M
ABC ABC 'MODIFIED ACARBOSE HEXASACCHARIDE ' non-polymer 127 64 M
ABH ABH '2(S)-AMINO-6-BORONOHEXANOIC ACID ' non-polymer 28 13 M
ABN ABN 'BENZYLAMINE ' non-polymer 17 8 M
ABP ABP '8-BROMOADENOSINE-5"-DIPHOSPHATE ' non-polymer 42 28 M
ABU ABU 'GAMMA-AMINO-BUTANOIC ACID ' non-polymer 16 7 M
AC2 AC2 '9-HYROXYETHOXYMETHYLGUANINE ' non-polymer 27 16 M
ACA ACA '6-AMINOHEXANOIC ACID ' non-polymer 22 9 M
ACD ACD 'ARACHIDONIC ACID ' non-polymer 54 22 M
ACH ACH 'ACETYLCHOLINE ' non-polymer 26 10 M
ACI ACI '6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-E' non-polymer 25 12 M
ACM ACM 'ACETAMIDE ' non-polymer 9 4 M
ACO ACO 'ACETYL COENZYME *A ' non-polymer 89 51 M
ACP ACP 'PHOSPHOMETHYLPHOSPHONIC ACID ADENYLA' non-polymer 49 31 M
ACR ACR 'ACARBOSE ' non-polymer 87 44 M
ACV ACV 'L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-V' non-polymer 49 24 M
ACX ACX 'ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOS' non-polymer 126 66 M
ADC ADC '(1"R,2"S)-9-(2-HYDROXY-3"-KETO-CYCLO' non-polymer 28 17 M
ADE ADE 'ADENINE ' non-polymer 15 10 M
ADG ADG 'O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRAN' non-polymer 26 12 M
ADM ADM 'ADAMANTANE ' non-polymer 26 10 M
ADN ADN 'ADENOSINE ' non-polymer 32 19 M
ADR ADR '2,6-DIAMINO-2,3,6-TRIDEOXY-ALPHA-D-R' non-polymer 24 10 M
ADS ADS 'ADENOSINE-5'-(DITHIO)PHOSPHATE ' non-polymer 37 23 M
ADT ADT '3"-DEOXY-3"-ACETAMIDO-THYMIDINE ' non-polymer 37 20 M
ADU ADU '3"-DEOXY-3"-ACETAMIDO-URIDINE ' non-polymer 35 20 M
ADW ADW 'ADENOSINE-5"-DITUNGSTATE ' non-polymer 42 27 M
AE2 AE2 'AETIOCHOLANOLONE ' non-polymer 51 21 M
AEB AEB 'AERUGINOSIN 98-B ' non-polymer 91 45 M
AEI AEI 'THREONINE-ASPARTIC ESTER ' non-polymer 32 16 M
AEN AEN '5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHY' non-polymer 37 21 M
AET AET 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' non-polymer 57 34 M
AF AF '2-AMINOFLUORENE ' non-polymer 25 14 M
AF1 AF1 '4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-TR' non-polymer 45 22 M
AF3 AF3 'ALUMINUM FLUORIDE ' non-polymer 4 4 M
AFA AFA 'N-(1-OXO-7-METHYLOCTADIEN-2,3-4,5-YL' non-polymer 39 19 M
AFP AFP 'ALPHA FRUCTOSE 1,6-DIPHOSPHATE ' non-polymer 34 20 M
AG7 AG7 '4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(' non-polymer 84 43 M
AGF AGF 'O-(((1R)-((N-(PHENYL-METHOXY-CARBONY' non-polymer 57 32 M
AGL AGL '4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE ' non-polymer 24 11 M
AGM AGM '4-METHYL-ARGININE ' non-polymer 30 13 M
AGN AGN 'PHOSPHOAMINOPHOSPHONIC ACID 3"-O-(N-' non-polymer 65 41 M
AGP AGP '2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE' non-polymer 32 16 M
AGS AGS 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE' non-polymer 47 31 M
AGU AGU 'AMINOGUANIDINE ' non-polymer 11 5 M
AH0 AH0 '2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA' non-polymer 36 19 M
AH1 AH1 'AHA001 ' non-polymer 74 40 M
AHA AHA '6-AMINO HEXANOIC ACID ' non-polymer 22 9 M
AHB AHB 'BETA-HYDROXYASPARAGINE ' non-polymer 18 10 M
AHC AHC '4-AMINOHYDROCINNAMIC ACID ' non-polymer 23 12 M
AHH AHH 'AMINO-HYDROXYHEPTANOIC ACID ' non-polymer 26 11 M
AHM AHM '2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE ' non-polymer 33 19 M
AHS AHS '(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTY' non-polymer 50 20 M
AHU AHU '1",5"-ANHYDRO-2",3"-DIDEOXY-2"-(5-IO' non-polymer 31 18 M
AHX AHX 'SERYL-HYDROXAMATE-ADENOSINE MONOPHOS' non-polymer 50 30 M
AIB AIB 'ALPHA-AMINOISOBUTYRIC ACID ' non-polymer 16 7 M
AIP AIP 'ANTIPAIN ' non-polymer 87 43 M
AIR AIR 'N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOT' non-polymer 33 19 M
AJ3 AJ3 '3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-' non-polymer 19 9 M
AKG AKG '2-OXYGLUTARIC ACID ' non-polymer 16 10 M
AL1 AL1 '3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-' non-polymer 37 23 M
AL2 AL2 '3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPH' non-polymer 38 24 M
AL3 AL3 '3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMET' non-polymer 34 22 M
AL4 AL4 '(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-ME' non-polymer 41 22 M
AL5 AL5 'THIOPHENE-2,5-DISULFONIC ACID 2-AMID' non-polymer 35 21 M
AL6 AL6 '2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E' non-polymer 35 23 M
AL7 AL7 '(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer 42 25 M
AL8 AL8 '(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer 42 25 M
AL9 AL9 'N-[(4-METHOXYPHENYL)METHYL]2,5-THIOP' non-polymer 36 22 M
ALD ALD 'CARBOBENZYLOXYLEUCINYL-LEUCINYL-LEUC' non-polymer 77 34 M
ALE ALE 'ADR L-EPINEPHRINE ' non-polymer 26 13 M
ALG ALG 'GUANIDINOBUTYRYL GROUP ' non-polymer 19 9 M
ALL ALL 'D-ALLOPYRANOSE ' non-polymer 24 12 M
ALM ALM '3-AMINO-BUTAN-2-ONE ' non-polymer 15 6 M
ALN ALN 'NAPHTHALEN-2-YL-3-ALANINE ' non-polymer 29 16 M
ALO ALO 'ALLO-THREONINE ' non-polymer 17 8 M
ALP ALP '2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DI' non-polymer 31 16 M
ALR ALR 'ALRESTATIN ' non-polymer 28 19 M
ALS ALS '2-AMINO-3-OXO-4-SULFO-BUTYRIC ACID ' non-polymer 17 12 M
ALT ALT 'THIOALANINE ' non-polymer 13 6 M
ALZ ALZ 'BENZYL ' non-polymer 50 24 M
AMA AMA '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 44 25 M
AMC AMC 'AMINOMETHYLCYCLOHEXANE ' non-polymer 24 8 M
AMD AMD 'ASPARTYL-2"-DEOXY-ADENOSINE-5"-MONOP' non-polymer 49 30 M
AMG AMG 'ALPHA-METHYL-D-GALACTOSIDE ' non-polymer 27 13 M
AMH AMH 'TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CAR' non-polymer 26 11 M
AMI AMI 'ALLOSAMIZOLINE ' non-polymer 31 15 M
AMN AMN '9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETY' non-polymer 44 22 M
AMS AMS '3-MERCURI-4-AMINOBENZENESULFONAMIDE ' non-polymer 19 12 M
AMU AMU 'N-ACETYLMURAMIC ACID ' non-polymer 39 20 M
AMW AMW 'ADENOSINE MONOTUNGSTATE ' non-polymer 37 23 M
AMX AMX 'AMIDOCARBOXYMETHYLDETHIA COENZYME *A' non-polymer 90 51 M
AMY AMY 'ANTIMYCIN ' non-polymer 76 38 M
ANA ANA '4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETY' non-polymer 48 25 M
AND AND '3-BETA-HYDROXY-5-ANDROSTEN-17-ONE ' non-polymer 49 21 M
ANE ANE 'ADENINE ' non-polymer 15 10 M
ANL ANL 'ANILINE ' non-polymer 14 7 M
ANO ANO '5-BETA-ANDROSTANE-3,17-DIONE ' non-polymer 49 21 M
ANP ANP 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLAT' non-polymer 48 31 M
ANS ANS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer 30 17 M
ANT ANT 'ANTHRAMYCIN ' non-polymer 40 23 M
AOP AOP 'PENTYLOXYAMINO-ACETALDEHYDE ' non-polymer 25 10 M
AP AP 'N-1-AMINOPYRENE ' non-polymer 28 17 M
AP1 AP1 '{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1' non-polymer 97 50 M
AP2 AP2 'PHOSPHOMETHYLPHOSPHONIC ACID ADENOSY' non-polymer 44 27 M
AP3 AP3 '2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROP' non-polymer 37 18 M
APA APA 'AMIDO PHENYL PYRUVIC ACID ' non-polymer 25 15 M
APB APB 'M-AMINOPHENYLBORONIC ACID ' non-polymer 18 10 M
APC APC 'DIPHOSPHOMETHYLPHOSPHONIC ACID ADENO' non-polymer 49 31 M
APE APE 'MODIFIED PHENYLALANINE ' non-polymer 25 13 M
APF APF '1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL' non-polymer 30 18 M
APG APG 'ATROLACTIC ACID (2-PHENYL-LACTIC ACI' non-polymer 22 12 M
APH APH 'P-AMIDINOPHENYL-3-ALANINE ' non-polymer 28 15 M
API API '2,6-DIAMINOPIMELIC ACID ' non-polymer 27 13 M
APM APM 'M-AMIDINOPHENYL-3-ALANINE ' non-polymer 28 15 M
APN APN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 37 21 M
APP APP '1-ACETYL-2-CARBOXYPIPERIDINE ' non-polymer 25 12 M
APR APR 'ADENOSINE-5-DIPHOSPHORIBOSE ' non-polymer 59 36 M
APT APT '2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-M' non-polymer 36 23 M
APU APU 'ADENYLYL-3"-5"-PHOSPHO-URIDINE-3"-MO' non-polymer 68 43 M
APY APY '2-AMINOMETHYL-PYRIDINE ' non-polymer 16 8 M
AQS AQS 'N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINO' non-polymer 53 28 M
AR1 AR1 '(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-' non-polymer 63 35 M
ARA ARA 'ALPHA-L-ARABINOSE ' non-polymer 20 10 M
ARC ARC '3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL' non-polymer 63 21 M
ARI ARI '[O4]-ACETOXY-2,3-DIDEOXYFUCOSE ' non-polymer 26 12 M
ARM ARM 'DEOXY-METHYL-ARGININE ' non-polymer 28 12 M
ARN ARN '1-IMINO-5-PENTANONE ' non-polymer 16 7 M
ARQ ARQ 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROX' non-polymer 75 37 M
AS1 AS1 'NAG(A)-NAG(B)-GLC(C)-GLC(D)-GLC(G) ' non-polymer 119 61 M
AS2 AS2 'NAG(A)-NAG(B)-GLC(C)=GLC(D)-GLC(E)-G' non-polymer 182 94 M
ASC ASC 'ASCORBIC ACID ' non-polymer 20 12 M
ASE ASE 'N-ACETYL SEROTONIN ' non-polymer 30 16 M
ASG ASG '2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE' non-polymer 34 19 M
ASK ASK 'DEHYDROXYMETHYLASPARTIC ACID ' non-polymer 18 9 M
ASL ASL 'ASPARTIC ACID-4-CARBOXYETHYL ESTER ' non-polymer 25 14 M
ASM ASM 'ASPARTIC ACID-4-CARBOXYMETHYL ESTER ' non-polymer 22 13 M
ASO ASO '1,5-ANHYDROSORBITOL ' non-polymer 23 11 M
ASQ ASQ 'PHOSPHOASPARTATE ' non-polymer 21 13 M
ASX ASX 'ASP/ASN AMBIGUOUS ' non-polymer 8 8 M
ATC ATC '9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-' non-polymer 67 37 M
ATF ATF 'PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID' non-polymer 49 33 M
ATG ATG 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE' non-polymer 47 31 M
ATH ATH '4-HYDROXY-ACONITATE ION ' non-polymer 16 13 M
ATM ATM '3"-AZIDO-3"-DEOXYTHYMIDINE-5"-MONOPH' non-polymer 37 23 M
ATR ATR '2"-MONOPHOSPHOADENOSINE-5"-DIPHOSPHA' non-polymer 47 31 M
ATT ATT '2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2' non-polymer 37 22 M
ATZ ATZ '2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMI' non-polymer 28 14 M
AUC AUC 'GOLD (I) CYANIDE ION ' non-polymer 5 5 M
AUR AUR 'AUROVERTIN B ' non-polymer 65 33 M
AXP AXP '4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BE' non-polymer 41 21 M
AYA AYA 'N-ACETYLALANINE ' non-polymer 18 9 M
AZA AZA '8-AZAXANTHINE ' non-polymer 14 11 M
AZD AZD '3"-AZIDO-3"-DEOXYTHYMIDINE-5"-DIPHOS' non-polymer 42 27 M
AZE AZE 'ALL-TRANS AXEROPHTHENE ' non-polymer 50 20 M
AZL AZL '1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINO' non-polymer 63 30 M
AZT AZT '3"-AZIDO-3"-DEOXYTHYMIDINE-5"-TRIPHO' non-polymer 47 31 M
B3I B3I '2,3,5-TRIIODOBENZOIC ACID ' non-polymer 15 12 M
B3P B3P '2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-' non-polymer 45 19 M
B7G B7G 'HEPTYL-BETA-D-GLUCOPYRANOSIDE ' non-polymer 45 19 M
BA1 BA1 'BALANOL ' non-polymer 66 40 M
BAA BAA '(TERT-BUTYLOXYCARBONYL)-ALANYL-ALANY' non-polymer 39 18 M
BAB BAB 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE' non-polymer 41 25 M
BAC BAC 'N-(4-IODO-BENZYL)-FORMAMIDE ' non-polymer 19 11 M
BAF BAF '(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO' non-polymer 39 18 M
BAO BAO 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer 40 26 M
BAP BAP '1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROB' non-polymer 39 23 M
BAR BAR '8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-' non-polymer 28 16 M
BAT BAT '4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2' non-polymer 63 32 M
BAY BAY 'N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHY' non-polymer 162 80 M
BAZ BAZ 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE' non-polymer 42 26 M
BBA BBA '2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLO' non-polymer 56 28 M
BCA BCA '4-HYDROXYBENZOYL COENZYME A ' non-polymer 97 57 M
BCB BCB 'BACTERIOCHLOROPHYLL B ' non-polymer 138 66 M
BCC BCC '6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO-IND' non-polymer 40 20 M
BCD BCD 'BETA-CYCLODEXTRIN ' non-polymer 147 77 M
BCN BCN 'BICINE ' non-polymer 24 11 M
BCS BCS 'BENZYLCYSTEINE ' non-polymer 27 14 M
BCY BCY 'CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZAN' non-polymer 29 14 M
BDA BDA '4-METHYLBENZYL-N-BIS[DAUNOMYCIN] ' non-polymer 148 84 M
BDG BDG 'O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GL' non-polymer 26 12 M
BDK BDK '2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-D' non-polymer 67 37 M
BDM BDM 'BRODIMOPRIM-4,6-DICARBOXYLATE ' non-polymer 55 31 M
BDN BDN 'BENZAMIDINE ' non-polymer 17 9 M
BDR BDR 'BETA-D-RIBOFURANOSYL ' non-polymer 20 10 M
BE2 BE2 '2-AMINOBENZOIC ACID ' non-polymer 17 10 M
BEA BEA '5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOT' non-polymer 21 13 M
BEF BEF 'BERYLLIUM TRIFLUORIDE ION ' non-polymer 4 4 M
BEO BEO 'BUTENOIC ACID ' non-polymer 12 6 M
BET BET 'TRIMETHYL GLYCINE ' non-polymer 20 8 M
BF2 BF2 'BERYLLIUM DIFLUORIDE ' non-polymer 3 3 M
BFP BFP 'BETA FRUCTOSE 1,6-DIPHOSPHATE ' non-polymer 34 20 M
BFS BFS 'N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO ' non-polymer 33 20 M
BGF BGF '2,5-BIS(4-GUANYLPHENYL)FURAN ' non-polymer 41 23 M
BGL BGL 'B-2-OCTYLGLUCOSIDE ' non-polymer 48 20 M
BGP BGP 'BETA-GALACTOSE-6-PHOSPHATE ' non-polymer 29 16 M
BH4 BH4 'TETRAHYDROBIOPTERI ' non-polymer 32 17 M
BHA BHA '2-HYDROXY-4-AMINOBENZOIC ACID ' non-polymer 18 11 M
BHC BHC 'BENZENE HEXACARBOXYLIC ACID ' non-polymer 30 24 M
BHD BHD 'BETA-HYDROXYASPARTIC ACID ' non-polymer 17 10 M
BHO BHO 'BENZHYDROXAMIC ACID ' non-polymer 17 10 M
BIC BIC '3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0' non-polymer 39 20 M
BIN BIN '2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-' non-polymer 49 28 M
BIO BIO 'BIOPTERIN ' non-polymer 28 17 M
BIP BIP '2-BENZYL-3-IODOPROPANOIC ACID ' non-polymer 24 13 M
BIS BIS '1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOS' non-polymer 61 39 M
BIZ BIZ 'BIZELESIN ' non-polymer 94 56 M
BLA BLA 'BILIVERDINE IX ALPHA ' non-polymer 77 43 M
BLG BLG '4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMIN' non-polymer 65 35 M
BLV BLV 'BILIVERDIN IX GAMMA CHROMOPHORE ' non-polymer 77 43 M
BM2 BM2 '-2-[(2-NAPHTHALENYLSUL ' non-polymer 67 35 M
BM9 BM9 '[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[' non-polymer 71 37 M
BMA BMA 'BETA-D-MANNOSE ' non-polymer 24 12 M
BMD BMD 'BUTYRAMIDE ' non-polymer 15 6 M
BNA BNA 'BIS-(NAPHTHYL-1-METHYL) ACETIC ACID ' non-polymer 46 26 M
BNG BNG 'B-NONYLGLUCOSIDE ' non-polymer 51 21 M
BNN BNN 'ACETYL-P-AMIDINOPHENYLALANINE ' non-polymer 33 18 M
BNO BNO 'NORLEUCINE BORONIC ACID ' non-polymer 23 9 M
BNS BNS '4-SULFONYLBENZENE GROUP ' non-polymer 14 9 M
BO3 BO3 'BORIC ACID ' non-polymer 7 4 M
BO4 BO4 'BORATE ION ' non-polymer 9 5 M
BOG BOG 'B-OCTYLGLUCOSIDE ' non-polymer 48 20 M
BOT BOT 'BENZOTHIAZOLE ' non-polymer 14 9 M
BOZ BOZ 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANO' non-polymer 45 27 M
BP BP '(-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TET' non-polymer 39 23 M
BPB BPB 'BACTERIOPHEOPHYTIN B ' non-polymer 141 65 M
BPG BPG '9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE ' non-polymer 39 22 M
BPM BPM '4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOS' non-polymer 37 23 M
BPN BPN 'PARANITROBENZYL ALCOHOL ' non-polymer 18 11 M
BPP BPP '(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINO' non-polymer 52 27 M
BPT BPT 'BIS(TRANS-PLATINUM ETHYLENEDIAMINE D' non-polymer 38 14 M
BRB BRB 'PARA-BROMOBENZYL ALCOHOL ' non-polymer 16 9 M
BRC BRC '12-BROMODODECANOIC ACID ' non-polymer 38 15 M
BRI BRI '(O4)-METHYL-2-DEOXYFUCOSE ' non-polymer 25 11 M
BRL BRL '5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ET' non-polymer 44 25 M
BRM BRM '2-BROMOACETYL GROUP ' non-polymer 7 5 M
BRN BRN 'BERENIL ' non-polymer 36 21 M
BRU BRU '5-BROMO-2"-DEOXYURIDINE-5"-MONOPHOSP' non-polymer 33 21 M
BSP BSP '[6-HYDROXYBENZE ' non-polymer 44 36 M
BTA BTA '4-DEMETHYL-LEUCINE ' non-polymer 19 8 M
BTB BTB '2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HY' non-polymer 33 14 M
BTC BTC 'CYSTEINE ' non-polymer 14 7 M
BTD BTD '5-BROMOTHIENYLDEOXYURIDINE ' non-polymer 35 22 M
BTP BTP '2-THIOMETHYL-3-PHENYLPROPANOIC ACID ' non-polymer 25 13 M
BTR BTR '6-BROMO-TRYPTOPHAN ' non-polymer 27 16 M
BU1 BU1 '1,4-BUTANEDIOL ' non-polymer 16 6 M
BUA BUA 'BUTANOIC ACID ' non-polymer 14 6 M
BUB BUB '1-BUTANE BORONIC ACID ' non-polymer 18 7 M
BUC BUC 'S,S-BUTYLTHIOCYSTEINE ' non-polymer 27 12 M
BUL BUL 'BULGECIN A ' non-polymer 64 35 M
BUQ BUQ '4-HYDROXY-2-BUTANONE ' non-polymer 14 6 M
BUT BUT 'BUTYL GROUP ' non-polymer 13 4 M
BVD BVD '5-BROMOVINYLDEOXYURIDINE ' non-polymer 32 19 M
BX3 BX3 '(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDI' non-polymer 64 34 M
BZ1 BZ1 '(+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METH' non-polymer 44 23 M
BZA BZA '1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHR' non-polymer 37 21 M
BZB BZB 'BENZO[B]THIOPHENE-2-BORONIC ACID ' non-polymer 19 12 M
BZF BZF 'BENZOFURAN ' non-polymer 15 9 M
BZI BZI 'BENZIMIDAZOLE ' non-polymer 15 9 M
BZO BZO 'CARBOBENZOXY GROUP ' non-polymer 17 10 M
BZP BZP 'N1-CARBOXYPIPERAZINE ' non-polymer 19 9 M
BZS BZS 'L-BENZYLSUCCINIC ACID ' non-polymer 27 15 M
C20 C20 'ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHO' non-polymer 92 41 M
C2F C2F '5-METHYLENE-5,6,7,8-TETRAHYDROFOLIC ' non-polymer 58 33 M
C2P C2P 'CYTIDINE-2'-MONOPHOSPHATE ' non-polymer 35 21 M
C3P C3P 'CYTIDINE-3'-MONOPHOSPHATE ' non-polymer 35 21 M
C3X C3X '2,3-EPOXYPROPYL-BETA-D-XYLOSIDE ' non-polymer 28 14 M
C4X C4X '3,4-EPOXYBUTYL-BETA-D-XYLOSIDE ' non-polymer 31 15 M
C5C C5C 'S-CYCLOPENTYL THIOCYSTEINE ' non-polymer 28 13 M
C5P C5P 'CYTIDINE-5"-MONOPHOSPHATE ' non-polymer 35 21 M
C5X C5X '4,5-EPOXYPENTYL-BETA-D-XYLOSIDE ' non-polymer 34 16 M
C60 C60 '[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1' non-polymer 112 51 M
C6C C6C 'S-CYCLOHEXYL THIOCYSTEINE ' non-polymer 31 14 M
C78 C78 '[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCA' non-polymer 88 46 M
CAA CAA 'ACETOACETYL-COENZYME A ' non-polymer 94 54 M
CAB CAB '4-CARBOXY-4-AMINOBUTANAL ' non-polymer 18 9 M
CAG CAG 'PHOSPHONO-1-[2-NITROPHENYL]ETHYL-PHO' non-polymer 66 43 M
CAH CAH '5-EXO-HYDROXYCAMPHOR ' non-polymer 28 12 M
CAL CAL '5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO' non-polymer 51 20 M
CAN CAN 'CANALINE ' non-polymer 19 9 M
CAO CAO 'OXIDIZED COENZYME A ' non-polymer 85 49 M
CAR CAR 'ARABINOSE-5"-PHOSPHAT ' non-polymer 35 21 M
CAS CAS 'S-(DIMETHYLARSENIC)CYSTEINE ' non-polymer 22 10 M
CAT CAT 'DODECANE-TRIMETHYLAMINE ' non-polymer 50 16 M
CAV CAV '5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-2' non-polymer 49 20 M
CAY CAY 'CARBOXYMETHYLENECYSTEINE ' non-polymer 20 11 M
CBA CBA '(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer 43 26 M
CBD CBD 'CIBACRON BLUE ' non-polymer 71 51 M
CBG CBG 'DIMETHYLENE CARBONYL GROUP ' non-polymer 8 4 M
CBI CBI 'CELLOBIOSE ' non-polymer 45 23 M
CBL CBL 'CHLORAMBUCIL ' non-polymer 38 19 M
CBM CBM 'CARBOXYMETHYL GROUP ' non-polymer 7 4 M
CBO CBO 'CARBENOXOLONE ' non-polymer 91 41 M
CBS CBS 'DI(N-ACETYL-D-GLUCOSAMINE) ' non-polymer 57 29 M
CCH CCH '[7-ETHENYL-12-FORMYL-3,8,13,17-TERTR' non-polymer 73 43 M
CCI CCI 'CALICHEAMICIN GAMMA-1-I ' non-polymer 120 59 M
CCM CCM '1-METHYL-1-CARBOXY-CYCLOPENTANE ' non-polymer 21 9 M
CCN CCN 'ACETONITRILE ' non-polymer 6 3 M
CCP CCP 'BUTYLPHOSPHONATE ' non-polymer 19 8 M
CCS CCS 'CARBOXYMETHYLATED CYSTEINE ' non-polymer 20 11 M
CCY CCY '2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-HY' non-polymer 41 22 M
CD1 CD1 'CADMIUM ION, 1 WATER COORDINATED ' non-polymer 4 2 M
CDE CDE '1,2-DIMETHYL-PROPYLAMINE ' non-polymer 19 6 M
CDL CDL 'CARDIOLIPIN ' non-polymer 256 100 M
CDP CDP 'CYTIDINE-5"-DIPHOSPHATE ' non-polymer 40 25 M
CDR CDR '2,3-DIDEOXYFUCOSE ' non-polymer 21 9 M
CE9 CE9 'DODECYL NONA ETHYLENE GLYCOL ETHER ' non-polymer 102 40 M
CEA CEA 'S-HYDROXY-CYSTEINE ' non-polymer 15 8 M
CEB CEB '2-CHLORO-4-ETHYLAMINO-6-(S(-)-2"-CYA' non-polymer 32 17 M
CEC CEC 'CHLOROETHYLCARBAMOYL GROUP ' non-polymer 11 6 M
CEF CEF 'CEFOTAXIME GROUP ' non-polymer 47 30 M
CEM CEM 'N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-' non-polymer 25 14 M
CEP CEP 'CEPHALOTHIN GROUP ' non-polymer 42 26 M
CER CER '(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,' non-polymer 35 16 M
CET CET '2-CHLORO-4-ETHYLAMINO-6-(R(+)-2"-CYA' non-polymer 32 17 M
CFC CFC '1-CARBOXY-1"-[(DIMETHYLAMINO)-CARBON' non-polymer 34 19 M
CFO CFO 'CHLORO DIIRON-OXO MOIETY ' non-polymer 4 4 M
CGP CGP '2"-DEOXYCYTIDINE-2"-DEOXYGUANOSINE-3' non-polymer 63 38 M
CGS CGS 'N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SU' non-polymer 50 27 M
CH CH 'CYTIDINE-5"-MONOPHOSPHAT ' non-polymer 36 21 M
CHA CHA '1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPAN' non-polymer 30 11 M
CHB CHB '3-CHLORO-4-HYDROXYBENZOIC ACID ' non-polymer 16 11 M
CHF CHF 'CYCLOHEXYLFLUOROSTATONE ' non-polymer 37 18 M
CHG CHG 'CYCLOHEXYL-GLYCINE ' non-polymer 26 11 M
CHI CHI '[1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPE' non-polymer 54 31 M
CHO CHO 'GLYCOCHENODEOXYCHOLIC ACID ' non-polymer 75 32 M
CHP CHP '3-CHLORO-4-HYDROXYPHENYLGLYCINE ' non-polymer 21 13 M
CHR CHR 'NEOCARZINOSTATIN-CHROMOPHORE ' non-polymer 81 48 M
CHS CHS '4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTA' non-polymer 36 15 M
CHX CHX 'CYCLOHEXANE ' non-polymer 18 6 M
CIC CIC 'CITRYL-THIOETHER-COENZYME *A ' non-polymer 103 59 M
CIN CIN '4-CARBOXYCINNAMIC ACID ' non-polymer 22 14 M
CIP CIP 'INOSITOL-2-METHYLENE-1,2-CYCLIC-MONO' non-polymer 28 15 M
CIR CIR 'CITRULLINE ' non-polymer 25 12 M
CKI CKI 'N-(2-AMINOETHYL)-5-CHLOROISOQUINOLIN' non-polymer 30 18 M
CLA CLA 'CHLOROPHYLL A ' non-polymer 137 65 M
CLB CLB 'D-PARA-CHLOROPHENYL-1-ACETAMIDOBORON' non-polymer 42 23 M
CLD CLD 'D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORON' non-polymer 42 23 M
CLL CLL 'CHOLESTERYL LINOLEATE ' non-polymer 123 47 M
CLM CLM 'CHLORAMPHENICOL ' non-polymer 32 20 M
CLN CLN 'SULFUR SUBSTITUTED PROTOPORPHYRIN IX' non-polymer 76 44 M
CLP CLP 'FE-S CLUSTER ' non-polymer 16 16 M
CLQ CLQ 'N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DI' non-polymer 48 22 M
CLT CLT '4-PHENYL-BUTANOIC ACID ' non-polymer 24 12 M
CLX CLX 'TRI-CHLORO-ACETALDEHYDE ' non-polymer 7 6 M
CM CM 'CARBOXYMETHYL GROUP BOUND TO CYS B 1' non-polymer 8 4 M
CMC CMC 'CARBOXYMETHYL COENZYME *A ' non-polymer 90 52 M
CMD CMD '3"-DESAMINO-3"-(3-CYANO-4-MORPHOLINY' non-polymer 80 46 M
CME CME 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE ' non-polymer 22 11 M
CMS CMS 'CARBAMOYL SARCOSINE ' non-polymer 17 9 M
CMT CMT 'O-METHYLCYSTEINE ' non-polymer 17 8 M
CMX CMX 'CARBOXYMETHYLDETHIA COENZYME *A ' non-polymer 89 51 M
CN CN 'CYANIDE GROUP ' non-polymer 2 2 M
CNA CNA 'CARBA-NICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer 73 44 M
CND CND '5-BETA-D-RIBOFURANOSYLNICOTINAMIDE A' non-polymer 71 44 M
CNM CNM 'ACETAMIDE ' non-polymer 9 4 M
CNP CNP '2-PROPENYL-N-ACETYL-NEURAMIC ACID ' non-polymer 46 23 M
CO8 CO8 'OCTANOYL-COENZYME A ' non-polymer 107 57 M
COB COB 'CO-METHYLCOBALAMIN ' non-polymer 183 92 M
COD COD 'DEPHOSPHO COENZYME A ' non-polymer 79 44 M
COE COE 'FURO[2,3D]PYRIMIDINE ANTIFOLATE ' non-polymer 54 32 M
COF COF 'TRIFLUOROACETONYL COENZYME A ' non-polymer 92 55 M
COH COH 'PROTOPORPHYRIN IX CONTAINING CO ' non-polymer 75 43 M
COI COI '2-OXO-4-METHYLPENTANOIC ACID ' non-polymer 19 9 M
COM COM '1-THIOETHANESULFONIC ACID ' non-polymer 13 7 M
CTI CTI 'COBALT TETRAAMMINE ION ' non-polymer 17 5 M
COP COP 'N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTER' non-polymer 69 42 M
COR COR '2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPE' non-polymer 42 20 M
COS COS 'COENZYME A PERSULFIDE ' non-polymer 85 49 M
COT COT 'COA-S-ACETYL TRYPTAMINE ' non-polymer 111 63 M
CPA CPA '2"-DEOXYCYTIDINE-2"-DEOXYADENOSINE-3' non-polymer 62 37 M
CPC CPC '2-METHYL-1-METHYLAMINO-CYCLOPROPANE ' non-polymer 20 9 M
CPD CPD '[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-' non-polymer 84 48 M
CPG CPG 'GUANOSINE-5"-PHOSPHATE ' non-polymer 38 24 M
CPH CPH '1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIH' non-polymer 52 28 M
CPI CPI '6-CARBOXYPIPERIDINE ' non-polymer 20 9 M
CPM CPM 'S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIM' non-polymer 32 16 M
CPN CPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 35 19 M
CPP CPP '2-CYCLOPROPYLMETHYLENEPROPANAL ' non-polymer 20 8 M
CPR CPR '5"-MONOPHOSPHAT ' non-polymer 36 23 M
CPS CPS '3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMINO' non-polymer 100 42 M
CPT CPT 'CIS-PLATINUM-(NH3)2 ' non-polymer 9 3 M
CPU CPU 'N-CYCLOHEXYL-N"-(PROPYL)PHENYL UREA ' non-polymer 43 19 M
CPV CPV '5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO' non-polymer 48 19 M
CRB CRB '[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(' non-polymer 32 17 M
CRH CRH '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer 52 28 M
CRO CRO '[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-H' non-polymer 39 22 M
CRP CRP '((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-' non-polymer 38 20 M
CRS CRS 'M-CRESOL ' non-polymer 16 8 M
CRT CRT 'SPIRILLOXANTHIN ' non-polymer 104 44 M
CRY CRY 'PROPANE-1,2,3-TRIOL ' non-polymer 14 6 M
CSB CSB 'CYS BOUND TO LEAD ION ' non-polymer 14 8 M
CSD CSD '3-SULFINOALANINE ' non-polymer 16 9 M
CSE CSE 'SELENOCYSTEINE ' non-polymer 14 7 M
CSP CSP 'S-PHOSPHOCYSTEINE ' non-polymer 19 11 M
CSS CSS 'S-MERCAPTOCYSTEINE ' non-polymer 15 8 M
CST CST '[[PHENYLALANINE-CARBONYL-AMINO-2-(2-' non-polymer 86 45 M
CSW CSW 'CYSTEINE-S-DIOXIDE ' non-polymer 16 9 M
CSX CSX 'S-OXY CYSTEINE ' non-polymer 15 8 M
CSY CSY '[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-1' non-polymer 41 22 M
CTA CTA 'CYCLOTHEONAMIDE A ' non-polymer 98 53 M
CTC CTC '7-CHLOROTETRACYCLINE ' non-polymer 56 33 M
CTD CTD '3-DEAZACYTIDINE ' non-polymer 31 17 M
CTH CTH '4-CHLOROTHREONINE ' non-polymer 17 9 M
CTO CTO 'TRIACETYLCHITOTRIOSE ' non-polymer 84 43 M
CTR CTR 'CELLOTRIOSE ' non-polymer 66 34 M
CUA CUA 'DINUCLEAR COPPER ION ' non-polymer 2 2 M
CUC CUC 'CYCLOHEXYLGLYCYL ' non-polymer 25 10 M
CUL CUL 'COPPER (II) CHLORIDE ' non-polymer 3 3 M
CXF CXF 'CYCLOHEXYLFORMAMIDE ' non-polymer 22 9 M
CXL CXL 'CYCLOHEXANOL ' non-polymer 19 7 M
CXP CXP 'CYCLOHEXANE PROPIONIC ACID ' non-polymer 27 11 M
CXS CXS '3-CYCLOHEXYL-1-PROPYLSULFONIC ACID ' non-polymer 33 14 M
CYB CYB 'PHYCOCYANOBILIN ' non-polymer 81 43 M
CYC CYC 'PHYCOCYANOBILIN ' non-polymer 81 43 M
CYF CYF '5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFA' non-polymer 59 36 M
CYG CYG '2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANY' non-polymer 30 16 M
CYH CYH 'CYCLOHEXANONE ' non-polymer 17 7 M
CYL CYL '3-AMINO-5-HYDROXYMETHYL-CYCLOHEXANE-' non-polymer 26 11 M
CYM CYM 'S-METHYLCYSTEINE ' non-polymer 17 8 M
CYP CYP '9R,10R-9-GLUTATHIONYL-10-HYDROXY-9,1' non-polymer 62 35 M
CYY CYY '2-DEOXYSTREPTAMINE ' non-polymer 25 11 M
D12 D12 'DODECANE ' non-polymer 38 12 M
D13 D13 '4-[5-(3-IODO-PHENYL)-2-(4-METHANESUL' non-polymer 43 27 M
D16 D16 'TOMUDEX (ZD1694) ' non-polymer 54 32 M
D18 D18 '2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHY' non-polymer 61 29 M
D19 D19 '2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETH' non-polymer 57 29 M
D1P D1P '2"-DEOXY-RIBOFURANOSE-5"-PHOSPHATE ' non-polymer 24 13 M
D24 D24 '2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YL' non-polymer 61 33 M
D3 D3 '1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-4-(' non-polymer 54 32 M
D6G D6G '2-DEOXY-GLUCOSE-6-PHOSPHATE ' non-polymer 28 15 M
DA3 DA3 '(2S,5",S)-2-AMINO-3-(3-CARBOXY-2-ISO' non-polymer 24 14 M
DA6 DA6 '6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHY' non-polymer 45 24 M
DAB DAB '2,4-DIAMINOBUTYRIC ACID ' non-polymer 18 8 M
DAC DAC '2-DECENOYL N-ACETYL CYSTEAMINE ' non-polymer 43 18 M
DAD DAD '2",3"-DIDEOXYADENOSINE-5"-TRIPHOSPHA' non-polymer 45 29 M
DAE DAE 'O,P-DINITROPHENYL AMINOETHYLDIPHOSPH' non-polymer 38 28 M
DAF DAF '1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-' non-polymer 44 21 M
DAG DAG '4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRA' non-polymer 24 11 M
DAH DAH '3,4-DIHYDROXYPHENYLALANINE ' non-polymer 25 14 M
DAO DAO 'LAURIC ACID ' non-polymer 38 14 M
DAP DAP '6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE' non-polymer 36 21 M
DAQ DAQ 'O,P-DINITROPHENYL AMINOPROPYLDIPHOSP' non-polymer 41 29 M
DAR DAR 'D-ARGININE ' non-polymer 27 12 M
DAS DAS 'D-ASPARTIC ACID ' non-polymer 16 9 M
DAV DAV 'DELTA-AMINO VALERIC ACID ' non-polymer 20 8 M
DBA DBA '(2,6-DIMETHYL-PHENOXY)-ACETIC ACID ' non-polymer 25 13 M
DBG DBG 'ACID-GUANYLATE ' non-polymer 74 47 M
DBV DBV '15,16-DIHYDROBILIVERDIN ' non-polymer 79 43 M
DBY DBY '3,5 DIBROMOTYROSINE ' non-polymer 24 15 M
DCA DCA 'DESULFO-COENZYME A ' non-polymer 83 47 M
DCB DCB '2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-B' non-polymer 58 35 M
DCF DCF '2"-DEOXYCOFORMYCIN ' non-polymer 35 19 M
DCG DCG '2"-DEOXY-GUANOSINE-5"-MONOPHOSPHATE ' non-polymer 37 23 M
DCH DCH '3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-' non-polymer 63 32 M
DCI DCI '2-METHYL-BUTYLAMINE ' non-polymer 19 6 M
DCM DCM '2"-DEOXYCYTIDINE-5"-MONOPHOSPHATE ' non-polymer 34 20 M
DCP DCP '2"-DEOXYCYTIDINE-5"-TRIPHOSPHATE ' non-polymer 44 28 M
DCS DCS 'D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer 38 22 M
DCY DCY 'D-CYSTEINE ' non-polymer 14 7 M
DDA DDA '2,6-DIDEOXY-BETA-D-GLUCOSE ' non-polymer 22 10 M
DDB DDB '3-METHYL-2,6-DIDEOXY-BETA-D-ALLOPYRA' non-polymer 25 11 M
DDG DDG '2",3"-DIDEOXY-GUANOSINE-5"-MONOPHOSP' non-polymer 36 22 M
DDH DDH '[7,12-DEACETYL-3,8,13,17-TETRAMETHYL' non-polymer 77 45 M
DDL DDL '2,6-DIDEOXY-BETA-D-GALACTOSE ' non-polymer 22 10 M
DDU DDU '2"-5'DIDEOXYURIDINE ' non-polymer 27 15 M
DEB DEB '6-DEOXYERYTHRONOLIDE B ' non-polymer 65 27 M
DEC DEC 'SEBACIC ACID ' non-polymer 32 14 M
DEN DEN 'INDENE ' non-polymer 17 9 M
DEP DEP 'DIETHYLPHOSPHONO GROUP ' non-polymer 18 8 M
DES DES 'DIETHYLSTILBESTROL ' non-polymer 40 20 M
DET DET 'UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE ' non-polymer 44 15 M
DFI DFI '2,2-DIFLUOROSTATINE ' non-polymer 29 14 M
DFP DFP 'DIISOPROPYLPHOSPHONO GROUP ' non-polymer 24 10 M
DFR DFR '3-DEOXY-3-METHYL-D-FRUCTOSE ' non-polymer 26 12 M
DFX DFX '1,2-DEOXY-2-FLUORO-XYLOSE ' non-polymer 18 9 M
DG2 DG2 '2,3-DIPHOSPHOGLYCERIC ACID ' non-polymer 23 15 M
DG3 DG3 '2"-3"DIDEOXYGUANOSINE-5"-TRIPHOSPHAT' non-polymer 46 30 M
DGD DGD 'DIGALACTOSYL DIACYL GLYCEROL (DGDG) ' non-polymer 162 66 M
DGG DGG '1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEX' non-polymer 125 50 M
DGL DGL 'D-GLUTAMIC ACID ' non-polymer 19 10 M
DGN DGN 'D-GLUTAMINE ' non-polymer 20 10 M
DGP DGP '2"-DEOXYGUANOSINE-5"-MONOPHOSPHATE ' non-polymer 37 23 M
DGT DGT '2"-DEOXYGUANOSINE-5"-TRIPHOSPHATE ' non-polymer 47 31 M
DGX DGX 'DIGOXIN ' non-polymer 119 55 M
DHB DHB '3,4-DIHYDROXYBENZOIC ACID ' non-polymer 17 11 M
DHD DHD '2,4-DIOXO-PENTANEDIOIC ACID ' non-polymer 15 11 M
DHE DHE 'HEME D ' non-polymer 81 49 M
DHF DHF 'DIHYDROFOLIC ACID ' non-polymer 53 32 M
DHG DHG 'PHOSPHONIC ACID 2-DODECANOYLAMINO-HE' non-polymer 70 28 M
DHI DHI 'D-HISTIDINE ' non-polymer 21 11 M
DHN DHN '5-HYDROXY NORVALINE ' non-polymer 20 9 M
DHP DHP '3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROL' non-polymer 41 18 M
DHQ DHQ '3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE ' non-polymer 23 12 M
DHT DHT 'DIHYDROTESTOSTERONE ' non-polymer 51 21 M
DHU DHU '5,6-DIHYDROURIDINE-5"-PHOSPHATE ' non-polymer 36 21 M
DHY DHY '2-(3,4-DIHYDROXYPHENYL)ACETIC ACID ' non-polymer 20 12 M
DHZ DHZ '3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE NUCLE' non-polymer 30 16 M
DI2 DI2 'AC-(D)PHE-PRO-BOROLYS-OH ' non-polymer 64 31 M
DI3 DI3 'AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-G' non-polymer 67 33 M
DI4 DI4 'AC-(D)PHE-PRO-BOROHOMOLYS-OH ' non-polymer 67 32 M
DI5 DI5 'AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH ' non-polymer 61 30 M
DIC DIC 'ISOCOUMARIN ' non-polymer 21 13 M
DIG DIG '2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL ' non-polymer 24 11 M
DIL DIL 'D-ISOLEUCINE ' non-polymer 22 9 M
DIM DIM 'DIIMIDAZOLE LEXITROPSIN ' non-polymer 46 26 M
DIO DIO '1,4-DIETHYLENE DIOXIDE ' non-polymer 14 6 M
DIQ DIQ '2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CA' non-polymer 33 14 M
DIT DIT 'DITERCALINIUM ' non-polymer 104 54 M
DIV DIV 'D-ISOVALINE ' non-polymer 19 8 M
DIX DIX 'METHYL(CYCLOPENTYL-PROPYL)AMINE ' non-polymer 29 10 M
DIY DIY '5-BUTYLPIPERIDINE ' non-polymer 29 10 M
DLF DLF '2-DEOXY-ALPHA-L-FUCOPYRANOSIDE ' non-polymer 22 10 M
DLY DLY 'D-LYSINE ' non-polymer 24 10 M
DM2 DM2 'DOXORUBICIN ' non-polymer 68 39 M
DM3 DM3 '6-DEOXYDAUNOMYCIN ' non-polymer 66 37 M
DM4 DM4 '1-O-DEMETHYL-6-DEOXYDOXORUBICIN ' non-polymer 64 37 M
DM5 DM5 'IDARUBICIN ' non-polymer 63 36 M
DM6 DM6 '4"-EPIDOXORUBICIN ' non-polymer 69 39 M
DM7 DM7 '4"-DEOXY-4"-IODODOXORUBICIN ' non-polymer 68 39 M
DM8 DM8 '2"-BROMO-4"-EPIDAUNORUBICIN ' non-polymer 67 39 M
DM9 DM9 'N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-D' non-polymer 83 44 M
DMA DMA 'DIMETHYLALLYL DIPHOSPHATE ' non-polymer 26 14 M
DMB DMB '2-((3",5"-DIMETHYL-4"-HYDROXYPHENYL)' non-polymer 34 20 M
DMC DMC '3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-' non-polymer 37 18 M
DMD DMD '5,6-DIMETHYLBENZIMIDAZOLE ' non-polymer 21 11 M
DME DME 'DECAMETHONIUM ION ' non-polymer 56 18 M
DMI DMI '2,3-DIMETHYLIMIDAZOLIUM ION ' non-polymer 16 7 M
DML DML 'TERMINAL DIMETHYL ' non-polymer 8 2 M
DMM DMM '3"-DESAMINO-3"-(2-METHOXY-4-MORPHOLI' non-polymer 83 46 M
DMN DMN 'DIMETHYLAMINE ' non-polymer 10 3 M
DMO DMO 'ALPHA-DIFLUOROMETHYLORNITHINE ' non-polymer 24 12 M
DMQ DMQ '[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer 78 40 M
DMT DMT '3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMIN' non-polymer 36 15 M
DNC DNC '3,5-DINITROCATECHOL ' non-polymer 18 14 M
DNJ DNJ '1-DEOXY-NOJIRIMYCIN ' non-polymer 24 11 M
DNN DNN '7,8-DIAMINO-NONANOIC ACID ' non-polymer 33 13 M
DNP DNP '3-AMINO-ALANINE ' non-polymer 16 7 M
DO2 DO2 '2-AMINO-6-OXO-HEXANOIC ACID ' non-polymer 21 10 M
DOB DOB '2,4-DIHYDROXYBENZOIC ACID ' non-polymer 17 11 M
DOC DOC '2",3"-DIDEOXYCYTIDINE-5"-MONOPHOSPHA' non-polymer 33 19 M
DOH DOH 'BETA-HYDROXY ASPARTIC ACID ' non-polymer 17 10 M
DOM DOM '2"-DEOXYMALTOSE ' non-polymer 44 22 M
DOX DOX 'DIOXANE ' non-polymer 14 6 M
DP5 DP5 '1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSY' non-polymer 66 34 M
DP7 DP7 'AC-(D)PHE-PRO-BOROARG-OH ' non-polymer 66 33 M
DPA DPA 'ANTHRANILATE ' non-polymer 34 19 M
DPC DPC '5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-P' non-polymer 55 28 M
DPE DPE 'N-UNDECANYLPHOSPHONATE METHYL ESTER ' non-polymer 41 15 M
DPG DPG 'PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-T' non-polymer 155 59 M
DPH DPH 'DEAMINO-METHYL-PHENYLALANINE ' non-polymer 24 12 M
DPM DPM 'DIPYRROMETHANE COFACTOR ' non-polymer 54 30 M
DPP DPP 'DIAMMINOPROPANOIC ACID ' non-polymer 15 7 M
DPS DPS '3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIP' non-polymer 65 36 M
DPX DPX 'MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN' non-polymer 46 26 M
DQN DQN 'DUROQUINONE ' non-polymer 24 12 M
DRI DRI '4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOS' non-polymer 25 11 M
DSA DSA '4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHO' non-polymer 60 35 M
DSC DSC 'DODECANESULFONATE ION ' non-polymer 41 16 M
DSD DSD '7-(CARBOXYAMINO)-8-AMINO-NONANOIC AC' non-polymer 36 16 M
DSE DSE 'N-METHYL-D-SERINE ' non-polymer 17 8 M
DSI DSI '4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8' non-polymer 48 29 M
DSN DSN 'D-SERINE ' non-polymer 14 7 M
DSP DSP 'D-ASPARTIC ACID ' non-polymer 16 9 M
DSR DSR '2,6-DIDEOXY-4-THIO-BETA-D-ALLOSEPYRA' non-polymer 22 10 M
DSS DSS 'METHYL METHYLSULFINYLMETHYL SULFIDE ' non-polymer 14 6 M
DSX DSX 'BATIMASTAT (BB-99) ' non-polymer 63 32 M
DSY DSY '5-(DIMETHYLAMINO)-2-NAPHTHALENESULFO' non-polymer 30 17 M
DTO DTO '1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-' non-polymer 19 9 M
DTP DTP '5"-TRIPHOSPHAT ' non-polymer 46 30 M
DTY DTY 'D-TYROSINE ' non-polymer 24 13 M
DUD DUD 'DEOXYURIDINE-5"-DIPHOSPHATE ' non-polymer 38 24 M
DUO DUO '4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,' non-polymer 64 37 M
DUR DUR '2"-DEOXYURIDINE ' non-polymer 28 16 M
DX9 DX9 '(+)-2-[4-[((S)-1-ACETIMIDOYL-3-PYRRO' non-polymer 60 33 M
DXA DXA '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer 61 31 M
DXB DXB '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer 52 28 M
DXX DXX 'METHYLMALONIC ACID ' non-polymer 14 8 M
DZF DZF '5-DEAZAFOLIC ACID ' non-polymer 52 32 M
E E 'N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDRO' non-polymer 73 45 M
E20 E20 '1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON' non-polymer 57 28 M
E3G E3G 'ESTRONE BETA-D-GLUCURONIDE ' non-polymer 62 32 M
E4N E4N 'TETRAETHYLAMMONIUM ION ' non-polymer 29 9 M
E4P E4P 'ERYTHOSE-4-PHOSPHATE ' non-polymer 21 12 M
E64 E64 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL' non-polymer 55 25 M
E6C E6C 'N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LE' non-polymer 50 22 M
EAA EAA 'ETHACRYNIC ACID ' non-polymer 31 19 M
EBP EBP 'DIETHYL 4-METHYLBENZYLPHOSPHONATE ' non-polymer 35 16 M
EDC EDC 'N3,N4-ETHENO-2"-DEOXYCYTIDINE-5"-MON' non-polymer 37 22 M
EDR EDR 'EDROPHONIUM ION ' non-polymer 28 12 M
EEB EEB 'URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOS' non-polymer 78 45 M
EEE EEE 'ETHYL ACETATE ' non-polymer 14 6 M
EFC EFC 'S,S-(2-FLUOROETHYL)THIOCYSTEINE ' non-polymer 21 11 M
EG1 EG1 'AMINOMETHYLENECARBONYLAMINODI(ETHYLO' non-polymer 50 26 M
EG2 EG2 'AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLB' non-polymer 43 22 M
EG3 EG3 'BENZENESULFONAMIDEAMINOCARBONYLBENZE' non-polymer 63 33 M
EHP EHP '3-HYDROXYPHENYLALANINE ' non-polymer 24 13 M
EJT EJT '1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)' non-polymer 87 46 M
ELA ELA '9-OCTADECENOIC ACID ' non-polymer 54 20 M
EMC EMC 'ETHYL MERCURY ION ' non-polymer 8 3 M
EMP EMP '2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHY' non-polymer 29 12 M
EMR EMR 'N-AMINOETHYLMORPHOLINE ' non-polymer 23 9 M
ENC ENC 'ETHYL ISOCYANIDE ' non-polymer 10 4 M
ENO ENO '3-(4-HYDROXY-PHENYL)PYRUVIC ACID ' non-polymer 21 13 M
EOA EOA 'N-PHENETHYL-FORMAMIDE ' non-polymer 22 11 M
EOT EOT '[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHY' non-polymer 62 34 M
EOX EOX 'ETHYLOXY GROUP ' non-polymer 8 3 M
EPI EPI '4-ETHYLPIPERIDINE ' non-polymer 23 8 M
EPN EPN '3-(4-NITRO-PHENOXY)-PROPAN-1-OL ' non-polymer 25 14 M
EPO EPO '1-OXO-(2-HYDROXYBUTYL)-4-OXO GROUP ' non-polymer 11 7 M
EPT EPT 'HEPTANYL-P-PHENOL ' non-polymer 34 14 M
EPU EPU 'URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOS' non-polymer 73 44 M
EQU EQU 'EQUILENIN ' non-polymer 38 20 M
ERG ERG 'ERGOSTEROL ' non-polymer 73 29 M
ERI ERI '(4O)-ACETOXY-2-DEOXY-3-METHYLFUCOSE ' non-polymer 30 14 M
ESO ESO 'O3-PHOSPHONOESTRONE ' non-polymer 47 24 M
ETD ETD 'ETHENYLENE GROUP ' non-polymer 4 2 M
ETF ETF 'TRIFLUOROETHANOL ' non-polymer 9 6 M
ETN ETN 'METHYLETHYLAMINE ' non-polymer 13 4 M
ETO ETO 'ETHOXYCARBONYL GROUP ' non-polymer 10 5 M
ETR ETR 'N-ETHYL RETINAMIDE ' non-polymer 57 24 M
ETS ETS '(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDR' non-polymer 35 19 M
EUG EUG '2-METHOXY-4-VINYL-PHENOL ' non-polymer 21 11 M
EYS EYS 'S-SELANYLCYSTEINAL ' non-polymer 15 7 M
F43 F43 'FACTOR 430 ' non-polymer 111 62 M
F89 F89 'S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXO' non-polymer 61 37 M
FAA FAA 'N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE D' non-polymer 100 61 M
FAB FAB 'FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBU' non-polymer 97 58 M
FAC FAC '1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL ' non-polymer 13 11 M
FAG FAG '[1",2"-DIDEOXY[2-AMINO-5-([9-HYDROXY' non-polymer 74 47 M
FAM FAM 'ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHI' non-polymer 90 52 M
FAN FAN 'FORMANILIDE ' non-polymer 16 9 M
FAR FAR 'FARNESYL ' non-polymer 41 15 M
FAS FAS 'ARABINO-FLAVIN-ADENINE DINUCLEOTIDE ' non-polymer 86 53 M
FAT FAT '1-HEXYLDECANOIC ACID ' non-polymer 50 18 M
FBA FBA '4-FLUOROBENZYLAMINE ' non-polymer 18 9 M
FBE FBE '1-FORMYL-4-AMINO-2-BUTENE ' non-polymer 16 7 M
FCA FCA 'ALPHA-D-FUCOSE ' non-polymer 23 11 M
FCB FCB 'BETA-D-FUCOSE ' non-polymer 23 11 M
FCI FCI 'FERRICROCIN-IRON ' non-polymer 95 51 M
FCN FCN 'FOSFOMYCIN ' non-polymer 15 8 M
FCO FCO 'CARBONMONOXIDE-(DICYANO) IRON ' non-polymer 7 7 M
FCT FCT 'DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE ' non-polymer 65 34 M
FCX FCX 'ALPHA-FLUORO-CARBOXYMETHYLDETHIA COE' non-polymer 89 52 M
FCY FCY 'FREE CYSTEINE ' non-polymer 14 7 M
FDA FDA 'DIHYDROFLAVINE-ADENINE DINUCLEOTIDE ' non-polymer 88 53 M
FDI FDI '4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTAN' non-polymer 41 21 M
FDP FDP 'FRUCTOSE-2,6-DIPHOSPHATE ' non-polymer 34 20 M
FDS FDS 'FLUORESCIN ' non-polymer 39 25 M
FEA FEA 'MONOAZIDO-MU-OXO-DIIRON ' non-polymer 6 6 M
FEL FEL 'HYDRATED FE ' non-polymer 10 4 M
FEN FEN 'N-(4-HYDROXYPHENYL)ALL-TRANS RETINAM' non-polymer 62 29 M
FER FER '3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROP' non-polymer 24 14 M
FFC FFC '2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE ' non-polymer 43 22 M
FFF FFF 'TRIFLUOROFURNESYL DIPHOSPHATE ' non-polymer 52 27 M
FFO FFO '5-FORMYL-6-HYDROFOLIC ACID ' non-polymer 55 34 M
FGL FGL 'L-2-AMINO-3-OXOPROPIONIC ACID ' non-polymer 12 7 M
FHB FHB '3-FLUORO-4-HYDROXYBENZOIC ACID ' non-polymer 16 11 M
FHC FHC '2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROP' non-polymer 19 13 M
FHP FHP '1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6' non-polymer 47 20 M
FII FII '[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRI' non-polymer 54 24 M
FIP FIP '5-FLUOROINDOLE PROPANOL PHOSPHATE ' non-polymer 31 18 M
FKA FKA 'BENZYL-CARBAMIC ACID [8-DEETHYL-ASCO' non-polymer 143 67 M
FKP FKP 'METHYLPIPERAZINOFORSKOLIN ' non-polymer 89 39 M
FL9 FL9 'AURON ' non-polymer 31 23 M
FLA FLA 'TRIFLUOROALANINE ' non-polymer 13 9 M
FLC FLC 'CITRATE ANION ' non-polymer 18 13 M
FLD FLD 'BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCAR' non-polymer 98 50 M
FLE FLE 'FUROYL-LEUCINE ' non-polymer 31 16 M
FLP FLP 'FLURBIPROFEN ' non-polymer 31 18 M
FLU FLU '2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-' non-polymer 37 25 M
FLX FLX 'N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-' non-polymer 57 31 M
FMA FMA '6-(3-TETRADECANOIC ACID) FLAVINE MON' non-polymer 94 47 M
FMB FMB 'FORMYCIN B ' non-polymer 31 19 M
FMC FMC 'FORMYCIN ' non-polymer 32 19 M
FME FME 'N-FORMYLMETHIONINE ' non-polymer 22 11 M
FMP FMP 'FORMYCIN-5"-MONOPHOSPHATE ' non-polymer 37 23 M
FMR FMR 'FUMARATE ' non-polymer 10 8 M
FMS FMS 'TRIFLUOROMETHANE SULFONAMIDE ' non-polymer 10 8 M
FNS FNS 'N-SULFO-FLAVIN MONONUCLEOTIDE ' non-polymer 56 35 M
FOC FOC 'FUCITOL ' non-polymer 25 11 M
FOE FOE '2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(' non-polymer 40 21 M
FOG FOG '1-HYDROXY-3-PHENYLALANINE-PROPYLENE ' non-polymer 30 15 M
FOK FOK 'FORSKOLIN ' non-polymer 63 29 M
FON FON 'FOLINIC ACID ' non-polymer 57 34 M
FOS FOS '[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]' non-polymer 28 16 M
FPA FPA '1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE' non-polymer 25 14 M
FPI FPI 'N-FORMYLPIPERIDINE ' non-polymer 19 8 M
FPO FPO 'FLUORO-PHOSPHITE ION ' non-polymer 5 5 M
FPP FPP 'FARNESYL DIPHOSPHATE ' non-polymer 52 24 M
FRA FRA 'BICYCLO[2.2.2]OCTENE DERIVATIVE ' non-polymer 54 31 M
FRD FRD '1-METHYL-2-PHENYL-ETHYLAMINE GROUP ' non-polymer 19 10 M
FTR FTR 'FLUOROTRYPTOPHANE ' non-polymer 27 16 M
FTY FTY 'DEOXY-DIFLUROMETHELENE-PHOSPHOTYROSI' non-polymer 31 19 M
FUA FUA 'FUSIDIC ACID ' non-polymer 85 37 M
FUM FUM 'FUMARIC ACID ' non-polymer 12 8 M
FUP FUP '2",3"-DIDEOXY-3"-FLUORO-URIDIDINE-5"' non-polymer 37 24 M
FVF FVF 'ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDR' non-polymer 76 41 M
FYA FYA 'PHENYLALANINYL-ADENOSINE-5"-PHOSPHAT' non-polymer 58 33 M
G16 G16 'ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE ' non-polymer 33 20 M
G1P G1P 'ALPHA-D-GLUCOSE-1-PHOSPHATE ' non-polymer 29 16 M
G20 G20 '4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL' non-polymer 47 24 M
G21 G21 '5-ACETYLAMINO-4-AMINO-6-(PHENETHYLPR' non-polymer 57 28 M
G23 G23 '(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENY' non-polymer 58 31 M
G26 G26 '2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO' non-polymer 79 41 M
G28 G28 '5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAM' non-polymer 44 21 M
G2F G2F '2-DEOXY-2FLUORO-GLUCOSE ' non-polymer 23 12 M
G37 G37 '2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO' non-polymer 102 55 M
G39 G39 '5-N-ACETYL-3-(1-ETHYLPROPYL)-1-CYCLO' non-polymer 44 20 M
G4D G4D '4-DEOXY-ALPHA-D-GLUCOSE ' non-polymer 23 11 M
G4S G4S 'D-GALACTOSE-4-SULFATE GROUP ' non-polymer 27 16 M
G6P G6P 'ALPHA-D-GLUCOSE-6-PHOSPHATE ' non-polymer 29 16 M
G7M G7M 'N7-METHYL-GUANOSINE-5"-MONOPHOSPHATE' non-polymer 42 25 M
GA2 GA2 '9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUAN' non-polymer 31 18 M
GAA GAA 'METANITROPHENYL-ALPHA-D-GALACTOSIDE ' non-polymer 36 21 M
GAB GAB 'GABACULINE ' non-polymer 17 10 M
GAI GAI 'GUANIDINE ' non-polymer 9 4 M
GAM GAM 'ALPHA-METHYL-L-GLUTAMIC ACID ' non-polymer 22 11 M
GAN GAN '2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-' non-polymer 93 42 M
GAP GAP 'GLYCYL-ADENOSINE-5"-PHOSPHATE ' non-polymer 44 27 M
GAR GAR 'GLYCINAMIDE RIBONUCLEOTIDE ' non-polymer 31 18 M
GAS GAS 'N-(P-CYANOPHENYL)-N"-DIPHENYLMETHYL-' non-polymer 49 29 M
GB GB 'METHYLPHOSPHONIC ACID ESTER GROUP ' non-polymer 8 4 M
GBC GBC 'GABACULINE ' non-polymer 21 10 M
GBI GBI 'S-(3-IODOBENZYL)GLUTATHIONE ' non-polymer 50 28 M
GBP GBP 'S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)' non-polymer 54 31 M
GBS GBS '4-GUANIDINOBENZOIC ACID ' non-polymer 22 13 M
GBX GBX '2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOY' non-polymer 70 43 M
GC4 GC4 '4-DEOXY-D-GLUCURONIC ACID ' non-polymer 22 12 M
GCG GCG 'BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINY' non-polymer 97 48 M
GCL GCL '1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6' non-polymer 46 17 M
GCM GCM 'GLYCYLMETHYLENE GROUP ' non-polymer 11 5 M
GCN GCN '3-DEOXY-D-GLUCOSAMINE ' non-polymer 24 11 M
GCO GCO 'GLUCONIC ACID ' non-polymer 25 13 M
GCP GCP 'PHOSPHOMETHYLPHOSPHONIC ACID GUANYLA' non-polymer 50 32 M
GDB GDB '1-(S-GLUTATHIONYL)-2,4-DINITROBENZEN' non-polymer 51 32 M
GDM GDM 'GELDANAMYCIN ' non-polymer 80 40 M
GDN GDN 'GLUTATHIONE S-(2,4 DINITROBENZENE) ' non-polymer 51 32 M
GDS GDS 'OXIDIZED GLUTATHIONE DISULFIDE ' non-polymer 72 40 M
GDU GDU 'GALACTOSE-URIDINE-C1,5"-DIPHOSPHATE ' non-polymer 60 36 M
GE1 GE1 '3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACT' non-polymer 24 10 M
GE2 GE2 '3,5-DIAMINO-CYCLOHEXANOL ' non-polymer 23 9 M
GE3 GE3 '5-METHYL-4-METHYLAMINO-TETRAHYDRO-PY' non-polymer 27 12 M
GEL GEL '1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYC' non-polymer 76 31 M
GEP GEP 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-E' non-polymer 53 24 M
GER GER 'GERAN-8-YL GERAN ' non-polymer 54 20 M
GFP GFP '2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-P' non-polymer 28 16 M
GGL GGL 'GAMMA-GLUTAMIC ACID ' non-polymer 19 10 M
GHP GHP '4-HYDROXYPHENYLGLYCINE ' non-polymer 21 12 M
GIP GIP 'S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)G' non-polymer 54 31 M
GIS GIS 'ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENY' non-polymer 34 20 M
GL3 GL3 'THIOGLYCIN ' non-polymer 10 5 M
GLA GLA 'ALPHA D-GALACTOSE ' non-polymer 24 12 M
GLB GLB 'BETA-D-GALACTOSE ' non-polymer 24 12 M
GLD GLD '4,6-DIDEOXYGLUCOSE ' non-polymer 22 10 M
GLE GLE '1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO' non-polymer 58 26 M
GLF GLF '1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE ' non-polymer 23 12 M
GLI GLI 'ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VA' non-polymer 88 41 M
GLL GLL 'GLYCOLURIL ' non-polymer 16 10 M
GLM GLM '1-AMINO-PROPAN-2-ONE ' non-polymer 12 5 M
GLO GLO 'D-GLUCOSE IN LINEAR FORM ' non-polymer 24 12 M
GLP GLP 'GLUCOSAMINE 6-PHOSPHATE ' non-polymer 30 16 M
GLS GLS 'BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN ' non-polymer 29 17 M
GLT GLT '5-DEOXY-5-THIO-ALPHA-D-GLUCOSE ' non-polymer 24 12 M
GLV GLV 'GLYOXYLIC ACID ' non-polymer 7 5 M
GLX GLX 'GLU/GLN AMBIGUOUS ' non-polymer 9 9 M
GLZ GLZ 'AMINO-ACETALDEHYDE ' non-polymer 9 4 M
GM1 GM1 'AMINOMETHYLAMIDE ' non-polymer 11 5 M
GMA GMA '4-AMIDO-4-CARBAMOYL-BUTYRIC ACID ' non-polymer 20 10 M
GMH GMH 'L-GLYCERO-D-MANNO-HEPTOPYRANOSE ' non-polymer 28 14 M
GMY GMY 'GELDANAMYCIN ' non-polymer 80 40 M
GN7 GN7 'N7-2-DEOXY-GUANOSINE-5"-MONOPHOSPHAT' non-polymer 37 23 M
GNA GNA '2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEU' non-polymer 45 23 M
GNB GNB 'S-P-NITROBENZYLOXYCARBONYLGLUTATHION' non-polymer 57 33 M
GNH GNH 'AMINOPHOSPHONIC ACID-GUANYLATE ESTER' non-polymer 44 28 M
GNT GNT '(-)-GALANTHAMINE ' non-polymer 42 21 M
GP3 GP3 'DIGUANOSINE-5"-TRIPHOSPHATE ' non-polymer 78 51 M
GP6 GP6 '1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENY' non-polymer 33 20 M
GP8 GP8 '1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL' non-polymer 44 26 M
GPC GPC '2"-FLUOROGUANYLYL-(3"-5")-PHOSPHOCYT' non-polymer 64 40 M
GPE GPE 'L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMIN' non-polymer 27 13 M
GPG GPG 'GUANYLYL-2",5"-PHOSPHOGUANOSINE ' non-polymer 68 43 M
GPL GPL 'GUANOSINE-5"-MONOPHOSPHAT ' non-polymer 59 33 M
GPM GPM 'GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC A' non-polymer 31 16 M
GPN GPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 38 22 M
GPP GPP 'GERANYL DIPHOSPHATE ' non-polymer 39 19 M
GPR GPR '(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDRO' non-polymer 62 35 M
GPX GPX 'MONOPHOSPHAT ' non-polymer 45 31 M
GR3 GR3 '3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OX' non-polymer 85 39 M
GR4 GR4 'R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-O' non-polymer 108 52 M
GS GS 'GUANOSINE-5"-THIO-MONOPHOSPHATE ' non-polymer 37 23 M
GSA GSA 'O4-SULFONYLGALACTOSE ' non-polymer 28 16 M
GSB GSB 'S-BENZYL-GLUTATHIONE ' non-polymer 50 27 M
GSC GSC '2-ETHYLTHIO GLYCINE ' non-polymer 17 8 M
GSE GSE 'L-ALPHA-GLYCEROPHOSPHORYLSERINE ' non-polymer 30 16 M
GSR GSR 'MONOPHOSPHAT ' non-polymer 54 32 M
GSS GSS 'MONOPHOSPHAT ' non-polymer 54 32 M
GT9 GT9 'S-NONYL-CYSTEINE ' non-polymer 41 16 M
GTB GTB 'S-(P-NITROBENZYL)GLUTATHIONE ' non-polymer 52 30 M
GTD GTD '1-(S-GLUTATHIONYL)-2,5-TRINITROCYCLO' non-polymer 55 35 M
GTH GTH '3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOX' non-polymer 65 33 M
GTN GTN 'PHOSPHOAMINOPHOSPHONIC ACID GUANYLAT' non-polymer 49 32 M
GTO GTO 'PHOSPHOMETHYLPHOSPHONIC ACID-GUANYLA' non-polymer 50 32 M
GTS GTS 'GLUTATHIONE SULFONIC ACID ' non-polymer 40 23 M
GUA GUA 'GLUTARIC ACID ' non-polymer 17 9 M
GUD GUD 'GLUCOSE-URIDINE-C1,5"-DIPHOSPHATE ' non-polymer 60 36 M
GUM GUM '4-METHYL-UMBELLIFERYL-N-ACETYL-CHITO' non-polymer 75 41 M
GUN GUN 'GUANINE ' non-polymer 16 11 M
GUP GUP 'BETA-L-GULOPYRANOSIDE ' non-polymer 24 12 M
GUR GUR 'GLYCOLURIL ' non-polymer 16 10 M
GW3 GW3 '7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F' non-polymer 39 20 M
H2B H2B '2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8' non-polymer 30 17 M
H2P H2P 'HEPTULOSE-2-PHOSPHATE ' non-polymer 32 17 M
H4B H4B '5,6,7,8-TETRAHYDROBIOPTERIN ' non-polymer 32 17 M
H5M H5M 'TRANS-3-HYDROXY-5-METHYLPROLINE ' non-polymer 21 10 M
H5P H5P 'HYDANTOCIDIN-5"-PHOSPHATE ' non-polymer 30 19 M
HAA HAA '2-(3,4-DIHYDROXYPHENYL)ACETIC ACID ' non-polymer 20 12 M
HAB HAB '2-((4"-HYDROXYPHENYL)-AZO)BENZOIC AC' non-polymer 28 18 M
HAC HAC 'BETA-CYCLOHEXYL-ALANINE ' non-polymer 29 12 M
HAD HAD '(CARBOXYHYDROXYAMINO)ETHANOIC ACID ' non-polymer 14 9 M
HAE HAE '2-HYDROXYAMINO-2-ETHANAL ' non-polymer 10 5 M
HAG HAG '4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO' non-polymer 64 31 M
HAI HAI 'CYCLOHEXYLAMMONIUM ION ' non-polymer 21 7 M
HAM HAM 'HISTIDYL-ADENOSINE MONOPHOSPHATE ' non-polymer 54 33 M
HAP HAP '(N-(2-HYDROXAMATEMETHYLENE-4-METHYL-' non-polymer 52 25 M
HAR HAR 'N-OMEGA-HYDROXY-L-ARGININE ' non-polymer 27 13 M
HAV HAV 'HYDROXYAMINOVALINE ' non-polymer 21 9 M
HAX HAX 'N-HYDROXYAMIDOCARBOXYMETHYLDETHIA CO' non-polymer 91 52 M
HAZ HAZ '4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHY' non-polymer 66 33 M
HBA HBA 'P-HYDROXYBENZALDEHYDE ' non-polymer 15 9 M
HBD HBD '4-HYDROXYBENZAMIDE ' non-polymer 17 10 M
HBI HBI '7,8-DIHYDROBIOPTERIN ' non-polymer 30 17 M
HBY HBY '(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3' non-polymer 42 22 M
HC0 HC0 '2 IRON/2 SULFUR/6 CARBONYL/1 WATER I' non-polymer 19 17 M
HC1 HC1 '2 IRON/2 SULFUR/5 CARBONYL/2 WATER I' non-polymer 20 16 M
HC4 HC4 '4"-HYDROXYCINNAMIC ACID ' non-polymer 20 12 M
HCI HCI 'HYDROCINNAMIC ACID ' non-polymer 21 11 M
HDA HDA 'HADACIDIN ' non-polymer 13 8 M
HDF HDF '8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHY' non-polymer 43 26 M
HDS HDS '1-HEXADECANOSULFONIC ACID ' non-polymer 54 20 M
HDZ HDZ 'NITROGEN OF METHYLHYDRAZINE ' non-polymer 2 2 M
HE1 HE1 '4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHO' non-polymer 29 16 M
HE6 HE6 '6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHY' non-polymer 61 37 M
HEA HEA 'HEME-A ' non-polymer 122 60 M
HEE HEE 'N-HEXYLPHOSPHONATE ETHYL ESTER ' non-polymer 31 12 M
HEF HEF '1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL' non-polymer 37 21 M
HEG HEG 'PROTOPORPHYRIN IX CONTAINING MG ' non-polymer 75 43 M
HEP HEP 'PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHO' non-polymer 45 23 M
HEX HEX 'HEXANE ' non-polymer 20 6 M
HEZ HEZ 'HEXANE-1,6-DIOL ' non-polymer 22 8 M
HF1 HF1 '4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUT' non-polymer 29 17 M
HFA HFA 'ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ' non-polymer 22 12 M
HFP HFP 'ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID' non-polymer 53 20 M
HGA HGA 'GLUTAMINE HYDROXAMATE ' non-polymer 21 11 M
HGB HGB '4-(HYDROXYMERCURY)BENZOIC ACID ' non-polymer 17 11 M
HGU HGU 'N-HYDROXYGUANIDINE ' non-polymer 10 5 M
HHO HHO '1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-' non-polymer 33 12 M
HHP HHP '6-HYDROXYMETHYL-7,8-DIHYDROPTERIN ' non-polymer 23 14 M
HIB HIB '4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-MET' non-polymer 27 16 M
HIC HIC '4-METHYL-HISTIDINE ' non-polymer 23 12 M
HII HII '2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL' non-polymer 21 11 M
HIN HIN '(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYL' non-polymer 43 22 M
HIO HIO 'N-HYDROXY-N-ISOPROPYLOXAMIC ACID ' non-polymer 19 10 M
HIP HIP 'ND1-PHOSPHONOHISTIDINE ' non-polymer 26 15 M
HLE HLE '3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC' non-polymer 28 13 M
HMA HMA 'HYDROXYAMINOALANINE ' non-polymer 15 7 M
HMB HMB '4-HYDROXY-4-METHOXYBUTANAL ' non-polymer 18 8 M
HMC HMC '5-HYDROXYMETHYL-CHONDURITOL ' non-polymer 24 12 M
HMF HMF '2-AMINO-4-PHENYL-BUTYRIC ACID ' non-polymer 26 13 M
HMG HMG '3-HYDROXY-3-METHYLGLUTARYL-COENZYME ' non-polymer 97 58 M
HMI HMI '2-HYDROXYCARBAMOYL-4-METHYL-PENTANOI' non-polymer 25 12 M
HMP HMP '1-HYDROXYAMINE-2-ISOBUTYLMALONIC ACI' non-polymer 25 12 M
HMR HMR 'BETA-HOMOARGININE ' non-polymer 29 13 M
HNI HNI 'PROTOPORPHYRIN IX CONTAINING NI(II) ' non-polymer 75 43 M
HNP HNP 'HYDANTOCIDIN-5"-MONOPHOSPHATE ' non-polymer 30 19 M
HOA HOA 'HYDROXYAMINO GROUP ' non-polymer 4 2 M
HOE HOE '2"-(4-HYDROXYPHENYL)-5-(4-METHYL-1-P' non-polymer 57 32 M
HOM HOM '7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHY' non-polymer 28 16 M
HOP HOP '(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-P' non-polymer 55 28 M
HP1 HP1 'IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POL' non-polymer 88 48 M
HP3 HP3 '2,3-PROPANDIOL ' non-polymer 13 5 M
HPB HPB '2-HYDROXY-3-AMINO-4-PHENYL BUTANE ' non-polymer 27 12 M
HPG HPG 'HYDROXYPROPYLOXY GROUP ' non-polymer 12 5 M
HPH HPH 'PHENYLALANINOL GROUP ' non-polymer 23 11 M
HPP HPP 'HYDROXYPHENYL PROPIONIC ACID ' non-polymer 22 12 M
HPR HPR '6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOS' non-polymer 33 19 M
HQU HQU '3-HYDROXYQUINALDIC ACID ' non-polymer 21 14 M
HRI HRI 'ALPHA-CHLOROISOCAPROIC ACID ' non-polymer 20 9 M
HSM HSM 'HISTAMINE ' non-polymer 17 8 M
HSO HSO 'HISTIDINOL ' non-polymer 20 10 M
HSP HSP '4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHO' non-polymer 32 17 M
HT1 HT1 '2"-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PI' non-polymer 62 34 M
HT2 HT2 '5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-B' non-polymer 48 30 M
HTA HTA 'N-[3-(N"-HYDROXYCARBOXAMIDO)-2-(2-ME' non-polymer 56 27 M
HTO HTO 'HEPTANE-1,2,3-TRIOL ' non-polymer 26 10 M
HTP HTP '4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5' non-polymer 26 14 M
HTR HTR 'BETA-HYDROXYTRYPTOPHANE ' non-polymer 28 16 M
HUP HUP 'HUPERAINE A ' non-polymer 38 18 M
HV5 HV5 'TERT-BUTYLALANINE ' non-polymer 22 9 M
HV7 HV7 '1-METHYLAMINE-2-HYDROXY-4-METHOXY-BE' non-polymer 22 11 M
HV8 HV8 'BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTA' non-polymer 49 25 M
HXC HXC 'HEXANOYL-COENZYME A ' non-polymer 101 55 M
HXP HXP '3,6-DIHYDROXY-XANTHENE-9-PROPIONIC A' non-polymer 35 21 M
HY1 HY1 'PHENYLACETALDEHYDE ' non-polymer 17 9 M
HYA HYA '2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACI' non-polymer 19 10 M
HYB HYB '[2-(2-METHYL-PROPANE-2-SULFONYLMETHY' non-polymer 82 40 M
I10 I10 '1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]A' non-polymer 65 34 M
I11 I11 '[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRI' non-polymer 68 32 M
I2P I2P 'D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE ' non-polymer 39 24 M
I3N I3N '1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL' non-polymer 42 23 M
I3P I3P 'D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE ' non-polymer 39 24 M
I48 I48 'N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)' non-polymer 49 27 M
I4B I4B 'ISOBUTYLBENZENE ' non-polymer 24 10 M
IA IA '2"-(3-IODOPHENYL)-5-(4-METHYL-1-PIPE' non-polymer 56 32 M
IAS IAS 'ASPARTYL GROUP ' non-polymer 14 8 M
IB IB '2"-(3-IODO-4-METHOXYPHENYL)-5-(4-MET' non-polymer 60 34 M
IB2 IB2 'P1-P2-METHYLENE-P3-THIO-DIADENOSINE ' non-polymer 78 49 M
IBB IBB '5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPH' non-polymer 50 30 M
IBR IBR 'ACETAT ' non-polymer 28 16 M
IBZ IBZ '2-IODOBENZYLTHIO GROUP ' non-polymer 15 9 M
ICA ICA 'ISOCITRATE CALCIUM COMPLEX ' non-polymer 21 14 M
ICI ICI 'ISOCITRIC ACID ' non-polymer 21 13 M
ICL ICL 'TERT-BU ' non-polymer 47 24 M
ICU ICU 'METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMIN' non-polymer 32 19 M
ID2 ID2 '5-IODODEOXYURIDINE ' non-polymer 28 17 M
IDC IDC '5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-I' non-polymer 47 25 M
IDG IDG 'O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDO' non-polymer 26 12 M
IDM IDM 'INDOLINE ' non-polymer 18 9 M
IDP IDP 'INOSINE-5"-DIPHOSPHATE ' non-polymer 41 27 M
IDS IDS 'O2-SULFO-GLUCURONIC ACID ' non-polymer 27 17 M
IDU IDU '1,4-DIDEOXY-O2-SULFO-GLUCURONIC ACID' non-polymer 25 15 M
IGL IGL 'ALPHA-AMINO-2-INDANACETIC ACID ' non-polymer 27 14 M
IGP IGP 'INDOLE-3-GLYCEROL PHOSPHATE ' non-polymer 33 19 M
IGU IGU '2"-DEOXYISOGUANINE GROUP ' non-polymer 35 22 M
IHB IHB '3-IODO-4-HYDROXYBENZOIC ACID ' non-polymer 16 11 M
IHN IHN 'CARBONYL-2-HYDROXY-5-METHYLH ' non-polymer 111 48 M
IHP IHP 'INOSITOL HEXAPHOSPHATE ' non-polymer 54 36 M
IIC IIC '4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CH' non-polymer 36 19 M
IIL IIL 'ISO-ISOLEUCINE ' non-polymer 22 9 M
IIN IIN '2-METHYL-3-AMINO-3-PHENYLISOINDOL-1-' non-polymer 32 18 M
IIP IIP 'IMIDAZOLE-PYRROLE POLYAMIDE ' non-polymer 88 47 M
IK2 IK2 '4"-DEOXY-4"-ACETYLYAMINO-PYRIDOXAL-5' non-polymer 36 21 M
IKT IKT '3-(1-AMINOETHYL)NONANEDIOIC ACID ' non-polymer 37 16 M
IM1 IM1 '(2R,4S,5S,1"S)-2-PHENYLMETHYL-4-HYDR' non-polymer 81 39 M
IM2 IM2 '3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL)' non-polymer 39 20 M
IMC IMC '2"-DEOXY-5-METHYLISOCYTOSINE ' non-polymer 35 20 M
IMG IMG '1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZA' non-polymer 35 20 M
IMH IMH '1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPO' non-polymer 33 19 M
IMI IMI '2-IMINOBIOTIN ' non-polymer 33 16 M
IML IML 'N-METHYL-ISOLEUCINE ' non-polymer 25 10 M
IMM IMM '1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL' non-polymer 41 25 M
IMN IMN 'INDOMETHACIN ' non-polymer 41 25 M
IMO IMO '6-O-PHOSPHORYL INOSINE MONOPHOSPHATE' non-polymer 41 27 M
IMU IMU 'MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3' non-polymer 40 24 M
IN1 IN1 'PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GL' non-polymer 47 23 M
IN2 IN2 'N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSIN' non-polymer 33 15 M
IN3 IN3 '1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5' non-polymer 73 40 M
IN4 IN4 'PENTAN ' non-polymer 50 26 M
IN5 IN5 '{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY' non-polymer 40 22 M
IN6 IN6 'N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3' non-polymer 82 43 M
IN7 IN7 '[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENE' non-polymer 48 26 M
IN8 IN8 '[2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-Y' non-polymer 46 28 M
IN9 IN9 '2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2' non-polymer 37 27 M
INA INA '1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCIN' non-polymer 82 42 M
INB INB '1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-G' non-polymer 89 35 M
INC INC '2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PE' non-polymer 31 14 M
IND IND 'INDOLE ' non-polymer 16 9 M
INN INN 'PENTANOYL)L-3-(TERT-BUTYL) ' non-polymer 66 29 M
INO INO '2-HYDROXYISONICOTINIC ACID N-OXIDE ' non-polymer 16 11 M
INP INP '4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/' non-polymer 85 42 M
INS INS '1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE ' non-polymer 24 12 M
INU INU 'N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHY' non-polymer 63 34 M
INY INY 'CARPROPAMIDE ' non-polymer 38 20 M
IOB IOB '3-IODO-BENZYL ALCOHOL ' non-polymer 16 9 M
IOP IOP 'INDOLYLPROPIONIC ACID ' non-polymer 25 14 M
IP2 IP2 'D-MYO-INOSITOL-4,5-DIPHOSPHATE ' non-polymer 34 20 M
IP3 IP3 '1-HYDROXY-3-METHYLBUTANE ' non-polymer 18 6 M
IP4 IP4 '1-METHYL-2-OXY-5,5-DIMETHYL PYRROLID' non-polymer 22 9 M
IPD IPD 'D-MYO-INOSITOL-1-PHOSPHATE ' non-polymer 27 16 M
IPL IPL 'MONOIMIDAZOLE LEXITROPSIN ' non-polymer 58 31 M
IPM IPM '3-ISOPROPYLMALIC ACID ' non-polymer 24 12 M
IPN IPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 34 20 M
IPO IPO 'PARA-IODO-D-PHENYLALANINE HYDROXAMIC' non-polymer 25 14 M
IPP IPP '(P-IODOPHENYLACETYLAMINO)METHYLPHOSP' non-polymer 26 15 M
IPT IPT 'ISOPROPYL-1-BETA-D-THIOGALACTOSIDE ' non-polymer 33 15 M
IPY IPY 'IMIDAZOLE-PYRROLE POLYAMIDE ' non-polymer 89 47 M
IQB IQB 'N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-' non-polymer 47 27 M
IQP IQP '1-(5-ISOQUINOLINESULFONYL)-2-METHYLP' non-polymer 37 20 M
IQS IQS 'N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOL' non-polymer 33 18 M
IRP IRP '(1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DI' non-polymer 38 23 M
ISA ISA '3-(4-IODO-PHENYL)-2-MERCAPTO-PROPION' non-polymer 22 13 M
ISF ISF 'P-(2"-IODO-5"-THENOYL)HYDROTROPIC AC' non-polymer 30 19 M
ISO ISO 'PARA-ISOPROPYLANILINE ' non-polymer 23 10 M
ISP ISP 'PHOSPHORYLISOPROPANE ' non-polymer 17 8 M
ISQ ISQ 'ISOQUINOLINE ' non-polymer 17 10 M
ITM ITM 'ISOCITRIC ACID-MAGNESIUM COMPLEX ' non-polymer 21 14 M
ITR ITR 'IMINO-TRYPTOPHAN ' non-polymer 25 15 M
ITS ITS 'INOSITOL 1,3,4,5-TETRAKISPHOSPHATE ' non-polymer 44 28 M
ITU ITU 'ETHYLISOTHIOUREA ' non-polymer 14 6 M
IU5 IU5 'ISO-URSODEOXYCHOLIC ACID ' non-polymer 68 28 M
IYG IYG 'N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYC' non-polymer 36 22 M
IYR IYR '3-IODO-TYROSINE ' non-polymer 24 14 M
J77 J77 '(METHYLPYRIDAZINE PIPERIDINE ETHYLOX' non-polymer 54 27 M
J78 J78 '(METHYLPYRIDAZINE PIPERIDINE PROPYLO' non-polymer 57 28 M
J80 J80 '(METHYLPYRIDAZINE PIPERIDINE BUTYLOX' non-polymer 60 29 M
JEN JEN '3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PI' non-polymer 41 21 M
K21 K21 '4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIO' non-polymer 62 30 M
KAI KAI '3-CARBOXYMETHYL-4-ISOPROPYL-PYRROLID' non-polymer 32 15 M
KAN KAN 'KANAMYCIN A ' non-polymer 69 33 M
KDO KDO '3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID ' non-polymer 30 16 M
KET KET '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 40 24 M
KNI KNI '(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUI' non-polymer 87 46 M
KPH KPH 'LYSINE PHOSPHINIC ACID GROUP ' non-polymer 24 10 M
KTH KTH '2-KETOTHIAZOLE ' non-polymer 10 7 M
L04 L04 '6-(4"-FLUORO-BIPHENYL-4-YL)-4-(3-MET' non-polymer 100 52 M
LAC LAC 'LACTIC ACID ' non-polymer 12 6 M
LCS LCS 'L-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer 38 22 M
LDP LDP 'L-DOPAMINE ' non-polymer 22 11 M
LEA LEA 'LEVULINIC ACID ' non-polymer 17 7 M
LEO LEO 'D-LIMONENE 1,2-EPOXIDE ' non-polymer 27 11 M
LGP LGP 'GUANOSINE-5"-MONOPHOSPHAT ' non-polymer 36 22 M
LI1 LI1 '1-[2,6,10.14-TETRAMETHYL-HEXADECAN-1' non-polymer 131 45 M
LIP LIP 'L-MYO-INOSITOL-1-PHOSPHATE ' non-polymer 27 16 M
LLY LLY 'NZ-(DICARBOXYMETHYL)LYSINE ' non-polymer 33 17 M
LML LML 'ISOBUTYL MALONIC ACID ' non-polymer 23 11 M
LMT LMT 'DODECYL-BETA-D-MALTOSIDE ' non-polymer 81 35 M
LNO LNO 'L-LEUCYL-HYDROXYLAMINE ' non-polymer 24 10 M
LOF LOF '3-PHENYL-LACTIC ACID ' non-polymer 22 12 M
LOL LOL 'LEUCINOL ' non-polymer 23 8 M
LOM LOM 'THIAZOLE ' non-polymer 8 5 M
LOV LOV '5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METH' non-polymer 41 16 M
LP1 LP1 '4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL' non-polymer 116 58 M
LP2 LP2 'N2-[[[3-NAPHTYL-N-METHYLCARBONYL-ALA' non-polymer 116 58 M
LPA LPA 'LIPOIC ACID ' non-polymer 26 12 M
LPC LPC '[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONY' non-polymer 78 31 M
LPF LPF '1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUC' non-polymer 49 26 M
LPL LPL 'LEU-HYDROXYETHYLENE-LEU ' non-polymer 44 17 M
LPM LPM '6,8-DIMERCAPTO-OCTANOIC ACID AMIDE ' non-polymer 29 12 M
LTA LTA '4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ' non-polymer 37 15 M
LTR LTR 'L-TRYPTOPHAN ' non-polymer 27 15 M
LYC LYC 'LYCOPENE ' non-polymer 96 40 M
LYM LYM 'DEOXY-METHYL-LYSINE ' non-polymer 26 10 M
LYT LYT 'BUTYLAMINE ' non-polymer 16 5 M
LYW LYW '1-AMINO-1-CARBONYL PENTANE ' non-polymer 20 8 M
LYZ LYZ '5-HYDROXYLYSINE ' non-polymer 25 11 M
M1A M1A '6-AMINO-1-METHYLPURINE ' non-polymer 19 11 M
M3L M3L 'N-TRIMETHYLLYSINE ' non-polymer 34 13 M
M6P M6P 'ALPHA-D-MANNOSE-6-PHOSPHATE ' non-polymer 29 16 M
M6T M6T 'DIPHOSPHAT ' non-polymer 47 27 M
M7G M7G '7N-METHYL-8-HYDROGUANOSINE-5"-DIPHOS' non-polymer 48 29 M
MA1 MA1 '1,4-DITHIO-ALPHA-D-MANNOSE ' non-polymer 24 12 M
MA2 MA2 '4-METHYLTHIO-ALPHA-D-MANNOSE ' non-polymer 27 13 M
MA3 MA3 'O1-METHYL-4-THIO-ALPHA-D-MANNOSE ' non-polymer 27 13 M
MA4 MA4 'CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE ' non-polymer 79 35 M
MA6 MA6 '6N-DIMETHYLADENOSINE-5"-MONOPHOSHATE' non-polymer 43 25 M
MAA MAA 'N-METHYLALANINE ' non-polymer 16 7 M
MAC MAC 'MERCURY ACETATE ION ' non-polymer 8 5 M
MAI MAI 'DEOXO-METHYLARGININE ' non-polymer 30 12 M
MAK MAK 'ALPHA-KETOMALONIC ACID ' non-polymer 10 8 M
MAP MAP 'MAGNESIUM-5"-ADENYLY-IMIDO-TRIPHOSPH' non-polymer 48 32 M
MAR MAR '4"-EPI-4"-(2-DEOXYFUCOSE)DAUNOMYCIN ' non-polymer 86 47 M
MAS MAS 'DIMETHYLAMINOSULFONYL GROUP ' non-polymer 12 6 M
MAT MAT '2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-' non-polymer 32 13 M
MBA MBA '2-METHYLBUTYLAMINE ' non-polymer 19 6 M
MBG MBG 'METHYL-BETA-GALACTOSE ' non-polymer 27 13 M
MBH MBH '1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZ' non-polymer 28 13 M
MBN MBN 'TOLUENE ' non-polymer 15 7 M
MBO MBO 'MERCURIBENZOIC ACID ' non-polymer 15 10 M
MBR MBR 'TRIBROMOMETHANE ' non-polymer 5 4 M
MCA MCA 'METHYLMALONYL-COENZYME A ' non-polymer 95 55 M
MCD MCD 'METHYLMALONYL(CARBADETHIA)-COENZYME ' non-polymer 97 55 M
MCE MCE 'CHLOROETHYL GROUP ' non-polymer 7 3 M
MCN MCN 'PTERIN CYTOSINE DINUCLEOTIDE ' non-polymer 66 44 M
MCP MCP '2-CARBOXY-4-METHYLPIPERIDINE ' non-polymer 23 10 M
MCY MCY 'N-METHYLCYSTEINE ' non-polymer 17 8 M
MD2 MD2 'N,N"-BIS(2,3-BUTADIENYL)-1,4-BUTANE-' non-polymer 34 14 M
MDA MDA '2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOS' non-polymer 25 11 M
MDC MDC 'N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLA' non-polymer 49 28 M
MDG MDG '7N-METHYL-8-HYDROGUANOSINE-5"-DIPHOS' non-polymer 48 29 M
MDH MDH 'N-METHYLDEHYDROBUTYRINE ' non-polymer 17 8 M
MDL MDL '[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL' non-polymer 69 40 M
MDM MDM 'METHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-D-' non-polymer 48 24 M
MDP MDP 'N-CARBOXY-N-METHYL-MURAMIC ACID ' non-polymer 40 21 M
MEB MEB 'ONE HALF OF PARA-XYLENE ' non-polymer 9 4 M
MEN MEN 'N-METHYL ASPARAGINE ' non-polymer 20 10 M
MEV MEV '(R)-MEVALONATE ' non-polymer 21 10 M
MF2 MF2 'CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBA' non-polymer 49 19 M
MF3 MF3 '2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BU' non-polymer 20 12 M
MFB MFB 'BETA-L-METHYL-FUCOSE ' non-polymer 26 12 M
MFD MFD '(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,' non-polymer 53 24 M
MFU MFU 'ALPHA-L-METHYL-FUCOSE ' non-polymer 26 12 M
MG7 MG7 '7-METHYLGUANOSINE ' non-polymer 37 21 M
MGA MGA 'BETA-METHYL-D-GALACTOSIDE ' non-polymer 27 13 M
MGD MGD '2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,' non-polymer 73 47 M
MGL MGL 'O1-METHYL-GLUCOSE ' non-polymer 27 13 M
MGN MGN '2-METHYL-GLUTAMINE ' non-polymer 23 11 M
MGT MGT '7N-METHYL-8-HYDROGUANOSINE-5"-TRIPHO' non-polymer 53 33 M
MGY MGY 'N-METHYLGLYCINE ' non-polymer 13 6 M
MHB MHB '2-((3"-METHYL-4"-HYDROXYPHENYL)AZO)B' non-polymer 31 19 M
MHF MHF '5,10-METHENYL-6,7,8-TRIHYDROFOLIC AC' non-polymer 56 33 M
MHL MHL 'N-METHYL-4-HYDROXY-LEUCINE ' non-polymer 26 11 M
MHM MHM '[7,12-DIETHYL-3,8,13,17-TETRAMETHYL-' non-polymer 75 43 M
MHO MHO 'S-OXYMETHIONINE ' non-polymer 21 10 M
MHS MHS 'N1-METHYLATED HISTIDINE ' non-polymer 23 12 M
MIA MIA '2-METHYLTHIO-N6-ISOPENTENYL-ADENOSIN' non-polymer 56 30 M
MIC MIC 'ALPHA-METHYLISOCITRIC ACID ' non-polymer 24 14 M
MID MID 'N==ALPHA==(2-NAPHTHYL-SULFONYL-GLYCY' non-polymer 68 37 M
MIL MIL 'MILRINONE ' non-polymer 25 16 M
MIM MIM '[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-' non-polymer 95 43 M
MIN MIN 'METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCI' non-polymer 62 28 M
MIP MIP 'MONOISOPROPYL ESTER PHOSPHONIC ACID ' non-polymer 15 7 M
MIS MIS 'MONOISOPROPYLPHOSPHORYLSERINE ' non-polymer 28 14 M
MIT MIT 'ARGATROBAN ' non-polymer 71 35 M
MK1 MK1 'BUTYLAMINOCARBONYL)-4(3-PYRID ' non-polymer 92 45 M
MKC MKC '6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL ' non-polymer 44 22 M
MLC MLC 'MALONYL-COENZYME A ' non-polymer 92 54 M
MLY MLY 'N-DIMETHYL-LYSINE ' non-polymer 30 12 M
MLZ MLZ 'N-METHYL-LYSINE ' non-polymer 27 11 M
MM4 MM4 'MOLYBDENUM (IV) OXIDE ' non-polymer 3 3 M
MMC MMC 'METHYL MERCURY ION ' non-polymer 5 2 M
MMP MMP 'N-METHYLMESOPORPHYRIN ' non-polymer 83 43 M
MMT MMT '5"-O-(DIMETHYLAMINO)-THYMIDINE ' non-polymer 39 20 M
MN1 MN1 '4-CARBOXYPIPERIDINE ' non-polymer 20 9 M
MN2 MN2 '1-CARBOXYETHYLAMINOMETHYL-4-AMINOMET' non-polymer 32 15 M
MN7 MN7 '1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZE' non-polymer 32 15 M
MN8 MN8 '2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BE' non-polymer 39 21 M
MNA MNA '2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURA' non-polymer 43 22 M
MNC MNC 'METHYL ISOCYANIDE ' non-polymer 6 3 M
MNG MNG 'MENOGARIL ' non-polymer 70 39 M
MNL MNL '4,N-DIMETHYLNORLEUCINE ' non-polymer 28 11 M
MNO MNO '(3S)-N-METHANESULFONYL-3-({1-[N-(2-N' non-polymer 70 38 M
MNP MNP '2-(3-NITROPHENYL)ACETIC ACID ' non-polymer 20 13 M
MNQ MNQ 'M-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer 36 25 M
MNS MNS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer 31 17 M
MNT MNT '2"(3")-O-N-METHYLANTHRANILOYL-ADENOS' non-polymer 58 36 M
MNV MNV 'N-METHYL-C-AMINO VALINE ' non-polymer 23 9 M
MO2 MO2 'MAGNESIUM ION, 2 WATERS COORDINATED ' non-polymer 7 3 M
MO3 MO3 'MAGNESIUM ION, 3 WATERS COORDINATED ' non-polymer 10 4 M
MOB MOB 'ACI ' non-polymer 36 22 M
MOC MOC '2,6-DIAMINO-5-METHYL-4,7-DIOXO-2,3,4' non-polymer 38 22 M
MOL MOL '3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-' non-polymer 39 20 M
MOO MOO 'MOLYBDATE ION ' non-polymer 5 5 M
MOP MOP '4-METHYLPENTANAL ' non-polymer 19 7 M
MOR MOR 'N-CARBONYLMORPHOLINE ' non-polymer 17 8 M
MOT MOT 'N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDI' non-polymer 54 32 M
MP3 MP3 '3-PHOSPHOGLYCERIC ACID ' non-polymer 18 11 M
MPA MPA '(1R)-MENTHYL HEXYL PHOSPHONATE GROUP' non-polymer 51 19 M
MPB MPB '4-HYDROXY-BENZOIC ACID METHYL ESTER ' non-polymer 19 11 M
MPC MPC '(1S)-MENTHYL HEXYL PHOSPHONATE GROUP' non-polymer 51 19 M
MPH MPH '(1-AMINO-3-METHYLSULFANYL-PROPYL)-PH' non-polymer 22 10 M
MPI MPI 'IMIDAZO[1,2-A]PYRIDINE ' non-polymer 16 9 M
MPJ MPJ '(1-AMINO-3-METHYLSULFANYL-PROPYL)-PH' non-polymer 21 9 M
MPL MPL 'N-METHYL-PYRIDOXAL-5'-PHOSPHATE ' non-polymer 30 17 M
MPP MPP '3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACI' non-polymer 29 15 M
MPS MPS 'METHYLPHOSPHINIC ACID ' non-polymer 9 4 M
MQ0 MQ0 '(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-D' non-polymer 48 28 M
MQ7 MQ7 'MENAQUINONE-7 ' non-polymer 112 48 M
MQI MQI '2-METHYL-8-QUINOLINESULFONYL ' non-polymer 22 14 M
MR2 MR2 '3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCH' non-polymer 46 31 M
MRC MRC 'MUPIROCIN ' non-polymer 79 35 M
MRP MRP '3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE ' non-polymer 26 12 M
MS2 MS2 '2,2-DICHLORO-1-METHANESULFINYL-3-MET' non-polymer 37 21 M
MSA MSA '(2-S-METHYL) SARCOSINE ' non-polymer 17 8 M
MSB MSB '1-METHYLOXY-4-SULFONE-BENZENE ' non-polymer 18 11 M
MSH MSH '3-METHANESULFONYL-HEXANE ' non-polymer 26 10 M
MSU MSU 'SUCCINIC ACID MONOMETHYL ESTER ' non-polymer 17 9 M
MTA MTA '5"-DEOXY-5"-METHYLTHIOADENOSINE ' non-polymer 35 20 M
MTB MTB '2-((3"-TERTBUTYL-4"-HYDROXYPHENYL)AZ' non-polymer 40 22 M
MTC MTC '[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTR' non-polymer 43 26 M
MTE MTE 'ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-O' non-polymer 38 24 M
MTF MTF 'N-METHYLTHIOFORMAMIDE ' non-polymer 9 4 M
MTS MTS '(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYD' non-polymer 32 18 M
MTT MTT 'MALTOTETRAOSE ' non-polymer 87 45 M
MTY MTY 'META-TYROSINE ' non-polymer 24 13 M
MUG MUG '4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE' non-polymer 42 24 M
MUP MUP 'METHOXYUNDECYLPHOSPHINIC ACID ' non-polymer 43 16 M
MUR MUR 'MURAMIC ACID ' non-polymer 34 17 M
MW2 MW2 'MANGANESE DIHYDRATE ION ' non-polymer 7 3 M
MXA MXA '6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PY' non-polymer 43 24 M
MXY MXY '2-O-METHYL FUCOSE ' non-polymer 26 12 M
MYG MYG 'GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITO' non-polymer 46 23 M
MYT MYT 'METYRAPONE ' non-polymer 31 17 M
MZM MZM '5-ACETAMIDO-4-METHYL-1,3,4-THIADIAZO' non-polymer 23 14 M
N5M N5M 'ANY 5"-MONOPHOSPHATE NUCLEOTIDE ' non-polymer 24 13 M
N1T N1T 'DIPHOSPHAT ' non-polymer 45 26 M
N25 N25 '1,3-BIS-(4-METHOXY-BENZENESULFONYL)-' non-polymer 61 34 M
N2B N2B 'ETHYLBENZENE ' non-polymer 18 8 M
N3T N3T 'DIPHOSPHAT ' non-polymer 45 26 M
N4B N4B 'N-BUTYLBENZENE ' non-polymer 24 10 M
NA5 NA5 'SODIUM ION, 5 WATERS COORDINATED ' non-polymer 16 6 M
NA6 NA6 'SODIUM ION, 6 WATERS COORDINATED ' non-polymer 19 7 M
NAA NAA 'N-ACETYL-D-ALLOSAMINE ' non-polymer 30 15 M
NAB NAB '2-((4"-HYDROXYNAPHTHYL)-AZO)BENZOIC ' non-polymer 34 22 M
NAC NAC '3-ACETYL PYRIDINE ADENINE DINUCLEOTI' non-polymer 72 44 M
NAE NAE 'NICOTINAMIDE ADENINE DINUCLEOTIDE AC' non-polymer 79 48 M
NAF NAF 'M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRI' non-polymer 32 17 M
NAH NAH 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE ' non-polymer 71 44 M
NAL NAL 'BETA-(2-NAPHTHYL)-ALANINE ' non-polymer 29 16 M
NAM NAM 'NAM NAPTHYLAMINOALANINE ' non-polymer 30 16 M
NAN NAN '5-N-ACETYL-ALPHA-D-NEURAMINIC ACID ' non-polymer 40 21 M
NAQ NAQ 'NICOTINAMIDE ADENINE DINUCLEOTIDE 3-' non-polymer 85 50 M
NAR NAR 'NARINGENIN ' non-polymer 32 20 M
NAS NAS '2-NAPHTHALENESULFONIC ACID ' non-polymer 22 14 M
NAW NAW 'SODIUM ION, 3 WATERS COORDINATED ' non-polymer 10 4 M
NAX NAX 'BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICO' non-polymer 76 45 M
NBD NBD 'N6-BENZYL-NICOTINAMIDE-ADENINE-DINUC' non-polymer 84 51 M
NBE NBE 'NITROSOBENZENE ' non-polymer 13 8 M
NBG NBG '1-N-ACETYL-BETA-D-GLUCOSAMINE ' non-polymer 30 15 M
NBP NBP 'NICOTINAMIDE 8-BROMO-ADENINE DINUCLE' non-polymer 76 49 M
NBU NBU 'N-BUTANE ' non-polymer 14 4 M
NBZ NBZ 'NITROBENZENE ' non-polymer 14 9 M
NCA NCA 'NICOTINAMIDE ' non-polymer 15 9 M
NCM NCM 'NORCAMPHOR ' non-polymer 18 8 M
NCR NCR '2-NITRO-P-CRESOL ' non-polymer 18 11 M
NCS NCS 'SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDR' non-polymer 84 48 M
NDC NDC 'NICOTINAMIDE ADENINE DINUCLEOTIDE CY' non-polymer 86 51 M
NDD NDD '2,6-DICARBOXYNAPHTHALENE ' non-polymer 24 16 M
NDO NDO 'NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-AD' non-polymer 75 48 M
NDT NDT '2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1' non-polymer 34 21 M
NEB NEB '2-DEOXY-D-STREPTAMINE ' non-polymer 26 11 M
NEC NEC 'ADENOSIN ' non-polymer 38 22 M
NED NED '2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUC' non-polymer 28 12 M
NEN NEN '1-ETHYL-PYRROLIDINE-2,5-DIONE ' non-polymer 18 9 M
NEO NEO 'NEOPTERIN ' non-polymer 29 18 M
NEP NEP 'N1-PHOSPHONOHISTIDINE ' non-polymer 25 15 M
NET NET 'TETRAETHYLAMMONIUM ION ' non-polymer 29 9 M
NEV NEV 'NEVIRAPINE ' non-polymer 34 20 M
NF NF 'N,N"-(3,7-DIAZANONYLENE)-BIS-NAPHTHA' non-polymer 69 39 M
NFA NFA 'PHENYLALANINE AMIDE ' non-polymer 24 12 M
NFE NFE 'NI-FE ACTIVE CENTER ' non-polymer 10 9 M
NFP NFP '3-AMINO-5-PHENYLPENTANE ' non-polymer 29 12 M
NGA NGA 'N-ACETYL-D-GALACTOSAMINE ' non-polymer 30 15 M
NGL NGL 'ACETYLGALACTOSAMINE-4-SULFATE ' non-polymer 34 19 M
NGS NGS 'N-ACETYL-D-GLUCOSAMINE-6-SULFATE GRO' non-polymer 33 19 M
NGU NGU 'U-58872, HYDROXY DERIVATIVE OF NOGAL' non-polymer 106 57 M
NHD NHD 'NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE' non-polymer 70 44 M
NHM NHM 'S-(2-OXO)PENTADECYLCOA ' non-polymer 128 64 M
NHP NHP '4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONI' non-polymer 32 16 M
NHR NHR '2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLI' non-polymer 57 35 M
NHS NHS '10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID ' non-polymer 57 35 M
NI1 NI1 'NICKEL ION, 1 WATER COORDINATED ' non-polymer 4 2 M
NI2 NI2 'NICKEL (II) ION, 2 WATERS COORDINATE' non-polymer 7 3 M
NIC NIC 'NITROISOCITRIC ACID ' non-polymer 20 13 M
NIO NIO 'NICOTINIC ACID ' non-polymer 14 9 M
NIP NIP '4-HYDROXY-5-IODO-3-NITROPHENYLACETYL' non-polymer 39 23 M
NIT NIT '4-NITROANILINE ' non-polymer 16 10 M
NIU NIU '6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PH' non-polymer 44 22 M
NIV NIV 'NEVIRAPINE ' non-polymer 34 20 M
NLP NLP '(1-AMINO-PENTYL)-PHOSPHONIC ACID ' non-polymer 24 10 M
NMA NMA 'N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer 41 22 M
NMB NMB '2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENO' non-polymer 75 41 M
NMC NMC 'N-CYCLOPROPYLMETHYL GLYCINE ' non-polymer 20 9 M
NMQ NMQ 'N-METHYL O-NITROPHENYL AMINOETHYLDIP' non-polymer 39 26 M
NMX NMX 'NITROMETHYLDETHIA COENZYME A ' non-polymer 88 51 M
NNO NNO '6-HYDROXYISONICOTINIC ACID N-OXIDE ' non-polymer 16 11 M
NO1 NO1 'NITROGEN OXIDE ' non-polymer 2 2 M
NOA NOA 'NAPHTHYLOXYACETIC ACID ' non-polymer 25 15 M
NOD NOD 'N-ETHYLHYDROXY-DOXORUBICIN ' non-polymer 75 42 M
NOJ NOJ '1-DEOXYNOJIRIMYCIN ' non-polymer 24 11 M
NON NON 'METHYL NONANOATE (ESTER) ' non-polymer 32 12 M
NOP NOP 'PYRIDOXAL-5"-PHOSPHATE-N-OXIDE ' non-polymer 27 17 M
NOR NOR 'CYCLOHEXYL-NORSTATINE ' non-polymer 42 17 M
NOS NOS 'INOSINE ' non-polymer 31 19 M
NOV NOV 'NOVOBIOCIN ' non-polymer 80 44 M
NOX NOX 'N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIP' non-polymer 50 24 M
N4H N4H '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer 40 22 M
NP3 NP3 '1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITR' non-polymer 33 20 M
NPA NPA '2-(4-HYDROXY-3-NITROPHENYL)ACETIC AC' non-polymer 21 14 M
NPC NPC '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer 39 22 M
NPE NPE '5-(PARA-NITROPHENYL PHOSPHONATE)-PEN' non-polymer 33 20 M
NPH NPH 'CYSTEINE-METHYLENE-CARBAMOYL-1,10-PH' non-polymer 41 25 M
NPI NPI '2-AMINOPIMELIC ACID ' non-polymer 25 12 M
NPL NPL 'N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5' non-polymer 33 17 M
NPN NPN 'N-PROPYL ISOCYANIDE ' non-polymer 12 5 M
NPO NPO 'P-NITROPHENOL ' non-polymer 15 10 M
NPP NPP 'N-(2-AMINO-ETHYL)-4,6-DINITRO-N"-(2,' non-polymer 55 28 M
NPT NPT 'NEOPENTYLAMINE ' non-polymer 19 6 M
NPY NPY 'NAPHTHYL GROUP ' non-polymer 17 10 M
NS1 NS1 'DIHYDRO-NEUROSPORENE ' non-polymer 102 40 M
NS5 NS5 'DIHYDRO-NEUROSPORENE ' non-polymer 102 40 M
NSA NSA '2,2-DICHLORO-N-PHENYL-ACETAMIDE ' non-polymer 19 12 M
NTA NTA 'NITRILOTRIACETIC ACID ' non-polymer 22 13 M
NTB NTB 'TERTIARY-BUTYLAMINO GROUP ' non-polymer 15 5 M
NTC NTC '2-HYDROXY-2-NITROMETHYL SUCCINIC ACI' non-polymer 20 13 M
NTM NTM 'QUINOLINIC ACID ' non-polymer 17 12 M
NTP NTP 'HEPARIN PENTASACCHARIDE ' non-polymer 160 100 M
NTS NTS 'NAPHTHALENE TRISULFONATE ' non-polymer 27 22 M
NTZ NTZ 'NOJIRIMYCINE TETRAZOLE ' non-polymer 24 14 M
NU1 NU1 '8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLI' non-polymer 21 13 M
NVA NVA 'NORVALINE ' non-polymer 19 8 M
NVI NVI '1-VINYLIMIDAZOLE ' non-polymer 14 7 M
O2 O2 'OXYGEN MOLECULE ' non-polymer 2 2 M
O4M O4M 'MANGANESE TETRAHYDRATE ION ' non-polymer 13 5 M
OAP OAP '4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-' non-polymer 73 36 M
OAR OAR 'N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDI' non-polymer 27 11 M
OBN OBN 'OUABAIN ' non-polymer 85 41 M
OC1 OC1 'CALCIUM ION, 1 WATER COORDINATED ' non-polymer 4 2 M
OC2 OC2 'CALCIUM ION, 2 WATERS COORDINATED ' non-polymer 7 3 M
OC4 OC4 'CALCIUM ION, 4 WATERS COORDINATED ' non-polymer 13 5 M
OC5 OC5 'CALCIUM ION, 5 WATERS COORDINATED ' non-polymer 16 6 M
OC6 OC6 'CALCIUM ION, 6 WATERS COORDINATED ' non-polymer 19 7 M
OC7 OC7 'CALCIUM ION, 7 WATERS COORDINATED ' non-polymer 22 8 M
OCL OCL 'COBALT ION, 1 WATER COORDINATED ' non-polymer 4 2 M
OCM OCM 'COBALT ION, 3 WATERS COORDINATED ' non-polymer 10 4 M
OCN OCN 'COBALT ION, 2 WATERS COORDINATED ' non-polymer 7 3 M
OCO OCO 'COBALT ION,6 WATERS COORDINATED ' non-polymer 19 7 M
OCP OCP 'OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLC' non-polymer 98 39 M
OCT OCT 'N-OCTANE ' non-polymer 26 8 M
OCY OCY 'HYDROXYETHYLCYSTEINE ' non-polymer 21 10 M
ODS ODS '4-METHYLPIPERAZIN-1-YL CARBONYL GROU' non-polymer 20 9 M
OET OET 'ETHYL GROUP ' non-polymer 7 2 M
OF1 OF1 'FERROUS ION, 1 WATER COORDINATED ' non-polymer 4 2 M
OFO OFO 'HYDROXY DIIRON-OXO MOIETY ' non-polymer 5 4 M
OHE OHE 'HYDROXYETHYL GROUP ' non-polymer 8 3 M
OHO OHO 'CYCLOHEXANE AMINOCARBOXYLIC ACID ' non-polymer 23 10 M
OHT OHT '4-HYDROXYTAMOXIFEN ' non-polymer 58 29 M
OIC OIC 'OCTAHYDROINDOLE-2-CARBOXYLIC ACID ' non-polymer 27 12 M
OIP OIP '2"-DEOXY-INOSINIC ACID ' non-polymer 35 22 M
OLE OLE '2-HYDROXY-4-METHYL-PENTANOIC ACID ' non-polymer 21 9 M
OLI OLI 'OLEIC ACID ' non-polymer 54 20 M
OLO OLO 'OLOMOUCINE ' non-polymer 40 22 M
OMD OMD '2-(3,6-DIHYDROXYPHENYL)ACETIC ACID ' non-polymer 20 12 M
OMP OMP 'OROTIDINE-5"-MONOPHOSPHATE ' non-polymer 37 24 M
OMT OMT 'S-DIOXYMETHIONINE ' non-polymer 22 11 M
ONL ONL '5-OXO-L-NORLEUCINE ' non-polymer 21 10 M
ONP ONP 'O-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer 36 25 M
OPG OPG 'OXIRANPSEUDOGLUCOSE ' non-polymer 24 12 M
OPH OPH '2-HYDROXY-3-PHENYL-PROPIONIC ACID ME' non-polymer 25 13 M
OPR OPR 'C-(3-OXOPROPYL)ARGININE ' non-polymer 33 15 M
ORO ORO 'OROTIC ACID ' non-polymer 15 11 M
ORP ORP '2-DEOXY-5-PHOSPHONO-RIBOSE ' non-polymer 24 13 M
OSS OSS '6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHY' non-polymer 41 18 M
OTB OTB 'TERTIARY-BUTOXYFORMIC ACID ' non-polymer 18 8 M
OTE OTE '2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]' non-polymer 55 21 M
OTG OTG 'ORTHO-TOLUOYLGLUCOSAMINE ' non-polymer 40 21 M
OVA OVA '3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[' non-polymer 47 21 M
OXA OXA 'OXYDIMETHYLENE GROUP ' non-polymer 7 3 M
OXE OXE 'ORTHO-XYLENE ' non-polymer 18 8 M
OXL OXL 'OXALATE ION ' non-polymer 6 6 M
OXP OXP '2-OXO-3-PENTENOIC ACID ' non-polymer 14 8 M
OXS OXS '2-OXALOSUCCINIC ACID ' non-polymer 19 13 M
P24 P24 '1-(AMINOETHYL)AMINO-4-AMINOBUTANE ' non-polymer 26 9 M
P28 P28 '3",5"-DINITRO-N-ACETYL-L-THYRONINE ' non-polymer 44 29 M
P3M P3M '1-3 SUGAR RING OF PENTAMANNOSYL 6-PH' non-polymer 71 38 M
P4C P4C 'O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL ' non-polymer 50 22 M
P4P P4P 'TETRAPHENYLPHOSPHONIUM ' non-polymer 45 25 M
P5P P5P 'RIBOSIDE-5"-MONOPHOSPHAT ' non-polymer 35 22 M
PA1 PA1 'PAROMOMYCIN (RING 1) ' non-polymer 25 12 M
PA2 PA2 'PAROMOMYCIN (RING 2) ' non-polymer 24 10 M
PA3 PA3 'PAROMOMYCIN (RING 3) ' non-polymer 18 8 M
PA4 PA4 'PAROMOMYCIN (RING 4) ' non-polymer 26 12 M
PAA PAA '(N-METHYLPYRIDYL)ACETIC ACID ' non-polymer 21 11 M
PAB PAB '4-AMINOBENZOIC ACID ' non-polymer 17 10 M
PAC PAC '2-PHENYLACETIC ACID ' non-polymer 18 10 M
PAD PAD '5-BETA-D-RIBOFURANOSYLPICOLINAMIDE A' non-polymer 71 44 M
PAG PAG '2-PHOSPHO-D-GLYCERIC ACID ' non-polymer 18 11 M
PAH PAH 'PHOSPHONOACETOHYDROXAMIC ACID ' non-polymer 15 9 M
PAL PAL 'N-(PHOSPHONACETYL)-L-ASPARTIC ACID ' non-polymer 26 16 M
PAO PAO 'N-(PHOSPHONOACETYL)-L-ORNITHINE ' non-polymer 31 16 M
PAP PAP '3"-PHOSPHATE-ADENOSINE-5"-DIPHOSPHAT' non-polymer 47 31 M
PAQ PAQ '2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDI' non-polymer 38 22 M
PBA PBA 'PHENYLETHANE BORONIC ACID ' non-polymer 22 11 M
PBB PBB 'S-(4-BROMOBENZYL)CYSTEINE ' non-polymer 27 15 M
PBM PBM 'TRIMETHYL LEAD ION ' non-polymer 13 4 M
PBN PBN '4-PHENYLBUTYLAMINE ' non-polymer 26 11 M
PBP PBP '1-(4-BROMO-PHENYL)-ETHANONE ' non-polymer 17 10 M
PBZ PBZ 'P-AMINO BENZAMIDINE ' non-polymer 20 10 M
PC PC 'PHOSPHOCHOLINE ' non-polymer 26 11 M
PC2 PC2 'DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE' non-polymer 143 54 M
PCB PCB '4,4"-BIS([H]METHYLSULFONYL)-2,2",5,5' non-polymer 34 24 M
PCD PCD 'MOLYBDOPTERIN CYTOSINE DINUCLEOTIDE ' non-polymer 76 48 M
PCG PCG 'CYCLIC GUANOSINE MONOPHOSPHATE ' non-polymer 35 23 M
PCL PCL 'PLATINUM(II) DI-CHLORIDE ' non-polymer 3 3 M
PCM PCM '1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUC' non-polymer 85 43 M
PCP PCP '1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALP' non-polymer 37 22 M
PCR PCR 'P-CRESOL ' non-polymer 16 8 M
PCU PCU 'CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PO' non-polymer 89 53 M
PD1 PD1 '1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHE' non-polymer 79 38 M
PDA PDA '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 38 21 M
PDC PDC 'PYRIDINE-2,6-DICARBOXYLIC ACID ' non-polymer 17 12 M
PDO PDO '1,3-PROPANDIOL ' non-polymer 13 5 M
PDP PDP 'PYRIDOXAL-5"-DIPHOSPHATE ' non-polymer 31 20 M
PDT PDT '1,3-PROPANEDITHIOL ' non-polymer 13 5 M
PDU PDU '5(1-PROPYNYL)-2"-DEOXYURIDINE-5-MONO' non-polymer 42 23 M
PE2 PE2 '9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-' non-polymer 33 18 M
PEA PEA '2-PHENYLETHYLAMINE ' non-polymer 21 9 M
PEB PEB 'PHYCOERYTHROBILIN ' non-polymer 83 43 M
PEC PEC 'S,S-PENTYLTHIOCYSTEINE ' non-polymer 30 13 M
PEE PEE '2-HEXADEC-11-ENYLO ' non-polymer 125 49 M
PEG PEG 'DI(HYDROXYETHYL)ETHER ' non-polymer 17 7 M
PEO PEO 'HYDROGEN PEROXIDE ' non-polymer 4 2 M
PEP PEP '2-PHOSPHOPYRUVIC ACID ' non-polymer 17 10 M
PET PET '1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTA' non-polymer 47 25 M
PFB PFB '2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL ' non-polymer 16 13 M
PFG PFG '10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLU' non-polymer 106 62 M
PFM PFM '1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOS' non-polymer 44 25 M
PFZ PFZ '1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DI' non-polymer 44 22 M
PG4 PG4 'TETRAETHYLENE GLYCOL ' non-polymer 31 13 M
PG5 PG5 '1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ET' non-polymer 30 12 M
PG6 PG6 '1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METH' non-polymer 44 18 M
PGC PGC 'O-PHOSPHOGLYCOLOHYDROXAMATE ' non-polymer 16 10 M
PGD PGD '2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,' non-polymer 71 47 M
PGE PGE 'TRIETHYLENE GLYCOL ' non-polymer 24 10 M
PGL PGL 'AMINOMETHYLENEPHOSPHINIC ACID ' non-polymer 11 5 M
PGO PGO '1,2-PROPANEDIOL ' non-polymer 13 5 M
PGP PGP 'GUANOSINE-3",5"-DIPHOSPHATE ' non-polymer 43 28 M
PGS PGS 'GUANOSINE-5"-MONOPHOSPHAT ' non-polymer 42 27 M
PGU PGU '4-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 44 25 M
PGY PGY 'PHENYLGLYCINE ' non-polymer 20 11 M
PH1 PH1 '1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADE' non-polymer 133 45 M
PH2 PH2 '2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-' non-polymer 23 14 M
PHA PHA 'PHENYLALANINAL ' non-polymer 22 11 M
PHC PHC 'N-METHYL-N-(METHYLBENZYL)FORMAMIDE ' non-polymer 25 12 M
PHD PHD 'ASPARTYL PHOSPHATE ' non-polymer 21 13 M
PHG PHG 'PHENYLMERCURY ' non-polymer 12 7 M
PHI PHI 'IODO-PHENYLALANINE ' non-polymer 23 13 M
PHL PHL 'L-PHENYLALANINOL ' non-polymer 24 11 M
PHM PHM 'PHENYLALANYLMETHANE ' non-polymer 25 12 M
PHN PHN '1,10-PHENANTHROLINE ' non-polymer 22 14 M
PHP PHP '(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMI' non-polymer 106 55 M
PHT PHT 'PHTHALIC ACID ' non-polymer 18 12 M
PHY PHY '1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHO' non-polymer 31 16 M
PI PI 'HYDROGENPHOSPHATE ION ' non-polymer 6 5 M
PI1 PI1 '1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-' non-polymer 102 49 M
PI2 PI2 '2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAM' non-polymer 68 32 M
PI3 PI3 '11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO' non-polymer 70 31 M
PI4 PI4 '1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-' non-polymer 82 39 M
PI5 PI5 'N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6' non-polymer 102 49 M
PI6 PI6 '[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-' non-polymer 91 43 M
PI7 PI7 'N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6' non-polymer 101 48 M
PID PID 'PERIDININ ' non-polymer 96 46 M
PIG PIG '2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHA' non-polymer 24 10 M
PIM PIM '4-PHENYL-1H-IMIDAZOLE ' non-polymer 19 11 M
PIN PIN 'PIPERAZINE-N,N"-BIS(2-ETHANESULFONIC' non-polymer 36 18 M
PIP PIP 'PIPERIDINE ' non-polymer 17 6 M
PIR PIR '2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-P' non-polymer 32 16 M
PIV PIV 'PIVALIC ACID ' non-polymer 17 7 M
PKF PKF 'CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-' non-polymer 104 52 M
PL1 PL1 'COBALT (III)-DEGLYCOPEPLEOMYCIN ' non-polymer 148 80 M
PLA PLA '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 44 25 M
PLC PLC 'DIUNDECYL PHOSPHATIDYL CHOLINE ' non-polymer 107 42 M
PLE PLE 'LEUCINE PHOSPHINIC ACID ' non-polymer 23 9 M
PLG PLG 'N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOS' non-polymer 35 20 M
PLH PLH 'METHYLAMINO-PHENYLALANYL-LEUCYL-HYDR' non-polymer 52 25 M
PLS PLS '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer 39 22 M
PLT PLT '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer 50 30 M
PLU PLU 'LEUCINE PHOSPHONIC ACID ' non-polymer 24 10 M
PLY PLY 'PALMITOYL ' non-polymer 48 17 M
PMA PMA 'PYROMELLITIC ACID ' non-polymer 24 18 M
PMB PMB 'PARA-MERCURY-BENZENESULFONIC ACID ' non-polymer 16 11 M
PME PME 'N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1' non-polymer 39 21 M
PMS PMS 'BENZYLSULFINIC ACID ' non-polymer 18 10 M
PMY PMY 'AGLYCON OF PEPLOMYCIN ' non-polymer 144 77 M
PNA PNA '4"-NITROPHENYL-ALPHA-D-MANNOPYRANOSI' non-polymer 36 21 M
PNB PNB '4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYC' non-polymer 41 24 M
PNC PNC 'PARA-NITROBENZYL GLUTARYL GLYCINIC A' non-polymer 40 23 M
PNG PNG '4"-NITROPHENYL-ALPHA-D-GLUCOPYRANOSI' non-polymer 36 21 M
PNL PNL 'PROPANAL ' non-polymer 10 4 M
PNO PNO 'P-METHYL AMINOPHOSPHINIC ACID ' non-polymer 11 5 M
PNP PNP 'METHYL-PHOSPHONIC ACID MONO-(4-NITRO' non-polymer 22 14 M
PNQ PNQ 'P-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer 36 25 M
PNT PNT '1,3-BIS(4-AMIDINOPHENOXY)PENTANE ' non-polymer 49 25 M
POB POB '2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHI' non-polymer 32 17 M
POC POC 'PHOSPHOCHOLINE ' non-polymer 26 11 M
POL POL 'N-PROPANOL ' non-polymer 12 4 M
POM POM 'CIS-5-METHYL-4-OXOPROLINE ' non-polymer 19 10 M
POR POR 'PORPHYRIN FE(III) ' non-polymer 37 25 M
POS POS '1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]' non-polymer 70 38 M
PP1 PP1 '1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,' non-polymer 40 21 M
PP4 PP4 '(2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-' non-polymer 70 38 M
PP5 PP5 '(2S)-[1-((N-(NAPHTHALENEACETYL))-L-V' non-polymer 70 38 M
PP6 PP6 'METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)' non-polymer 71 39 M
PP7 PP7 'CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-MET' non-polymer 91 44 M
PP8 PP8 '2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VA' non-polymer 90 43 M
PP9 PP9 'PROTOPORPHYRIN IX ' non-polymer 76 42 M
PPB PPB '1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-P' non-polymer 59 32 M
PPC PPC '5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) ' non-polymer 37 22 M
PPD PPD '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 41 24 M
PPE PPE '4-[(1,3-DICARBOXY-PROPYLAMINO)-METHY' non-polymer 45 25 M
PPG PPG '4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-M' non-polymer 48 26 M
PPH PPH 'PHENYLALANINE PHOSPHINIC ACID ' non-polymer 24 12 M
PPI PPI 'PROPANOIC ACID ' non-polymer 11 5 M
PPL PPL 'PIPERIDINE-2-CARBOXYLIC ACID TERT-BU' non-polymer 33 13 M
PPM PPM 'PHOSPHONOMETHYL GROUP ' non-polymer 9 5 M
PPN PPN 'PARA-NITROPHENYLALANINE ' non-polymer 25 15 M
PPO PPO '3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL ' non-polymer 14 10 M
PPP PPP '3-PHENYL-1,2-PROPANDIOL ' non-polymer 23 11 M
PPS PPS '3"-PHOSPHATE-ADENOSINE-5"-PHOSPHATE ' non-polymer 46 31 M
PPT PPT '3-(P-TOLYL)PROPIONIC ACID ' non-polymer 24 12 M
PPX PPX '[PHENYLALANINYL-PROLINYL]-[2-(PYRIDI' non-polymer 55 28 M
PPY PPY '3-PHENYLPYRUVIC ACID ' non-polymer 20 12 M
PQN PQN 'PHYLLOQUINONE ' non-polymer 79 33 M
PQQ PQQ 'PYRROLOQUINOLINE QUINONE ' non-polymer 30 24 M
PR3 PR3 'S,S-PROPYLTHIOCYSTEINE ' non-polymer 23 10 M
PRA PRA '3-PHENYLPROPYLAMINE ' non-polymer 24 10 M
PRB PRB '13-ACETYLPHORBOL ' non-polymer 59 29 M
PRE PRE 'PREPHENIC ACID ' non-polymer 26 16 M
PRH PRH '6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOS' non-polymer 34 19 M
PRL PRL 'PROFLAVIN ' non-polymer 27 16 M
PRP PRP 'ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC A' non-polymer 35 22 M
PRR PRR '3-(METHYL-PYRIDINIUM)ALANINE ' non-polymer 26 13 M
PRS PRS 'THIOPROLINE ' non-polymer 15 8 M
PSA PSA '3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ' non-polymer 30 15 M
PSE PSE 'O-PHOSPHOETHANOLAMINE ' non-polymer 20 10 M
PSF PSF '1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERI' non-polymer 64 30 M
PSI PSI '2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-' non-polymer 88 41 M
PSO PSO '4"-HYDROXYMETHYL-4,5",8-TRIMETHYLPSO' non-polymer 33 19 M
PSS PSS 'ETHYLAMINOBENZYLMETHYLCARBONYL GROUP' non-polymer 27 13 M
PST PST 'THYMIDINE-5"-THIOPHOSPHATE ' non-polymer 36 21 M
PT2 PT2 '1,10-PHENANTHROLINE-PLATINUM(II)ETHY' non-polymer 33 19 M
PTA PTA '[(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PH' non-polymer 29 13 M
PTE PTE 'TUNGSTOPTERIN COFACTOR ' non-polymer 81 52 M
PTH PTH 'CE1-METHYLENE-HYDROXY-PHOSPHOTYROSIN' non-polymer 33 19 M
PTN PTN 'PLATINUM TRIAMINE ION ' non-polymer 13 4 M
PTO PTO 'PSEUDOTROPINE ' non-polymer 25 10 M
PTP PTP 'THYMIDINE-3",5"-DIPHOSPHATE ' non-polymer 41 25 M
PTS PTS '(2,3-B)THIOPYRAN-2-SULFON ' non-polymer 29 17 M
PTT PTT 'TUNGSTOPTERIN ' non-polymer 75 52 M
PUA PUA 'ADENYLATE-3"-PHOSPHATE-[[2"-DEOXY-UR' non-polymer 77 50 M
PUB PUB 'PHYCOUROBILIN ' non-polymer 85 43 M
PUR PUR 'PURINE RIBOSIDE ' non-polymer 31 18 M
PUT PUT '1,4-DIAMINOBUTANE ' non-polymer 18 6 M
PVA PVA '1-AMINO-2-METHYL-PROPYLPHOSPHONIC AC' non-polymer 21 9 M
PVB PVB 'PURVALANOL ' non-polymer 55 30 M
PVL PVL 'PYRUVOYL GROUP ' non-polymer 8 5 M
PXA PXA '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer 33 22 M
PXF PXF '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer 34 23 M
PXG PXG '3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZ' non-polymer 42 25 M
PXY PXY 'PARA-XYLENE ' non-polymer 18 8 M
PY2 PY2 '3-(MERCAPTOMETHYLENE)PYRIDINE ' non-polymer 15 8 M
PYA PYA '3-(1,10-PHENANTHROL-2-YL)-L-ALANINE ' non-polymer 33 20 M
PYM PYM 'PYRUVAMIDE ' non-polymer 11 6 M
PYS PYS '2-PYRIDINETHIOL ' non-polymer 12 7 M
PYX PYX 'S-[S-THIOPYRIDOXAMINYL]CYSTEINE ' non-polymer 36 19 M
PYZ PYZ '4-IODOPYRAZOLE ' non-polymer 9 6 M
PZQ PZQ 'PRAZIQUANTEL ' non-polymer 47 23 M
Q82 Q82 '{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer 82 44 M
QNC QNC '2-CARBONYLQUINOLINE ' non-polymer 19 12 M
QND QND 'QUINALDIC ACID ' non-polymer 20 13 M
QSI QSI '5"-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADE' non-polymer 54 32 M
QUE QUE '3,5,7,3",4"-PENTAHYDROXYFLAVONE ' non-polymer 32 22 M
QUI QUI '2-CARBOXYQUINOXALINE ' non-polymer 19 13 M
QUO QUO '2-AMINO-7-DEAZA-(2",3"-DIHYDROXY-C ' non-polymer 59 33 M
R R '2"-DEOXY-N6-(R)STYRENE OXIDE ADENOSI' non-polymer 53 31 M
R12 R12 '9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,' non-polymer 46 22 M
R13 R13 '3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,' non-polymer 55 25 M
R1P R1P 'RIBOSE-1-PHOSPHATE ' non-polymer 25 14 M
R56 R56 '5-OXO-6-PHENYLMETHANESULFONYLAMINO-H' non-polymer 59 31 M
RA2 RA2 '1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL' non-polymer 51 25 M
RAD RAD 'C49-METHYL RAPAMYCIN ' non-polymer 147 66 M
RAI RAI '1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5"' non-polymer 41 23 M
RAL RAL 'RALOXIFENE ' non-polymer 61 34 M
RAP RAP 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG ' non-polymer 144 65 M
RBF RBF 'RIBOFLAVINE ' non-polymer 47 27 M
RBU RBU 'BIS(2,2"-BIPYRIDINE)-2-IMIDAZOL ' non-polymer 50 30 M
RCO RCO 'RESORCINOL ' non-polymer 14 8 M
RDC RDC 'RADICICOL ' non-polymer 42 25 M
RE9 RE9 '6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIME' non-polymer 50 22 M
RFL RFL '8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-AD' non-polymer 91 55 M
RG1 RG1 'RHODOPIN GLUCOSIDE ' non-polymer 118 52 M
RGS RGS '4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTY' non-polymer 72 40 M
RHA RHA '6-DEOXY-MANNOSE-1'-PHOSPHATE ' non-polymer 28 15 M
RHD RHD 'RHODIUM HEXAMINE ION ' non-polymer 25 7 M
RHS RHS '3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TER' non-polymer 43 17 M
RIA RIA '2"-O-[(5"-PHOSPHO)RIBOSYL]ADENOSINE-' non-polymer 59 36 M
RIC RIC 'MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-' non-polymer 43 24 M
RIN RIN '3-AMINO-AZACYCLOTRIDECAN-2-ONE ' non-polymer 39 15 M
RIT RIT 'RITONAVIR ' non-polymer 98 50 M
RMN RMN '(R)-MANDELIC ACID ' non-polymer 19 11 M
RNG RNG '(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2' non-polymer 31 16 M
RO2 RO2 '3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H' non-polymer 55 32 M
RO4 RO4 '[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-' non-polymer 63 28 M
RON RON 'NORVALINE ' non-polymer 19 8 M
RPD RPD '5"-PHOSPHAT ' non-polymer 52 30 M
RPH RPH '6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALD' non-polymer 27 12 M
RPL RPL '5"-PHOSPHAT ' non-polymer 52 30 M
RPX RPX 'C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSA' non-polymer 143 66 M
RRS RRS 'N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-' non-polymer 69 33 M
RS1 RS1 '4-[4-(4-CHLORO-PHENOXY)-BENZENESULFO' non-polymer 48 28 M
RS2 RS2 'N-HYDROXY-2-[4-(4-PHENOXY-BENZENESUL' non-polymer 48 27 M
RS7 RS7 '3-(2-OCTYLPHENYL)PROPANOIC ACID ' non-polymer 45 19 M
RSS RSS '5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO' non-polymer 67 32 M
RUB RUB 'RIBULOSE-1,5-DIPHOSPHATE ' non-polymer 30 18 M
RUN RUN '2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLO' non-polymer 93 47 M
RWJ RWJ '[1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUAN' non-polymer 52 27 M
S27 S27 'N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-' non-polymer 53 26 M
S4U S4U '4-THIOURIDINE-5"-PHOSPHATE ' non-polymer 34 21 M
S57 S57 '1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEX' non-polymer 42 21 M
S58 S58 '1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHY' non-polymer 37 26 M
S5H S5H '5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCI' non-polymer 68 30 M
S80 S80 'N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-IS' non-polymer 66 29 M
SAA SAA '(S)-ATROLACTIC ACID ' non-polymer 22 12 M
SAB SAB '4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BEN' non-polymer 35 18 M
SAD SAD 'BETA-METHYLENE-SELENAZOLE-4-CARBOXYA' non-polymer 70 43 M
SAE SAE 'SELENAZOLE-4-CARBOXYAMIDE-ADENINE DI' non-polymer 68 43 M
SAL SAL '2-HYDROXYBENZOIC ACID ' non-polymer 16 10 M
SAN SAN 'SULFANILAMIDE ' non-polymer 19 11 M
SAP SAP 'MONOTHIOPHOSPHAT ' non-polymer 47 31 M
SAS SAS '2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)S' non-polymer 42 28 M
SB1 SB1 '(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2' non-polymer 70 31 M
SB2 SB2 '4-[5-(4-FLUORO-PHENYL)-2-(4-METHANES' non-polymer 43 27 M
SB3 SB3 '1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHY' non-polymer 68 33 M
SB4 SB4 '4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)' non-polymer 44 25 M
SB5 SB5 '4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL' non-polymer 39 23 M
SB6 SB6 '4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLME' non-polymer 38 22 M
SBA SBA 'CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCI' non-polymer 65 29 M
SBD SBD 'D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ' non-polymer 48 26 M
SBI SBI 'SORBINIL ' non-polymer 26 17 M
SBL SBL 'L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ' non-polymer 48 26 M
SBT SBT '2-BUTANOL ' non-polymer 15 5 M
SBU SBU 'SEC-BUTYL GROUP ' non-polymer 13 4 M
SBX SBX '1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,' non-polymer 74 33 M
SC4 SC4 '1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHY' non-polymer 44 27 M
SCA SCA 'SUCCINYL-COENZYME A ' non-polymer 95 55 M
SCC SCC 'THIOETHYL GROUP ' non-polymer 8 3 M
SCD SCD 'SUCCINYL(CARBADETHIA)-COENZYME A ' non-polymer 97 55 M
SCH SCH 'S-METHYL THIOCYSTEINE GROUP ' non-polymer 18 9 M
SCI SCI 'L-THIOCITRULLINE ' non-polymer 25 12 M
SCP SCP '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer 38 22 M
SCR SCR 'SUCROSE OCTASULFATE ' non-polymer 77 55 M
SCS SCS 'S,S-ETHYLTHIOCYSTEINE ' non-polymer 20 9 M
SD8 SD8 '2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIP' non-polymer 46 26 M
SDK SDK '1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]' non-polymer 84 42 M
SDZ SDZ '1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY' non-polymer 62 29 M
SE4 SE4 'SELENATE ION ' non-polymer 5 5 M
SEA SEA 'THIOETHYLAMINE ' non-polymer 11 4 M
SEB SEB 'O-BENZYLSULFONYL-SERINE ' non-polymer 30 17 M
SEC SEC '2-AMINO-3-SELENINO-PROPIONIC ACID ' non-polymer 16 9 M
SEG SEG 'HYDROXYALANINE ' non-polymer 14 7 M
SEM SEM '3-AMINO-4-OXYBENZYL-2-BUTANONE ' non-polymer 29 14 M
SEO SEO '2-MERCAPTOETHANOL ' non-polymer 10 4 M
SES SES '2-AMINO-4-BUTYL-5-PROPYLSELENAZOLE ' non-polymer 31 13 M
SET SET 'AMINOSERINE ' non-polymer 15 7 M
SEU SEU 'S-ETHYLISOTHIOUREA ' non-polymer 14 6 M
SFG SFG 'ADENOSYL-ORNITHINE ' non-polymer 50 27 M
SFN SFN 'SULFONATE GROUP ' non-polymer 4 4 M
SFO SFO 'SULFO GROUP ' non-polymer 5 4 M
SGA SGA 'O3-SULFONYLGALACTOSE ' non-polymer 28 16 M
SGC SGC '4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE ' non-polymer 24 12 M
SGL SGL '1-HYDROXY-1-THIO-GLYCEROL ' non-polymer 15 7 M
SGM SGM 'MONOTHIOGLYCEROL ' non-polymer 14 6 M
SGP SGP 'GUANOSINE-2",3"-CYCLOPHOSPHOROTHIOAT' non-polymer 35 23 M
SHA SHA 'SALICYLHYDROXAMIC ACID ' non-polymer 18 11 M
SHC SHC 'S-HEXYLCYSTEINE ' non-polymer 32 13 M
SHH SHH 'OCTANEDIOIC ACID HYDROXYAMIDE PHENYL' non-polymer 39 19 M
SHP SHP '(4-HYDROXYMALTOSEPHENYL)GLYCINE ' non-polymer 63 34 M
SIF SIF '3-TRIMETHYLSILYLSUCCINIC ACID ' non-polymer 26 12 M
SIG SIG 'STIGMATELLIN ' non-polymer 77 35 M
SIH SIH 'PROGESTERONE-11-ALPHA-OL-HEMISUCCINA' non-polymer 65 31 M
SKD SKD '2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL' non-polymer 37 20 M
SLE SLE '2-(THIOMETHYLENE)-4-METHYLPENTANOIC ' non-polymer 24 10 M
SLZ SLZ 'L-THIALYSINE ' non-polymer 22 10 M
SMA SMA 'STIGMATELLIN A ' non-polymer 79 37 M
SMC SMC 'S-METHYLCYSTEINE ' non-polymer 17 8 M
SME SME 'METHIONINE SULFOXIDE ' non-polymer 21 10 M
SMN SMN '(S)-MANDELIC ACID ' non-polymer 19 11 M
SN6 SN6 '1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLI' non-polymer 62 35 M
SN7 SN7 '4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOL' non-polymer 66 37 M
SNC SNC 'S-NITROSO-CYSTEINE ' non-polymer 15 9 M
SNN SNN '3-AMINOSUCCINIMIDE ' non-polymer 14 8 M
SOA SOA 'ISATOIC ANHYDRIDE ' non-polymer 18 9 M
SOC SOC 'DIOXYSELENOCYSTEINE ' non-polymer 15 9 M
SOM SOM 'METHYL PHOSPHINIC ACID ' non-polymer 9 4 M
SOT SOT 'N-SULFONYLMORPHOLINE ' non-polymer 17 9 M
SPA SPA 'THIOPHENEACETIC ACID ' non-polymer 15 9 M
SPD SPD 'SPERMIDINE ' non-polymer 29 10 M
SPE SPE 'THERMINE ' non-polymer 37 13 M
SPG SPG 'GUANOSIN ' non-polymer 42 27 M
SPN SPN 'SPEROIDENONE ' non-polymer 113 43 M
SPO SPO 'SPHEROIDENE ' non-polymer 102 42 M
SPP SPP '(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-' non-polymer 60 32 M
SPY SPY 'PYRIDINYLSULFONYL ' non-polymer 13 9 M
SQU SQU '2,10,23-TRIMETHYL-TETRACOSANE ' non-polymer 83 27 M
SRB SRB 'L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORO' non-polymer 37 20 M
SRD SRD 'D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORO' non-polymer 37 20 M
SRS SRS '4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO' non-polymer 72 33 M
SSA SSA '5"-O-(N-(L-SERYL)-SULFAMOYL)ADENOSIN' non-polymer 48 29 M
SSB SSB '3-BUTYLTHIOLANE 1-OXIDE ' non-polymer 26 10 M
SSP SSP 'DITHIOBIS-(PROPANE) ' non-polymer 22 8 M
ST1 ST1 '4-(ACETYLAMINO)-3-HYDROXY-5-NITROBEN' non-polymer 25 17 M
ST2 ST2 '4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBEN' non-polymer 25 15 M
ST3 ST3 '4-(ACETYLAMINO)-3-AMINO BENZOIC ACID' non-polymer 24 14 M
ST4 ST4 '4-(ACETYLAMINO)-3-GUANIDINOBENZOIC A' non-polymer 31 17 M
ST5 ST5 '4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AM' non-polymer 30 18 M
ST6 ST6 '4-(ACETYLAMINO)-3-[(AMINOACETYL)AMIN' non-polymer 32 18 M
STB STB '4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUT' non-polymer 39 20 M
STE STE 'STEARIC ACID ' non-polymer 56 20 M
STG STG 'ESTRIOL 3-(B-D-GLUCURONIDE) ' non-polymer 65 33 M
STL STL 'RESVERATROL ' non-polymer 29 17 M
STO STO 'STAUROSPORINE ' non-polymer 61 35 M
STP STP '5"-O-(1-THIOTRIPHOSPHATE ' non-polymer 46 30 M
STR STR 'PROGESTERONE ' non-polymer 53 23 M
STU STU 'STAUROSPORINE ' non-polymer 61 35 M
STY STY 'TYROSINE-O-SULPHONIC ACID ' non-polymer 28 17 M
SU1 SU1 '3-[(3-(2-CARBOXETHYL)-4-METHYLPYRROL' non-polymer 44 22 M
SU2 SU2 '3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYL' non-polymer 46 25 M
SVA SVA 'SERINE VANADATE ' non-polymer 19 12 M
SX SX 'SULFUR OXIDE ' non-polymer 2 2 M
T16 T16 'BOROLOG2 ' non-polymer 67 35 M
T19 T19 'PHENYLMETHYLENECARBOXY-(METHYLENEAMI' non-polymer 76 42 M
T29 T29 'TRI166 (BIFUNCTIONAL BORONATE INHIBI' non-polymer 68 34 M
T3 T3 '3,5,3"TRIIODOTHYRONINE ' non-polymer 35 23 M
T33 T33 '3,3"-DEIODO-THYROXINE ' non-polymer 35 22 M
T3P T3P 'THYMIDINE-3"-PHOSPHAT ' non-polymer 36 21 M
T42 T42 'MORPHOLINO-DIPHENYLALANINE-METHOXYPR' non-polymer 81 42 M
T44 T44 '3,5,3",5"-TETRAIODO-L-THYRONINE ' non-polymer 35 24 M
T5A T5A 'P1-(5"-ADENOSYL)P5-(5"-THYMIDYL)PENT' non-polymer 85 55 M
T6A T6A 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' non-polymer 54 33 M
T6P T6P 'TREHALOSE-6-PHOSPHATE ' non-polymer 50 27 M
T80 T80 'METHYLPENTA(OXYETHYL) HEPTADECANOATE' non-polymer 94 36 M
TAA TAA 'MONO-[2-(2,2-DICHLOR ' non-polymer 58 37 M
TAC TAC 'TETRACYCLINE ' non-polymer 56 32 M
TAD TAD 'BETA-METHYLENE-THIAZOLE-4-CARBOXYAMI' non-polymer 70 43 M
TAF TAF 'THYMINE-5"-PHOSPHAT ' non-polymer 36 22 M
TAM TAM 'TRIS(HYDROXYETHYL)AMINOMETHANE ' non-polymer 28 11 M
TAP TAP '7-THIONICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer 76 48 M
TAR TAR 'TARTARIC ACID ' non-polymer 16 10 M
TB9 TB9 '4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer 41 21 M
TBG TBG 'T-BUTYL GLYCINE ' non-polymer 22 9 M
TBM TBM '4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMET' non-polymer 36 15 M
TBO TBO '5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer 41 21 M
TBT TBT '8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRAC' non-polymer 37 21 M
TBU TBU 'TERTIARY-BUTYL ALCOHOL ' non-polymer 15 5 M
TBZ TBZ '2"-(4-METHOXYPHENYL)-5-(3-AMINO-1-P ' non-polymer 70 41 M
TC4 TC4 'BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLC' non-polymer 60 26 M
TCA TCA 'PHENYLETHYLENECARBOXYLIC ACID ' non-polymer 19 11 M
TCH TCH 'TAUROCHOLIC ACID ' non-polymer 80 35 M
TCK TCK 'N-TOSYL-L-LYSINYL METHYL KETONE ' non-polymer 42 20 M
TCL TCL 'TRICLOSAN ' non-polymer 24 17 M
TCM TCM 'THIOCAMPHOR ' non-polymer 27 11 M
TCN TCN 'TETRACYANONICKELATE ION ' non-polymer 9 9 M
TCP TCP '5"-METHYLTHYMIDINE ' non-polymer 34 18 M
TCR TCR 'CYCLOMETHYLTRYPTOPHAN ' non-polymer 28 16 M
TCS TCS '4-CHLORO-2-HYDROXYPHENYL 2,4-DICHLOR' non-polymer 24 17 M
TDB TDB '6-METHYL-2(PROPANE-1-SULFONYL)-2H-TH' non-polymer 30 17 M
TDG TDG 'THIODIGALACTOSIDE ' non-polymer 45 23 M
TDP TDP 'THIAMIN DIPHOSPHATE ' non-polymer 44 26 M
TDR TDR 'THYMINE ' non-polymer 15 9 M
TEA TEA 'TRIETHYLAMMONIUM ION ' non-polymer 23 7 M
TEM TEM 'N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-T' non-polymer 22 11 M
TEP TEP 'THEOPHYLLINE ' non-polymer 21 13 M
TER TER 'N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)' non-polymer 40 14 M
TES TES 'TESTOSTERONE ' non-polymer 49 21 M
TET TET 'URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOS' non-polymer 81 50 M
TFH TFH 'NITROGEN OF TRIFLUORO-ETHYLHYDRAZINE' non-polymer 2 2 M
TFI TFI '2-[5-METHANESULFONYLAMINO-2-(4-AMINO' non-polymer 55 33 M
TFK TFK '3-[[(METHYLAMINO)SULFONYL]AMINO]-2-O' non-polymer 56 33 M
TFP TFP '10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROP' non-polymer 52 28 M
THA THA 'TACRINE ' non-polymer 29 15 M
THB THB 'TETRAHYDROBIOPTERIN ' non-polymer 32 17 M
THC THC 'N-METHYLCARBONYLTHREONINE ' non-polymer 22 11 M
THE THE 'THREONATE ION ' non-polymer 16 9 M
THF THF '5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID' non-polymer 57 34 M
THI THI 'THIAZOLO-3-PHENYLISOINDOL-1-ONE ' non-polymer 32 19 M
THJ THJ 'TETRATHIONATE ' non-polymer 5 5 M
THK THK '4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUOR' non-polymer 56 29 M
THM THM 'THYMIDINE ' non-polymer 31 17 M
THO THO 'REDUCED THREONINE ' non-polymer 18 7 M
THS THS 'THYMIDINE-5"-(DITHIO)PHOSPHATE ' non-polymer 36 21 M
THT THT 'TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTE' non-polymer 63 24 M
THX THX '6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAH' non-polymer 126 73 M
THZ THZ 'BENZOTHIAZOLE ' non-polymer 14 9 M
TI1 TI1 '[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA' non-polymer 54 26 M
TI2 TI2 '(2-SULFANYL-3-PHENYLPROPANOYL)-PHE-T' non-polymer 63 35 M
TI3 TI3 '[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-' non-polymer 53 29 M
TIA TIA '2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZO' non-polymer 28 16 M
TIB TIB '4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer 41 21 M
TIH TIH 'BETA(2-THIENYL)ALANINE ' non-polymer 20 11 M
TLX TLX 'N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO' non-polymer 43 16 M
TM5 TM5 'THIO-MALTOPENTAOSE ' non-polymer 108 56 M
TM6 TM6 'THIO-MALTOHEXAOSE ' non-polymer 129 67 M
TMB TMB 'N-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMET' non-polymer 36 15 M
TMD TMD '(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIM' non-polymer 35 14 M
TMF TMF '5,10-METHYLENE-6-HYDROFOLIC ACID ' non-polymer 54 33 M
TMM TMM '1,3,5-BENZENETRICARBOXYLIC ACID ' non-polymer 21 15 M
TMP TMP 'THYMIDINE-5"-PHOSPHATE ' non-polymer 36 21 M
TMQ TMQ 'TRIMETREXATE ' non-polymer 51 27 M
TMR TMR '2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBO' non-polymer 25 11 M
TMT TMT '2,3,4-TRIMETHYL-1,3-THIAZOLE ' non-polymer 18 8 M
TMZ TMZ '3,4,5-TRIMETHYL-1,3-THIAZOLE ' non-polymer 18 8 M
TNB TNB 'S-(2,3,6-TRINITROPHENYL)CYSTEINE ' non-polymer 30 22 M
TNK TNK '6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROP' non-polymer 51 27 M
TNP TNP '3,5,6,8-TETRAMETHYL-N-METHYL PHENANT' non-polymer 38 19 M
TNT TNT '1,3-BIS(AMIDINOPHENOXY)PROPANE ' non-polymer 43 23 M
TOA TOA '3-DEOXY-3-AMINO GLUCOSE ' non-polymer 26 12 M
TOB TOB '1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE' non-polymer 26 10 M
TOC TOC '2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE ' non-polymer 27 11 M
TOL TOL 'TOLRESTAT ' non-polymer 38 24 M
TOP TOP 'TRIMETHOPRIM ' non-polymer 39 21 M
TOT TOT '1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUN' non-polymer 115 57 M
TP7 TP7 'PHOSPHORIC ACID N-(1-HYDROXY-7-MERCA' non-polymer 45 21 M
TPA TPA 'TRANS-2-PHENYLCYCLOPROPYLAMINE ' non-polymer 22 10 M
TPH TPH '2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GR' non-polymer 24 12 M
TPI TPI '4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHON' non-polymer 46 29 M
TPN TPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer 37 20 M
TPO TPO 'PHOSPHOTHREONINE ' non-polymer 22 12 M
TPQ TPQ '2,4,5-TRIHYDROXYPHENYLALANINE ' non-polymer 26 15 M
TPS TPS 'THIAMIN PHOSPHATE ' non-polymer 39 22 M
TPT TPT '2,2":6",2""-TERPYRIDINE PLATINUM(II)' non-polymer 30 19 M
TPV TPV 'N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6' non-polymer 75 42 M
TPX TPX '(3R,4S)N-PARA-TOLUENESULPHONYL-3-ETH' non-polymer 38 21 M
TRA TRA 'ACONITATE ION ' non-polymer 15 12 M
TRB TRB '4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer 41 21 M
TRC TRC 'TRICARBALLYLIC ACID ' non-polymer 20 12 M
TRD TRD 'TRIDECANE ' non-polymer 41 13 M
TRF TRF 'N1-FORMYL-TRYPTOPHAN ' non-polymer 29 17 M
TRG TRG 'L-(N,N DIMETHYL)LYSINE ' non-polymer 30 12 M
TRI TRI '1,2,4-TRIAZOLE ' non-polymer 8 5 M
TRN TRN 'NZ2-TRYPTOPHAN ' non-polymer 26 15 M
TRO TRO '2-HYDROXY-TRYPTOPHAN ' non-polymer 28 16 M
TRZ TRZ 'TRAZEOLIDE ' non-polymer 51 23 M
TS TS 'THYMIDINE-5"-THIOPHOSPHATE ' non-polymer 36 21 M
TS2 TS2 '2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTY' non-polymer 95 48 M
TS3 TS3 'BIS[[5-GLUTAMYL-CYSTEINYL-GLYCYL]-AM' non-polymer 97 48 M
TS4 TS4 'GLUTATHIONYLSPERMIDINE ' non-polymer 124 58 M
TSA TSA '8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-' non-polymer 28 16 M
TSM TSM 'TERT-BUTYLSULFONYL GROUP ' non-polymer 16 7 M
TSN TSN 'TRICHOSTATIN A ' non-polymer 44 22 M
TSP TSP '3"-THIO-THYMIDINE-5"-PHOSPHATE ' non-polymer 36 21 M
TXL TXL 'TAXOTERE ' non-polymer 111 58 M
TYA TYA 'PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY' non-polymer 58 34 M
TYD TYD 'DIPHOSPHAT ' non-polymer 41 25 M
TYI TYI '3,5-DIIODOTRYROSINE ' non-polymer 24 15 M
TYL TYL 'N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENO' non-polymer 20 11 M
TYN TYN 'AMINOBENZOFURAZAN-O-TYROSINE ' non-polymer 39 23 M
TYQ TYQ '3-AMINO-6-HYDROXY-TYROSINE ' non-polymer 27 15 M
TYV TYV 'TYVELOSE ' non-polymer 22 10 M
TYY TYY '3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA' non-polymer 25 15 M
TZE TZE '2-(4-METHYL-THIAZOL-5-YL)-ETHANOL ' non-polymer 18 9 M
TZL TZL '2-(SEC-BUTYL)THIAZOLE ' non-polymer 20 9 M
U01 U01 '3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPY' non-polymer 40 23 M
U02 U02 '[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROX' non-polymer 79 41 M
U03 U03 '4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROP' non-polymer 41 23 M
U04 U04 '({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3' non-polymer 61 33 M
U05 U05 '6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NIT' non-polymer 36 22 M
U18 U18 '(S)-2-(5-(((1,2-DIHYDRO-3-METHYL-1-O' non-polymer 61 37 M
U2G U2G 'URIDYLYL-2"-5"-PHOSPHO-GUANOSINE ' non-polymer 64 40 M
U3P U3P '3"-URIDINEMONOPHOSPHATE ' non-polymer 34 21 M
U5P U5P 'URIDINE-5"-MONOPHOSPHATE ' non-polymer 34 21 M
U89 U89 'N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-' non-polymer 86 48 M
UAP UAP '1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCU' non-polymer 23 15 M
UC1 UC1 '[4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)' non-polymer 40 22 M
UC2 UC2 'N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-' non-polymer 42 23 M
UC3 UC3 '1-METHYL ETHYL 2-CHLORO-5-[[[(1-METH' non-polymer 38 20 M
UC4 UC4 '1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,' non-polymer 41 23 M
UD1 UD1 'URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAM' non-polymer 66 39 M
UFG UFG 'URIDINE-5"-DIPHOSPHATE-4-DEOXY-4-FLU' non-polymer 59 36 M
UFM UFM 'URIDINE-5"-DIPHOSPHATE-MANNOSE ' non-polymer 60 36 M
UIN UIN '5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(' non-polymer 47 23 M
UKC UKC '8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7' non-polymer 40 23 M
UM3 UM3 '2"-DEOXYURIDINE 3"-MONOPHOSPHAT ' non-polymer 33 20 M
UMA UMA 'URIDINE-5"-DIPHOSPHATE-N-ACETYLMURAM' non-polymer 85 49 M
UMG UMG 'METHYL-UMBELLIFERTL-N-ACETYL-CHITOTR' non-polymer 102 55 M
UND UND 'UNDECANE ' non-polymer 35 11 M
UNI UNI '4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,1' non-polymer 64 36 M
UNN UNN '(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-ME' non-polymer 47 28 M
UP5 UP5 'P1-(ADENOSINE-5"-P5-(URIDINE-5')PENT' non-polymer 83 55 M
UPA UPA 'URIDYLYL-2"-5"-PHOSPHO-ADENOSINE ' non-polymer 63 39 M
UPP UPP 'PHENYL-URIDINE-5"-DIPHOSPHATE ' non-polymer 49 31 M
UQ UQ 'UBIQUINONE-10 ' non-polymer 153 63 M
UQ1 UQ1 'UBIQUINONE-1 ' non-polymer 36 18 M
UQ2 UQ2 'UBIQUINONE-2 ' non-polymer 49 23 M
UR2 UR2 '4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY' non-polymer 77 39 M
URA URA 'URACIL ' non-polymer 12 8 M
URE URE 'UREA ' non-polymer 8 4 M
URF URF '5-FLUOROURACIL ' non-polymer 12 9 M
URS URS 'N-PHENYLTHIOUREA ' non-polymer 18 10 M
UVC UVC 'URIDINE-2",3"-VANADATE ' non-polymer 33 21 M
V35 V35 'D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ET' non-polymer 31 17 M
V36 V36 'L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ET' non-polymer 31 17 M
V7O V7O 'META VANADATE ' non-polymer 26 26 M
VAC VAC 'N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DI' non-polymer 88 46 M
VAD VAD 'DEAMINOHYDROXYVALINE ' non-polymer 18 8 M
VAF VAF 'METHYLVALINE ' non-polymer 21 8 M
VAN VAN 'VANCOMYCIN ' non-polymer 178 101 M
VAS VAS '2,3-DIMETHYL-BUTYRALDEHYDE ' non-polymer 18 7 M
VAX VAX '4-EPI-VANCOSAMINYL DERIVATIVE OF VAN' non-polymer 202 111 M
VDX VDX '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer 74 30 M
VG1 VG1 'ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADA' non-polymer 33 20 M
VK3 VK3 'MENADIONE ' non-polymer 21 13 M
VX VX 'O-ETHYLMETHYLPHOSPHONIC ACID ESTER G' non-polymer 14 6 M
VXA VXA 'METHYLPHOSPHONIC ACID ESTER GROUP ' non-polymer 7 4 M
W01 W01 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer 45 24 M
W02 W02 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer 45 24 M
W03 W03 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer 46 24 M
W33 W33 '5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZ' non-polymer 45 24 M
W35 W35 '5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENO' non-polymer 45 23 M
W42 W42 '5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-' non-polymer 57 31 M
W43 W43 'ISOXAZ ' non-polymer 54 27 M
W54 W54 '5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-' non-polymer 45 25 M
W56 W56 '5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL' non-polymer 48 24 M
W59 W59 '5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHE' non-polymer 57 27 M
W71 W71 '5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHEN' non-polymer 51 25 M
W84 W84 '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer 54 26 M
W8R W8R '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer 54 26 M
W91 W91 '5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-' non-polymer 39 23 M
WO2 WO2 'OCTADECATUNGSTENYL DIPHOSPHATE ' non-polymer 82 82 M
WW7 WW7 'N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHAL' non-polymer 43 22 M
X X '2"-DEOXY-N7-(8,9-DIHYDRO-9-HYDROXY-1' non-polymer 74 47 M
X2F X2F '2-DEOXY-2-FLUORO XYLOPYRANOSE ' non-polymer 19 10 M
XAN XAN 'XANTHINE ' non-polymer 15 11 M
XAO XAO 'CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-MET' non-polymer 46 17 M
XBP XBP 'XYLULOSE-1,5-BISPHOSPHATE ' non-polymer 30 18 M
XDP XDP 'D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE' non-polymer 33 19 M
XK2 XK2 '[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEX' non-polymer 84 46 M
XL1 XL1 'ETHANETHIOL ' non-polymer 9 3 M
XMP XMP 'XANTHOSINE-5"-MONOPHOSPHATE ' non-polymer 38 24 M
XV6 XV6 '[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3' non-polymer 92 54 M
Y3 Y3 '4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2' non-polymer 34 23 M
YOF YOF '3-FLUOROTYROSINE ' non-polymer 24 14 M
YYG YYG '4-(3-[5-O-PHOSPHONORIBOFURANOSYL]-4,' non-polymer 69 40 M
Z23 Z23 'DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-' non-polymer 48 29 M
Z5A Z5A 'P1-(5"-ADENOSYL)P5-(5"-(3"AZIDO-3"-D' non-polymer 81 57 M
ZAF ZAF 'O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L' non-polymer 60 33 M
ZAP ZAP '[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDI' non-polymer 43 25 M
ZEB ZEB '4-HYDROXY-3,4-DIHYDRO-ZEBULARINE ' non-polymer 31 17 M
ZID ZID 'ISONICOTINIC-ACETYL-NICOTINAMIDE-ADE' non-polymer 82 52 M
ZK9 ZK9 '[3-AMINOMETHYLPHENYL-OXY-]-[BENZAMID' non-polymer 48 28 M
ZMR ZMR 'ZANAMIVIR ' non-polymer 43 23 M
ZN3 ZN3 'ZINC ION, 1 WATER COORDINATED ' non-polymer 4 2 M
ZNO ZNO 'ZINC ION, 2 WATERS COORDINATED ' non-polymer 7 3 M
ZPR ZPR 'N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLI' non-polymer 46 24 M
ZRA ZRA 'BENZOYL-ARGININE-ALANINE-METHYL KETO' non-polymer 56 27 M
ZST ZST '3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMET' non-polymer 41 29 M
ZYA ZYA 'BENZOYL-TYROSINE-ALANINE-METHYL KETO' non-polymer 52 28 M
#
# --- LIST OF RECOGNIZED MODIFIED MONOMERS ---
#
data_deriv_list
loop_
_chem_comp_deriv.comp_id
_chem_comp_deriv.source_comp_id
_chem_comp_deriv.mod_id
_chem_comp_deriv.name
_chem_comp_deriv.group
ALA-D ALA PEPT-D D-ALANINE D-peptide
ARG-D ARG PEPT-D D-ARGININE D-peptide
ASN-D ASN PEPT-D D-ASPARAGINE D-peptide
ASP-D ASP PEPT-D D-ASPARTIC-ACID D-peptide
CSH-D CSH PEPT-D D-CYSTEINE D-peptide
CYS-D CYS PEPT-D D-CYSTINE D-peptide
GLN-D GLN PEPT-D D-GLUTAMINE D-peptide
GLU-D GLU PEPT-D D-GLUTAMIC-ACID D-peptide
HIS-D HIS PEPT-D D-HISTIDINE D-peptide
ILE-D ILE PEPT-D D-ISOLEUCINE D-peptide
LEU-D LEU PEPT-D D-LEUCINE D-peptide
LYS-D LYS PEPT-D D-LYSINE D-peptide
MET-D MET PEPT-D D-METHIONINE D-peptide
MSE-D MSE PEPT-D D-SELENOMETHIONINE D-peptide
ORN-D ORN PEPT-D D-ORNITHINE D-peptide
PHE-D PHE PEPT-D D-PHENYLALANINE D-peptide
PRO-D PRO PEPT-D D-PROLINE D-peptide
PTR-D PTR PEPT-D D-PHOSPHOTYROSINE D-peptide
SER-D SER PEPT-D D-SERINE D-peptide
THR-D THR PEPT-D D-THREONINE D-peptide
TRP-D TRP PEPT-D D-TRYPTOPHAN D-peptide
TYR-D TYR PEPT-D D-TYROSINE D-peptide
VAL-D VAL PEPT-D D-VALINE D-peptide
NLE-D NLE PEPT-D D-NORLEUCINE D-peptide
ILG-D ILG PEPT-D D-GLUTAMYL_GROUP D-peptide
OCS-D OCS PEPT-D D-CYSTEINESULFONIC_ACID D-peptide
KCX-D KCX PEPT-D D-LYSINE_NZ-CARBOXYLIC_ACID D-peptide
SAH-D SAH PEPT-D S-ADENOSYL-D-HOMOCYSTEINE D-peptide
SAM-D SAM PEPT-D S-ADENOSYLMETHIONINE D-peptide
SEP-D SEP PEPT-D D-PHOSPHOSERINE D-peptide
LLP-D LLP PEPT-D D-LYSINE-PYRIDOXAL-5*-PHOSPHATE D-peptide
HYP-D HYP PEPT-D 4-D-Hydroxyproline D-peptide
5HP-D 5HP PEPT-D 5-D-Hydroxyproline D-peptide
CSO-D CSO PEPT-D S-D-HYDROXYCYSTINE D-peptide
BLE LEU B2C LEUCINE_BORONIC_ACID L-peptide
BLY LYS B2C LYSINE_BORONIC_ACID L-peptide
B1F PHE B2C PHENYLALANINE_BORONIC_ACID L-peptide
B2F PHE B2C PHENYLALANINE_BORONIC_ACID L-peptide
B2A ALA B2C ALANINE_BORONIC_ACID L-peptide
B2I ILE B2C ISOLEUCINE_BORONIC_ACID L-peptide
B2V VAL B2C VALINE_BORONIC_ACID L-peptide
BLE-D LEU B2C_D D-LEUCINE_BORONIC_ACID D-peptide
BLY-D LYS B2C_D D-LYSINE_BORONIC_ACID D-peptide
B1F-D PHE B2C_D D-PHENYLALANINE_BORONIC_ACID D-peptide
B2F-D PHE B2C_D D-PHENYLALANINE_BORONIC_ACID D-peptide
B2A-D ALA B2C_D DLALANINE_BORONIC_ACID D-peptide
B2I-D ILE B2C_D D-ISOLEUCINE_BORONIC_ACID D-peptide
B2V-D VAL B2C_D D-VALINE_BORONIC_ACID D-peptide
1MA Ar 1MA 6-HYDRO-1-METHYLADENOSINE-5*-MON RNA
2MG Gr 2MG 2N-METHYLGUANOSINE-5*-MONOPHOSPH RNA
M2G Gr M2G 2N-DIMETHYLGUANOSINE-5*-MONOPHOS RNA
OMC Cr O2*MET O2*-METHYLCYTIDINE-5*-MONOPHOSPH RNA
OMG Gr O2*MET O2*-METHYLGUANOSINE-5*-MONOPHOSP RNA
OMU Ur O2*MET O2*-METHYLURIDINE-5*-MONOPHOSPHA RNA
5MU Ur C5MET 5-METHYLURIDINE-5*-MONOPHOSPHATE RNA
5MC Cr C5MET 5-METHYLCYTIDINE-5*-MONOPHOSPHAT RNA
7MG Gr N7MET 7N-METHYL-8-HYDROGUANOSINE-5*-MO RNA
H2U Ur . 5,6-DIHYDROURIDINE RNA
MAN-b-L MAN-b-D SUG-b-L beta_L_mannose L-pyranose
NAG-b-L NAG-b-D SUG-b-L beta_L_N-acetyl-Glucose L-pyranose
GAL-b-L GAL-b-D SUG-b-L beta_L_galactose L-pyranose
GLC-b-L GLC-b-D SUG-b-L beta_L_glucose L-pyranose
MAN-a-D MAN-b-D SUG-a-D alpha_D_mannose D-pyranose
NAG-a-D NAG-b-D SUG-a-D alpha_D_N-acetyl-Glucose D-pyranose
GAL-a-D GAL-b-D SUG-a-D alpha_D_galactose D-pyranose
GLC-a-D GLC-b-D SUG-a-D alpha_D_glucose D-pyranose
MAN-a-L MAN-b-D SUG-a-L alpha_L_mannose L-pyranose
NAG-a-L NAG-b-D SUG-a-L alpha_L_N-acetyl-Glucose L-pyranose
GAL-a-L GAL-b-D SUG-a-L alpha_L_galactose L-pyranose
GLC-a-L GLC-b-D SUG-a-L alpha_L_glucose L-pyranose
FUC-a-D FUC-a-L SUG-a-D alpha_D_fucose D-pyranose
FUC-b-L FUC-a-L SUG-b-L beta_L_fucose L-pyranose
FUC-b-D FUC-a-L SUG-b-D beta_D_fucose D-pyranose
MAG NAG-b-D O1MET metil_NAG D-pyranose
MMA MAN-b-D O1MET metil_MAN D-pyranose
GSA GAL-b-D S2O4 O4-sulfonylgalactose D-pyranose
GCU-a-D GCU-b-D SUG-a-D alpha_D_GLUCURONIC_ACID D-pyranose
CEG-a-D CEG-b-D SUG-a-D alpha-D-CEG D-pyranose
GCU-a-L GCU-b-D SUG-a-L alpha_L_GLUCURONIC_ACID L-pyranose
CEG-a-L CEG-b-D SUG-a-L alpha-L-CEG L-pyranose
GCU-b-L GCU-b-D SUG-b-L beta_L_GLUCURONIC_ACID L-pyranose
CEG-b-L CEG-b-D SUG-b-L beta-L-CEG L-pyranose
# --- LIST OF SYNONYMS ---
#
data_comp_synonym_list
loop_
_chem_comp_synonym.comp_id
_chem_comp_synonym.comp_alternative_id
_chem_comp_synonym.mod_id
TRP TRY .
ALA-D DAL .
VAL-D DVA .
PHE-D DPN .
PRO DPR .
TRP-D DTR .
THR DTH .
LEU-D DLE .
Ad A .
Cd C .
Gd G .
Td T .
Ur U .
Ad +A .
Cd +C .
Gd +G .
Td +T .
Ur +U .
XYL XLS .
SO4 SUL .
SO4 SO1 .
SO4 SO2 .
PO4 PHO .
P SPS .
P IPS .
ZN ZN1 .
ZN ZN2 .
3GP GMP .
HOH WAT .
HOH H2O .
HOH OH2 .
HOH DOD .
HOH TIP .
BEZ BOX .
ATA AMT .
GTT GSH .
PLM PAM .
NAG-b-D NGA .
NAG-b-D NAG .
MAN-b-D MAN .
GAL-b-D GAL .
GLC-b-D GLC .
FUC-a-L FUC .
FUC-a-D FCA .
FUC-b-D FCB .
GCU-b-D GCU .
CEG-b-D CEG .
#
data_comp_synonym_atom_list
loop_
_chem_comp_synonym_atom.comp_id
_chem_comp_synonym_atom.comp_alternative_id
_chem_comp_synonym_atom.atom_id
_chem_comp_synonym_atom.atom_alternative_id
5GP . P PA
5GP . O1P O1A
5GP . O2P O2A
5GP . O3P O3A
2AM . P PA
2AM . O1P O1A
2AM . O2P O2A
2AM . O3P O3A
3GP . P PA
3GP . O1P O1A
3GP . O2P O2A
3GP . O3P O3A
HOH . O OW
HOH TIP O OH2
HYP . CD CD2
HYP . OD OD1
CH3 . C C1
CH3 . C C1A
CH3 . H1 H11
CH3 . H2 H12
CH3 . H3 H13
CH3 . H1 HC1
CH3 . H2 HC2
CH3 . H3 HC3
CH3 . H1 H1A1
CH3 . H2 H1A2
CH3 . H3 H1A3
NCO . N1 NH1
NCO . N2 NH2
NCO . N3 NH3
NCO . N4 NH4
NCO . N5 NH5
NCO . N6 NH6
2GP . O2P O4P
2GP . C5* C5R
2GP . O5* O5R
2GP . C4* C4R
2GP . O4* O4R
2GP . C1* C1R
2GP . C2* C2R
2GP . O2* O2R
2GP . C3* C3R
2GP . O3* O3R
AMP . P PA
AMP . O1P O1A
AMP . O2P O2A
AMP . O3P O3A
MO5 . O1 OA
MO5 . O2 OB
MO5 . O3 OC
MO5 . O4 OD
MO5 . O5 OE
MO4 . O1 OB
MO4 . O2 OC
MO4 . O3 OD
MO4 . O4 OF
MO6 . O1 OA
MO6 . O2 OB
MO6 . O3 OC
MO6 . O4 OD
MO6 . O5 OE
MO6 . O6 OF
FOL . O4 OH4
TML . CM1 CH1
TML . CM2 CH2
TML . CM3 CH3
BEN . C C7
BOC . O1 OT1
BOC . C CT1
BOC . O2 OT2
BOC . CT CT2
BOC . C1 CT3
BOC . C2 CT4
BOC . C3 CT5
M2G . C2A CM2
M2G . C2B CM1
2MG . C2A CM2
OMC . C2A CM2
OMG . C2A CM2
OMU . C2A CM2
5MC . C5A CM5
5MU . C5A CM5
1MA . C1 CM1
7MG . C7 CM7
OME . C1 CM
OME . O1 O
FBP . O1P O11
FBP . O2P O12
FBP . O3P O13
FBP . P2 P6
FBP . O4P O61
FBP . O5P O62
FBP . O6P O63
CB3 . O4 OA4
MAE . O1 O1A
MAE . O2 O1B
MAE . O3 O4A
MAE . O4 O4B
MPD . CM C6
MPD . O2 O7
MPD . O4 O8
NBN . C C1
NBN . C1 C3
NBN . C2 C4
NBN . N N2
NBN . C3 C5
NBN . C4 C6
PMP . N4A N4
PMP . O4P OP4
PMP . O1P OP1
PMP . O2P OP2
PMP . O3P OP3
BEZ BOX C C1,
BEZ BOX O1 O1,
BEZ BOX O2 O2,
CBZ . O1 O
CBZ . O2 OA
CBZ . C1, CB
CBZ . C1 CG
CBZ . C2 CD1
CBZ . C6 CD2
CBZ . C5 CE1
CBZ . C3 CE2
CBZ . C4 CZ
OAA . O4 O6
OAA . O3 O7
OAA . C4 C6
PLM . C10 CA
PLM . C11 CB
PLM . C12 CC
PLM . C13 CD
PLM . C14 CE
PLM . C15 CF
PLM . C16 CG
SPH . N2 N
SPH . C2 CA
SPH . C1 C
SPH . O1 O
TFA . C C1
TFA . CT C2
TOS . O1S O1
TOS . O2S O2
MPR . C C1
MPR . CA C2
MPR . HA1 H21
MPR . HA2 H22
MPR . CB C3
MPR . HB1 H31
MPR . HB2 H32
MPR . SG S3
ADD . N N3
ADD . C C1
ACB . N N2
ILG . H HN1
ILG-D . H HN1
ALA . H HN1
HEM . NA N_A
HEM . NB N_B
HEM . NC N_C
HEM . ND N_D
HEC . NA N_A
HEC . NB N_B
HEC . NC N_C
HEC . ND N_D
HMD . NA N_A
HMD . NB N_B
HMD . NC N_C
HMD . ND N_D
MMA . CM C7
MMA . HM1 H71
MMA . HM2 H72
MMA . HM3 H73
RIB . C1 C1*
RIB . C2 C2*
RIB . C3 C3*
RIB . C5 C5*
RIB . C4 C5*
RIB . O1 O1*
RIB . O2 O2*
RIB . O3 O3*
RIB . O4 O4*
RIB . O5 O5*
# --- LIST OF LINKS ---
#
data_link_list
loop_
_chem_link.id
_chem_link.comp_id_1
_chem_link.mod_id_1
_chem_link.group_comp_1
_chem_link.comp_id_2
_chem_link.mod_id_2
_chem_link.group_comp_2
_chem_link.name
SS CYS . . CYS . . SS-bridge
MPR-CYS MPR . . CYS . . SS-bridge
CYS-MPR CYS . . MPR . . SS-bridge
TRANS . . peptide . . peptide default-peptide-link
PTRANS . . peptide PRO . . default-peptide-link_pro
CIS . . peptide . . peptide cis-peptide-link
PCIS . . peptide PRO . . cis-peptide-link_pro
gap . . . . . . gap-link
p . . DNA/RNA . . DNA/RNA default-DNA/RNA-link
FOR_C-N FOR . . . . peptide bond_FOR-C_=_N-peptide
FOR_C-C . . peptide FOR . . bond_FOR-C_=_C-peptide
FOR-LYZ LYZ . . FOR . . bond_FOR-C_=_NZ-LYZ
ACE_C-N ACE . . . . peptide bond_ACE-C_=_N_peptide
AHT-ALA AHT . . ALA . . bond_AHT-N2_=_CB-ALA
DFO-NME DFO . . NME . . bond_DFO-C_=_N-NME
DFO_C-N DFO . . . . peptide bond_DFO-C_=_N-peptide
DFO_N-C . . peptide DFO . . bond_DFO-N_=_C-peptide
STA-NME DFO . . NME . . bond_DFO-C_=_N-NME
STA_C-N DFO . . . . peptide bond_DFO-C_=_N-peptide
STA_N-C . . peptide DFO . . bond_DFO-N_=_C-peptide
STA_DFO STA . . DFO . . bond_STA-C_=_N-DFO
DFO_STA DFO . . STA . . bond_DFO-C_=_N-STA
STA_STA STA . . STA . . bond_STA-C_=_N-STA
DFO_DFO DFO . . DFO . . bond_DFO-C_=_N-DFO
IVA_C-N IVA . . . . peptide bond_IVA-C_=_N-peptide
BOC_C-N BOC . . . . peptide bond_BOC-C_=_N-peptide
NME_N-C . . peptide NME . . bond_NME-N_=_C-peptide
LINK_C-N . . polymer . . polymer bond_C_=_N
LINK_CNp . . polymer . . peptide bond_C_=_N-peptide
LINK_CpN . . peptide . . polymer bond_C-peptide_=_N
BETA1-2 . DEL-HO2 pyranose . DEL-O1 pyranose glycosidic_bond_beta1-2
BETA1-3 . DEL-HO3 pyranose . DEL-O1 pyranose glycosidic_bond_beta1-3
BETA2-3 . DEL-O2 pyranose . . . glycosidic_bond_beta2-3
BETA1-4 . DEL-HO4 pyranose . DEL-O1 pyranose glycosidic_bond_beta1-4
BETA1-6 . DEL-HO6 pyranose . DEL-O1 pyranose glycosidic_bond_beta1-6
ALPHA1-2 . DEL-HO2 pyranose . DEL-O1 pyranose glycosidic_bond_alpha1-2
ALPHA1-3 . DEL-HO3 pyranose . DEL-O1 pyranose glycosidic_bond_alpha1-3
ALPHA2-3 . DEL-O2 pyranose . . . glycosidic_bond_alpha2-3
ALPHA1-4 . DEL-HO4 pyranose . DEL-O1 pyranose glycosidic_bond_alpha1-4
ALPHA1-6 . DEL-HO6 pyranose . DEL-O1 pyranose glycosidic_bond_alpha1-6
MAN-SER MAN DEL-O1 . SER . . bond_MAN-C1_=_SER-OG
NAG-SER NAG DEL-O1 . SER . . bond_NAG-C1_=_SER-OG
NAG-THR NAG DEL-O1 . THR . . bond_NAG-C1_=_THR-OG1
MAN-THR MAN DEL-O1 . THR . . bond_MAN-C1_=_THR-OG1
NAG-ASN NAG DEL-O1 . ASN . . bond_NAG-C1_=_ASN-ND2
MAN-ASN MAN DEL-O1 . ASN . . bond_MAN-C1_=_ASN-ND2
XYS-THR XYS XYS-O1 . THR . . bond_XYS-C1_=_THR-OG1
XYS-SER XYS XYS-O1 . SER . . bond_XYS-C1_=_SER-OG
XYS-ASN XYS XYS-O1 . ASN . . bond_XYS-C1_=_ASN-ND2
ZN-CYS ZN . . CYS . . bond_ZN_=_CYS-SG
FE-CYS FE . . CYS . . bond_FE_=_CYS-SG
SFN-TYR SFN . . TYR . . bond_SFN-S_=_TYR-OH
CH2-N2 CH2 . . . . DNA/RNA bond_CH2-CH2_=_Ar-N2
DM1-CH2 DM1 . . CH2 . . bond_DM1-N3*_=_CH2-CH2
CH3-N1 CH3 . . . . DNA/RNA bond_CH3-C_=_Ar-N1
CH3-O2* CH3 . . . . DNA/RNA bond_CH3-C_=-O2*
MG-O1P MG . . . . DNA/RNA bond_MG_=-O1P
MG-O2P MG . . . . DNA/RNA bond_MG_=-O2P
BR-C5 BR . . . . DNA/RNA bond_BR_=-C5
ILG_CD-N ILG . . . . polymer bond_ILG-CD_=N-polymer
ILG_CD-p ILG . . . . peptide bond_ILG-CD_=N-peptide
symmetry . . . . . . dummy_link
# --- LIST OF MODIFICATIONS ---
#
data_mod_list
loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
NH3 NH3-terminus . peptide
COO COO-terminus . peptide
CM-COO CM-COO-terminus . polymer
5*END DNA/RNA-5*-terminus . DNA/RNA
3*END DNA/RNA-3*-terminus . DNA/RNA
p5*END DNA/RNA-p5*-terminus . DNA/RNA
p3*END DNA/RNA-p3*-terminus . DNA/RNA
FOR-N N-terminus_of_formyl . .
FOR-C C-terminus_of_formyl . .
G-N2 delete_N2_from_guanosine . DNA/RNA
DEL-O1 delete_O1_from_saccharide . pyranose
DEL-O2 delete_O2_from_saccharide . .
DEL-HO2 delete_HO2_from_saccharide . pyranose
DEL-HO3 delete_HO3_from_saccharide . pyranose
DEL-HO4 delete_HO4_from_saccharide . pyranose
DEL-HO6 delete_HO6_from_saccharide . pyranose
DEL-OXT delete_OXT_from_peptide . .
SUG-b-L change_sugar_to_beta_L . pyranose
SUG-a-D change_sugar_to_alpha_D . pyranose
SUG-b-D change_sugar_to_beta_D . pyranose
SUG-a-L change_sugar_to_alpha_L . pyranose
O1MET O1_metyl_of_sugar . pyranose
S2O4 O4_sulfonyl_of_GAL GAL-b-D .
PEPT-D change_peptide_to_D . peptide
1MA N1-metyl_of_adenosine . DNA/RNA
1MG N1-metyl_of_guanosine . DNA/RNA
2MG N2-metyl_of_guanosine . DNA/RNA
M2G N2-dimetyl_of_guanosine . DNA/RNA
O2*MET O2*_metyl . DNA/RNA
C5MET C5_metyl . DNA/RNA
N7MET N7_metyl . DNA/RNA
RNA-O2* delete_O2*_from_RNA . DNA/RNA
XYS-O1 delete_O1_from_XYS . .
B2C replace_B_to_C . peptide
B2C_D replace_B_to_C_for_D-peptide . peptide
RENAME change_monomer"s_name . .
TERMINUS chain_terminus_without_modification . .
--- SS ---
#
data_link_SS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
SS 1 SG 2 SG disulf 2.031 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
SS 1 CB 1 SG 2 SG 110.000 3.000
SS 1 SG 2 SG 2 CB 110.000 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
SS ss 1 CB 1 SG 2 SG 2 CB 90.00 10.0 2
--- MPR-CYS ---
#
data_link_MPR-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
MPR-CYS 1 SG 2 SG disulf 2.031 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
MPR-CYS 1 CB 1 SG 2 SG 110.000 3.000
MPR-CYS 1 SG 2 SG 2 CB 110.000 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
MPR-CYS ss 1 CB 1 SG 2 SG 2 CB 90.00 10.0 2
--- CYS-MPR ---
#
data_link_CYS-MPR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
CYS-MPR 1 SG 2 SG disulf 2.031 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
CYS-MPR 1 CB 1 SG 2 SG 110.000 3.000
CYS-MPR 1 SG 2 SG 2 CB 110.000 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
CYS-MPR ss 1 CB 1 SG 2 SG 2 CB 90.00 10.0 2
--- TRANS ---
#
data_link_TRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
TRANS 1 C 2 N coval 1.329 0.014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
TRANS 1 O 1 C 2 N 123.000 1.600
TRANS 1 CA 1 C 2 N 116.200 2.000
TRANS 1 C 2 N 2 H 124.300 3.000
TRANS 1 C 2 N 2 CA 121.700 1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
TRANS psi 1 N 1 CA 1 C 2 N 160.00 30.0 2
TRANS omega 1 CA 1 C 2 N 2 CA 180.00 10.0 1
TRANS phi 1 C 2 N 2 CA 2 C 60.00 20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
TRANS plane1 1 CA 0.020
TRANS plane1 1 C 0.020
TRANS plane1 1 O 0.020
TRANS plane1 2 N 0.020
TRANS plane2 1 C 0.020
TRANS plane2 2 N 0.020
TRANS plane2 2 CA 0.020
TRANS plane2 2 H 0.020
--- PTRANS ---
#
data_link_PTRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
PTRANS 1 C 2 N coval 1.329 0.014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
PTRANS 1 O 1 C 2 N 123.000 1.600
PTRANS 1 CA 1 C 2 N 116.200 2.000
PTRANS 1 C 2 N 2 CD 124.300 3.000
PTRANS 1 C 2 N 2 CA 121.700 1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
PTRANS psi 1 N 1 CA 1 C 2 N 160.00 30.0 2
PTRANS omega 1 CA 1 C 2 N 2 CA 180.00 10.0 1
PTRANS phi 1 C 2 N 2 CA 2 C 60.00 20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
PTRANS plane1 1 CA 0.020
PTRANS plane1 1 C 0.020
PTRANS plane1 1 O 0.020
PTRANS plane1 2 N 0.020
PTRANS plane2 1 C 0.050
PTRANS plane2 2 N 0.050
PTRANS plane2 2 CA 0.050
PTRANS plane2 2 CD 0.050
--- CIS ---
#
data_link_CIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
CIS 1 C 2 N coval 1.329 0.014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
CIS 1 O 1 C 2 N 123.000 1.600
CIS 1 CA 1 C 2 N 116.200 2.000
CIS 1 C 2 N 2 H 124.300 3.000
CIS 1 C 2 N 2 CA 121.700 1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
CIS psi 1 N 1 CA 1 C 2 N 160.00 30.0 2
CIS omega 1 CA 1 C 2 N 2 CA 0.00 10.0 0
CIS phi 1 C 2 N 2 CA 2 C 60.00 20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
CIS plane1 1 CA 0.020
CIS plane1 1 C 0.020
CIS plane1 1 O 0.020
CIS plane1 2 N 0.020
CIS plane2 1 C 0.020
CIS plane2 2 N 0.020
CIS plane2 2 CA 0.020
CIS plane2 2 H 0.020
--- PCIS ---
#
data_link_PCIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
PCIS 1 C 2 N coval 1.329 0.014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
PCIS 1 O 1 C 2 N 123.000 1.600
PCIS 1 CA 1 C 2 N 116.200 2.000
PCIS 1 C 2 N 2 CD 124.300 3.000
PCIS 1 C 2 N 2 CA 121.700 1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
PCIS psi 1 N 1 CA 1 C 2 N 160.00 30.0 2
PCIS omega 1 CA 1 C 2 N 2 CA 0.00 10.0 0
PCIS phi 1 C 2 N 2 CA 2 C 60.00 20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
PCIS plane1 1 CA 0.020
PCIS plane1 1 C 0.020
PCIS plane1 1 O 0.020
PCIS plane1 2 N 0.020
PCIS plane2 1 C 0.050
PCIS plane2 2 N 0.050
PCIS plane2 2 CA 0.050
PCIS plane2 2 CD 0.050
--- gap ---
#
data_link_gap
#
--- p ---
#
data_link_p
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
p 1 O3* 2 P coval 1.600 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
p 1 O3* 2 P 2 O5* 103.000 3.000
p 1 O3* 2 P 2 O1P 108.000 3.000
p 1 O3* 2 P 2 O2P 108.000 3.000
p 1 C3* 1 O3* 2 P 120.000 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
p epsil 1 C4* 1 C3* 1 O3* 2 P 190.00 30.0 3
p zeta 1 C3* 1 O3* 2 P 2 O5* 260.00 30.0 3
p alpha 1 O3* 2 P 2 O5* 2 C5* 300.00 20.0 3
--- FOR_C-N ---
#
data_link_FOR_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
FOR_C-N 1 C 2 N coval 1.329 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
FOR_C-N 1 C 2 N 2 CA 121.700 3.000
FOR_C-N 1 O 1 C 2 N 123.000 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
FOR_C-N var1 1 O 1 C 2 N 2 CA 0.00 30.0 2
--- FOR_C-C ---
#
data_link_FOR_C-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
FOR_C-C 1 C 2 C coval 1.521 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
FOR_C-C 1 C 2 C 2 O 124.100 3.000
FOR_C-C 1 O 1 C 2 C 129.100 3.000
--- FOR-LYZ ---
#
data_link_FOR-LYZ
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
FOR-LYZ 1 NZ 2 C coval 1.329 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
FOR-LYZ 2 C 1 NE 1 CE 111.000 3.000
FOR-LYZ 2 O 2 C 1 NZ 120.000 3.000
FOR-LYZ 2 OXT 2 C 1 NZ 120.000 3.000
FOR-LYZ 2 O 2 C 2 OXT 120.000 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
FOR-LYZ var1 1 CD 1 CE 1 NZ 2 C 180.00 30.0 2
FOR-LYZ var2 1 CE 1 NZ 2 C 2 OXT 180.00 30.0 2
--- ACE_C-N ---
#
data_link_ACE_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ACE_C-N 1 C 2 N coval 1.329 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ACE_C-N 1 C 2 N 2 CA 121.700 3.000
ACE_C-N 1 O 1 C 2 N 123.000 3.000
ACE_C-N 1 CH3 1 C 2 N 116.200 3.000
ACE_C-N 1 C 2 N 2 H 124.300 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
ACE_C-N omega 1 CH3 1 C 2 N 2 CA 180.00 10.0 2
ACE_C-N phi 1 C 2 N 2 CA 2 C 60.00 20.0 3
--- AHT-ALA ---
#
data_link_AHT-ALA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
AHT-ALA 1 N2 2 CB coval 1.521 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
AHT-ALA 1 N2 2 CB 2 CA 109.900 3.000
AHT-ALA 1 C2 1 N2 2 CB 119.300 3.000
--- DFO-NME ---
#
data_link_DFO-NME
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
DFO-NME 1 C 2 N coval 1.308 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
DFO-NME 1 C 2 N 2 CH3 123.400 3.000
DFO-NME 1 O 1 C 2 N 126.200 3.000
--- DFO_C-N ---
#
data_link_DFO_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
DFO_C-N 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
DFO_C-N 1 O 1 C 2 N 129.100 3.000
DFO_C-N 1 C 2 N 2 CA 119.300 3.000
--- DFO_N-C ---
#
data_link_DFO_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
DFO_N-C 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
DFO_N-C 1 O 1 C 2 N 129.100 3.000
DFO_N-C 1 C 2 N 2 CA 119.300 3.000
--- STA-NME ---
#
data_link_STA-NME
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
STA-NME 1 C 2 N coval 1.308 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
STA-NME 1 C 2 N 2 CH3 123.400 3.000
STA-NME 1 O 1 C 2 N 126.200 3.000
--- STA_C-N ---
#
data_link_STA_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
STA_C-N 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
STA_C-N 1 O 1 C 2 N 129.100 3.000
STA_C-N 1 C 2 N 2 CA 119.300 3.000
--- STA_N-C ---
#
data_link_STA_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
STA_N-C 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
STA_N-C 1 O 1 C 2 N 129.100 3.000
STA_N-C 1 C 2 N 2 CA 119.300 3.000
--- STA_DFO ---
#
data_link_STA_DFO
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
STA_DFO 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
STA_DFO 1 O 1 C 2 N 129.100 3.000
STA_DFO 1 C 2 N 2 CA 119.300 3.000
--- DFO_STA ---
#
data_link_DFO_STA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
DFO_STA 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
DFO_STA 1 O 1 C 2 N 129.100 3.000
DFO_STA 1 C 2 N 2 CA 119.300 3.000
--- STA_STA ---
#
data_link_STA_STA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
STA_STA 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
STA_STA 1 O 1 C 2 N 129.100 3.000
STA_STA 1 C 2 N 2 CA 119.300 3.000
--- DFO_DFO ---
#
data_link_DFO_DFO
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
DFO_DFO 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
DFO_DFO 1 O 1 C 2 N 129.100 3.000
DFO_DFO 1 C 2 N 2 CA 119.300 3.000
--- IVA_C-N ---
#
data_link_IVA_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
IVA_C-N 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
IVA_C-N 1 O 1 C 2 N 129.100 3.000
IVA_C-N 1 C 2 N 2 CA 119.300 3.000
--- BOC_C-N ---
#
data_link_BOC_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BOC_C-N 1 C 2 N coval 1.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
BOC_C-N 1 O1 1 C 2 N 129.100 3.000
BOC_C-N 1 C 2 N 2 CA 119.300 3.000
--- NME_N-C ---
#
data_link_NME_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
NME_N-C 1 C 2 N coval 1.308 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
NME_N-C 1 O 1 C 2 N 126.200 3.000
NME_N-C 1 C 2 N 2 CH3 123.400 3.000
--- LINK_C-N ---
#
data_link_LINK_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
LINK_C-N 1 C 2 N coval 1.329 0.020
--- LINK_CNp ---
#
data_link_LINK_CNp
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
LINK_CNp 1 C 2 N coval 1.329 0.020
--- LINK_CpN ---
#
data_link_LINK_CpN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
LINK_CpN 1 C 2 N coval 1.329 0.020
--- BETA1-2 ---
#
data_link_BETA1-2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BETA1-2 1 O2 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
BETA1-2 1 C2 1 O2 2 C1 108.700 3.000
BETA1-2 1 O2 2 C1 2 O5 112.300 3.000
BETA1-2 1 O2 2 C1 2 C2 109.470 3.000
BETA1-2 1 O2 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
BETA1-2 BETA_1 1 O2 2 C1 2 C2 2 C3 0.00 20.0 1
BETA1-2 BETA_2 1 C2 1 O2 2 C1 2 C2 0.00 20.0 1
BETA1-2 BETA_3 1 C1 1 C2 1 O2 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
BETA1-2 2 C1 1 O2 2 O5 2 C2 positiv
--- BETA1-3 ---
#
data_link_BETA1-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BETA1-3 1 O3 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
BETA1-3 1 C3 1 O3 2 C1 108.700 3.000
BETA1-3 1 O3 2 C1 2 O5 112.300 3.000
BETA1-3 1 O3 2 C1 2 C2 109.470 3.000
BETA1-3 1 O3 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
BETA1-3 BETA_1 1 O3 2 C1 2 C2 2 C3 0.00 20.0 1
BETA1-3 BETA_2 1 C3 1 O3 2 C1 2 C2 0.00 20.0 1
BETA1-3 BETA_3 1 C2 1 C3 1 O3 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
BETA1-3 2 C1 1 O3 2 O5 2 C2 positiv
--- BETA2-3 ---
#
data_link_BETA2-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BETA2-3 1 C2 2 O3 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
BETA2-3 1 C2 2 O3 2 C1 108.700 3.000
BETA2-3 1 C1 1 C2 2 O3 112.300 3.000
--- BETA1-4 ---
#
data_link_BETA1-4
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BETA1-4 1 O4 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
BETA1-4 1 C4 1 O4 2 C1 108.700 3.000
BETA1-4 1 O4 2 C1 2 O5 112.300 3.000
BETA1-4 1 O4 2 C1 2 C2 109.470 3.000
BETA1-4 1 O4 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
BETA1-4 BETA_1 1 O4 2 C1 2 C2 2 C3 0.00 20.0 1
BETA1-4 BETA_2 1 C4 1 O4 2 C1 2 C2 0.00 20.0 1
BETA1-4 BETA_3 1 C3 1 C4 1 O4 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
BETA1-4 2 C1 1 O4 2 O5 2 C2 positiv
--- BETA1-6 ---
#
data_link_BETA1-6
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BETA1-6 1 O6 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
BETA1-6 1 C6 1 O6 2 C1 108.700 3.000
BETA1-6 1 O6 2 C1 2 O5 112.300 3.000
BETA1-6 1 O6 2 C1 2 C2 109.470 3.000
BETA1-6 1 O6 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
BETA1-6 BETA_1 1 O6 2 C1 2 C2 2 C3 0.00 20.0 1
BETA1-6 BETA_2 1 C6 1 O6 2 C1 2 C2 0.00 20.0 1
BETA1-6 BETA_3 1 C5 1 C6 1 O6 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
BETA1-6 2 C1 1 O6 2 O5 2 C2 positiv
--- ALPHA1-2 ---
#
data_link_ALPHA1-2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALPHA1-2 1 O2 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALPHA1-2 1 C2 1 O2 2 C1 108.700 3.000
ALPHA1-2 1 O2 2 C1 2 O5 112.300 3.000
ALPHA1-2 1 O2 2 C1 2 C2 109.470 3.000
ALPHA1-2 1 O2 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
ALPHA1-2 ALPHA_1 1 O2 2 C1 2 C2 2 C3 0.00 20.0 1
ALPHA1-2 ALPHA_2 1 C2 1 O2 2 C1 2 C2 0.00 20.0 1
ALPHA1-2 ALPHA_3 1 C1 1 C2 1 O2 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
ALPHA1-2 2 C1 1 O2 2 O5 2 C2 negativ
--- ALPHA1-3 ---
#
data_link_ALPHA1-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALPHA1-3 1 O3 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALPHA1-3 1 C3 1 O3 2 C1 108.700 3.000
ALPHA1-3 1 O3 2 C1 2 O5 112.300 3.000
ALPHA1-3 1 O3 2 C1 2 C2 109.470 3.000
ALPHA1-3 1 O3 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
ALPHA1-3 ALPHA_1 1 O3 2 C1 2 C2 2 C3 0.00 20.0 1
ALPHA1-3 ALPHA_2 1 C3 1 O3 2 C1 2 C2 0.00 20.0 1
ALPHA1-3 ALPHA_3 1 C2 1 C3 1 O3 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
ALPHA1-3 2 C1 1 O3 2 O5 2 C2 negativ
--- ALPHA2-3 ---
#
data_link_ALPHA2-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALPHA2-3 1 C2 2 O3 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALPHA2-3 1 C2 2 O3 2 C1 108.700 3.000
ALPHA2-3 1 C1 1 C2 2 O3 112.300 3.000
--- ALPHA1-4 ---
#
data_link_ALPHA1-4
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALPHA1-4 1 O4 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALPHA1-4 1 C4 1 O4 2 C1 108.700 3.000
ALPHA1-4 1 O4 2 C1 2 O5 112.300 3.000
ALPHA1-4 1 O4 2 C1 2 C2 109.470 3.000
ALPHA1-4 1 O4 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
ALPHA1-4 ALPHA_1 1 O4 2 C1 2 C2 2 C3 0.00 20.0 1
ALPHA1-4 ALPHA_2 1 C4 1 O4 2 C1 2 C2 0.00 20.0 1
ALPHA1-4 ALPHA_3 1 C3 1 C4 1 O4 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
ALPHA1-4 2 C1 1 O4 2 O5 2 C2 negativ
--- ALPHA1-6 ---
#
data_link_ALPHA1-6
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALPHA1-6 1 O6 2 C1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALPHA1-6 1 C6 1 O6 2 C1 108.700 3.000
ALPHA1-6 1 O6 2 C1 2 O5 112.300 3.000
ALPHA1-6 1 O6 2 C1 2 C2 109.470 3.000
ALPHA1-6 1 O6 2 C1 2 H1 109.470 3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
ALPHA1-6 ALPHA_1 1 O6 2 C1 2 C2 2 C3 0.00 20.0 1
ALPHA1-6 ALPHA_2 1 C6 1 O6 2 C1 2 C2 0.00 20.0 1
ALPHA1-6 ALPHA_3 1 C5 1 C6 1 O6 2 C1 0.00 20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
ALPHA1-6 2 C1 1 O6 2 O5 2 C2 negativ
--- MAN-SER ---
#
data_link_MAN-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
MAN-SER 1 C1 2 OG coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
MAN-SER 1 C1 2 OG 2 CB 108.700 3.000
MAN-SER 1 O5 1 C1 2 OG 112.300 3.000
--- NAG-SER ---
#
data_link_NAG-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
NAG-SER 1 C1 2 OG coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
NAG-SER 1 C1 2 OG 2 CB 108.700 3.000
NAG-SER 1 O5 1 C1 2 OG 112.300 3.000
--- NAG-THR ---
#
data_link_NAG-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
NAG-THR 1 C1 2 OG1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
NAG-THR 1 C1 2 OG1 2 CB 108.700 3.000
NAG-THR 1 O5 1 C1 2 OG1 112.300 3.000
--- MAN-THR ---
#
data_link_MAN-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
MAN-THR 1 C1 2 OG1 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
MAN-THR 1 C1 2 OG1 2 CB 108.700 3.000
MAN-THR 1 O5 1 C1 2 OG1 112.300 3.000
--- NAG-ASN ---
#
data_link_NAG-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
NAG-ASN 1 C1 2 ND2 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
NAG-ASN 1 C1 2 ND2 2 CG 108.700 3.000
NAG-ASN 1 O5 1 C1 2 ND2 112.300 3.000
--- MAN-ASN ---
#
data_link_MAN-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
MAN-ASN 1 C1 2 ND2 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
MAN-ASN 1 C1 2 ND2 2 CG 108.700 3.000
MAN-ASN 1 O5 1 C1 2 ND2 112.300 3.000
--- XYS-THR ---
#
data_link_XYS-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
XYS-THR 1 C1 2 OG1 coval 1.413 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
XYS-THR 1 C1 2 OG1 2 CB 118.700 3.000
XYS-THR 1 O5 1 C1 2 OG1 116.100 3.000
--- XYS-SER ---
#
data_link_XYS-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
XYS-SER 1 C1 2 OG coval 1.413 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
XYS-SER 1 C1 2 OG 2 CB 118.700 3.000
XYS-SER 1 O5 1 C1 2 OG 116.100 3.000
--- XYS-ASN ---
#
data_link_XYS-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
XYS-ASN 1 C1 2 ND2 coval 1.439 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
XYS-ASN 1 C1 2 ND2 2 CG 118.700 3.000
XYS-ASN 1 O5 1 C1 2 ND2 116.100 3.000
--- ZN-CYS ---
#
data_link_ZN-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ZN-CYS 1 ZN 2 SG coval 2.340 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ZN-CYS 1 ZN 2 SG 2 CB 109.000 3.000
--- FE-CYS ---
#
data_link_FE-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
FE-CYS 1 FE 2 SG coval 2.260 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
FE-CYS 1 FE 2 SG 2 CB 109.470 3.000
--- SFN-TYR ---
#
data_link_SFN-TYR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
SFN-TYR 1 S 2 OH coval 1.669 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
SFN-TYR 1 S 2 OH 2 CZ 120.000 3.000
SFN-TYR 1 O3 1 S 2 OH 98.000 3.000
--- CH2-N2 ---
#
data_link_CH2-N2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
CH2-N2 1 CH2 2 N2 coval 1.465 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
CH2-N2 1 CH2 2 N2 2 C2 111.100 3.000
--- DM1-CH2 ---
#
data_link_DM1-CH2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
DM1-CH2 1 N3* 2 CH2 coval 1.529 0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
DM1-CH2 1 C3* 1 N3* 2 CH2 117.400 3.000
--- CH3-N1 ---
#
data_link_CH3-N1
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
CH3-N1 1 C 2 N1 coval 1.465 0.020
--- CH3-O2* ---
#
data_link_CH3-O2*
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
CH3-O2* 1 C 2 O2* coval 1.410 0.020
--- MG-O1P ---
#
data_link_MG-O1P
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
MG-O1P 1 MG 2 O1P coval 2.180 0.020
--- MG-O2P ---
#
data_link_MG-O2P
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
MG-O2P 1 MG 2 O2P coval 2.180 0.020
--- BR-C5 ---
#
data_link_BR-C5
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
BR-C5 1 BR 2 C5 coval 1.820 0.020
--- ILG_CD-N ---
#
data_link_ILG_CD-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ILG_CD-N 1 CD 2 N . 1.330 0.020
--- ILG_CD-p ---
#
data_link_ILG_CD-p
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ILG_CD-p 1 CD 2 N . 1.330 0.020
--- symmetry ---
#
data_link_symmetry
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
symmetry 0 . 0 . . 0.000 0.020
--- NH3 ---
#
data_mod_NH3
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
NH3 change N N . NT3 -0.200
NH3 add . H1 H HNT3 0.100
NH3 add . H2 H HNT3 0.100
NH3 change H H3 . HNT3 0.100
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
NH3 change N n/a . CA START
NH3 add H1 N . . .
NH3 add H2 N . . .
NH3 change H3 N . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
NH3 add N H1 coval 0.960 0.020
NH3 add N H2 coval 0.960 0.020
NH3 change N H3 coval 0.960 0.020
NH3 change N CA coval 1.491 0.021
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
NH3 add H2 N H3 109.470 3.000
NH3 change H3 N CA 109.470 3.000
NH3 add H2 N CA 109.470 3.000
NH3 add H1 N H2 109.470 3.000
NH3 add H1 N H3 109.470 3.000
NH3 add H1 N CA 109.470 3.000
--- COO ---
#
data_mod_COO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
COO change C C . C 0.340
COO change O O . OC -0.350
COO add . OXT O OC -0.350
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
COO add OXT C . . END
COO change C n/a . OXT .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
COO change C O coval 1.231 0.020
COO add C OXT coval 1.231 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
COO change CA C O 121.000 3.000
COO add CA C OXT 121.000 3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
COO add psi N CA C OXT 160.00 30.0 2
loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
COO add oxt C 0.020
COO add oxt CA 0.020
COO add oxt O 0.020
COO add oxt OXT 0.020
--- CM-COO ---
#
data_mod_CM-COO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
CM-COO change C C . C 0.340
CM-COO change O O . OC -0.350
CM-COO add . OXT O OC -0.350
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
CM-COO add OXT C . . END
CM-COO change C n/a . OXT .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
CM-COO change C O coval 1.231 0.020
CM-COO add C OXT coval 1.231 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
CM-COO change CM C O 121.000 3.000
CM-COO add CM C OXT 121.000 3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
CM-COO add psi CH CM C OXT 160.00 30.0 2
--- 5*END ---
#
data_mod_5*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
5*END delete P . . . 0.000
5*END delete O1P . . . 0.000
5*END delete O2P . . . 0.000
5*END change O5* O5* . OH1 -0.212
5*END add . HO5* H HOH1 0.142
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
5*END delete P n/a . . .
5*END delete O1P n/a . . .
5*END delete O2P n/a . . .
5*END change O5* n/a . C5* START
5*END add HO5* O5* . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
5*END add O5 HO5* coval 0.980 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
5*END add C5* O5* HO5* 120.000 3.000
--- 3*END ---
#
data_mod_3*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
3*END change O3* O3* . OH1 -0.257
3*END add . HO3* H HOH1 0.156
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
3*END change O3* C3* . . END
3*END add HO3* O3* . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
3*END add O3* HO3* coval 0.980 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
3*END add C3* O3* HO3* 120.000 3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
3*END add hh C4* C3* O3* HO3* 0.00 30.0 3
--- p5*END ---
#
data_mod_p5*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
p5*END add . O3T O OP -0.340
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
p5*END change P O3T . O5* .
p5*END add O3T n/a . P START
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
p5*END add O3T P coval 1.600 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
p5*END add O3T P O1P 109.470 3.000
p5*END add O3T P O2P 109.470 3.000
p5*END add O3T P O5* 109.470 3.000
--- p3*END ---
#
data_mod_p3*END
#
--- FOR-N ---
#
data_mod_FOR-N
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
FOR-N add . H H HC1 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
FOR-N add H C . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
FOR-N add C H coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
FOR-N add H C O 121.000 3.000
--- FOR-C ---
#
data_mod_FOR-C
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
FOR-C change O O . OC -0.350
FOR-C add . OXT O OC -0.350
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
FOR-C add OXT C . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
FOR-C change C O coval 1.231 0.020
FOR-C add C OXT coval 1.231 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
FOR-C add O C OXT 120.000 3.000
--- G-N2 ---
#
data_mod_G-N2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
G-N2 delete N2 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
G-N2 delete N2 n/a . . .
--- DEL-O1 ---
#
data_mod_DEL-O1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-O1 delete O1 . . . 0.000
DEL-O1 delete HO1 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-O1 delete O1 n/a . . .
DEL-O1 delete HO1 n/a . . .
--- DEL-O2 ---
#
data_mod_DEL-O2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-O2 delete O2 . . . 0.000
DEL-O2 delete HO2 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-O2 delete O2 n/a . . .
DEL-O2 delete HO2 n/a . . .
--- DEL-HO2 ---
#
data_mod_DEL-HO2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-HO2 delete HO2 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-HO2 change O2 n/a . . END
--- DEL-HO3 ---
#
data_mod_DEL-HO3
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-HO3 delete HO3 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-HO3 change O3 n/a . . END
--- DEL-HO4 ---
#
data_mod_DEL-HO4
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-HO4 delete HO4 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-HO4 change O4 n/a . . END
--- DEL-HO6 ---
#
data_mod_DEL-HO6
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-HO6 delete HO6 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-HO6 change O6 n/a . . END
--- DEL-OXT ---
#
data_mod_DEL-OXT
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
DEL-OXT delete OXT . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
DEL-OXT delete OXT n/a . . .
--- SUG-b-L ---
#
data_mod_SUG-b-L
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
SUG-b-L change C5 C4 O5 C6 negativ
SUG-b-L change C1 O1 O5 C2 positiv
--- SUG-a-D ---
#
data_mod_SUG-a-D
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
SUG-a-D change C5 C4 O5 C6 positiv
SUG-a-D change C1 O1 O5 C2 negativ
--- SUG-b-D ---
#
data_mod_SUG-b-D
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
SUG-b-D change C5 C4 O5 C6 positiv
SUG-b-D change C1 O1 O5 C2 positiv
--- SUG-a-L ---
#
data_mod_SUG-a-L
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
SUG-a-L change C5 C4 O5 C6 negativ
SUG-a-L change C1 O1 O5 C2 negativ
--- O1MET ---
#
data_mod_O1MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
O1MET change O1 . . O2 0.000
O1MET delete HO1 . . . 0.000
O1MET add . CM C CH3 0.000
O1MET add . HM1 H HCH 0.000
O1MET add . HM2 H HGH 0.000
O1MET add . HM3 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
O1MET change O1 C1 . CM .
O1MET delete HO1 n/a . . .
O1MET add CM O1 . HM3 .
O1MET add HM1 CM . . .
O1MET add HM2 CM . . .
O1MET add HM3 CM . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
O1MET add O1 CM coval 1.420 0.020
O1MET add CM HM1 coval 0.960 0.020
O1MET add CM HM2 coval 0.960 0.020
O1MET add CM HM3 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
O1MET add C1 O1 CM 120.000 3.000
O1MET add O1 CM HM1 109.470 3.000
O1MET add O1 CM HM2 109.470 3.000
O1MET add O1 CM HM3 109.470 3.000
O1MET add HM2 CM HM1 109.470 3.000
O1MET add HM3 CM HM1 109.470 3.000
O1MET add HM3 CM HM2 109.470 3.000
--- S2O4 ---
#
data_mod_S2O4
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
S2O4 change O4 . . O2 0.000
S2O4 delete HO4 . . . 0.000
S2O4 add . S S S 0.000
S2O4 add . O1S O O 0.000
S2O4 add . O2S O O 0.000
S2O4 add . O3S O O 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
S2O4 change O4 C4 . S .
S2O4 delete HO4 n/a . . .
S2O4 add S O4 . O3S .
S2O4 add O1S S . . .
S2O4 add O2S S . . .
S2O4 add O3S S . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
S2O4 add O4 S coval 1.590 0.020
S2O4 add S O1S coval 1.440 0.020
S2O4 add S O2S coval 1.440 0.020
S2O4 add S O3S coval 1.440 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
S2O4 add C4 O4 S 120.000 3.000
S2O4 add O4 S O1S 109.470 3.000
S2O4 add O4 S O2S 109.470 3.000
S2O4 add O4 S O3S 109.470 3.000
S2O4 add O2S S O1S 109.470 3.000
S2O4 add O3S S O1S 109.470 3.000
S2O4 add O3S S O2S 109.470 3.000
--- PEPT-D ---
#
data_mod_PEPT-D
#
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
PEPT-D change CA N CB C positiv
--- 1MA ---
#
data_mod_1MA
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
1MA change N1 . . NR6 0.000
1MA add . C1 C CH3 0.000
1MA add . H11 H HCH 0.000
1MA add . H12 H HGH 0.000
1MA add . H13 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
1MA add C1 N1 . H13 .
1MA add H11 C1 . . .
1MA add H12 C1 . . .
1MA add H13 C1 . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
1MA add C1 N1 coval 1.465 0.020
1MA add C1 H11 coval 0.960 0.020
1MA add C1 H12 coval 0.960 0.020
1MA add C1 H13 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
1MA add N1 C1 H11 109.470 3.000
1MA add N1 C1 H12 109.470 3.000
1MA add N1 C1 H13 109.470 3.000
1MA add H12 C1 H11 109.470 3.000
1MA add H13 C1 H11 109.470 3.000
1MA add H13 C1 H12 109.470 3.000
--- 1MG ---
#
data_mod_1MG
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
1MG change N1 . . NR6 0.000
1MG add . C1A C CH3 0.000
1MG add . H1A1 H HCH 0.000
1MG add . H1A2 H HGH 0.000
1MG add . H1A3 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
1MG add C1A N1 . H1A3 .
1MG add H1A1 C1A . . .
1MG add H1A2 C1A . . .
1MG add H1A3 C1A . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
1MG add C1A N1 coval 1.465 0.020
1MG add C1A H1A1 coval 0.960 0.020
1MG add C1A H1A2 coval 0.960 0.020
1MG add C1A H1A3 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
1MG add N1 C1A H1A1 109.470 3.000
1MG add N1 C1A H1A2 109.470 3.000
1MG add N1 C1A H1A3 109.470 3.000
1MG add H1A2 C1A H1A1 109.470 3.000
1MG add H1A3 C1A H1A1 109.470 3.000
1MG add H1A3 C1A H1A2 109.470 3.000
--- 2MG ---
#
data_mod_2MG
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
2MG change N2 . . NH1 0.000
2MG add . C2A C CH3 0.000
2MG add . H2A1 H HCH 0.000
2MG add . H2A2 H HGH 0.000
2MG add . H2A3 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
2MG change N2 C2 . C2A .
2MG add C2A N2 . H2A3 .
2MG add H2A1 C2A . . .
2MG add H2A2 C2A . . .
2MG add H2A3 C2A . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
2MG add C2A N2 coval 1.465 0.020
2MG add C2A H2A1 coval 0.960 0.020
2MG add C2A H2A2 coval 0.960 0.020
2MG add C2A H2A3 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
2MG add C2 N2 C2A 115.000 3.000
2MG add N2 C2A H2A1 109.470 3.000
2MG add N2 C2A H2A2 109.470 3.000
2MG add N2 C2A H2A3 109.470 3.000
2MG add H2A2 C2A H2A1 109.470 3.000
2MG add H2A3 C2A H2A1 109.470 3.000
2MG add H2A3 C2A H2A2 109.470 3.000
--- M2G ---
#
data_mod_M2G
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
M2G change N2 . . NH1 0.000
M2G add . C2A C CH3 0.000
M2G add . H2A1 H HCH 0.000
M2G add . H2A2 H HGH 0.000
M2G add . H2A3 H HCH 0.000
M2G add . C2B C CH3 0.000
M2G add . H2B1 H HCH 0.000
M2G add . H2B2 H HGH 0.000
M2G add . H2B3 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
M2G change N2 C2 . C2A .
M2G add C2A N2 . H2A3 .
M2G add H2A1 C2A . . .
M2G add H2A2 C2A . . .
M2G add H2A3 C2A . . .
M2G add C2B N2 . H2B3 .
M2G add H2B1 C2B . . .
M2G add H2B2 C2B . . .
M2G add H2B3 C2B . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
M2G add C2A N2 coval 1.465 0.020
M2G add C2A H2A1 coval 0.960 0.020
M2G add C2A H2A2 coval 0.960 0.020
M2G add C2A H2A3 coval 0.960 0.020
M2G add C2B N2 coval 1.465 0.020
M2G add C2B H2B1 coval 0.960 0.020
M2G add C2B H2B2 coval 0.960 0.020
M2G add C2B H2B3 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
M2G add C2 N2 C2A 118.000 3.000
M2G add C2 N2 C2B 118.000 3.000
M2G add C2A N2 C2B 124.000 3.000
M2G add N2 C2A H2A1 109.470 3.000
M2G add N2 C2A H2A2 109.470 3.000
M2G add N2 C2A H2A3 109.470 3.000
M2G add H2A2 C2A H2A1 109.470 3.000
M2G add H2A3 C2A H2A1 109.470 3.000
M2G add H2A3 C2A H2A2 109.470 3.000
M2G add N2 C2B H2B1 109.470 3.000
M2G add N2 C2B H2B2 109.470 3.000
M2G add N2 C2B H2B3 109.470 3.000
M2G add H2B2 C2B H2B1 109.470 3.000
M2G add H2B3 C2B H2B1 109.470 3.000
M2G add H2B3 C2B H2B2 109.470 3.000
--- O2*MET ---
#
data_mod_O2*MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
O2*MET change O2* . . OC2 0.000
O2*MET delete HO2* . . . 0.000
O2*MET add . C2A C CH3 0.000
O2*MET add . H2A1 H HCH 0.000
O2*MET add . H2A2 H HGH 0.000
O2*MET add . H2A3 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
O2*MET change O2* C2* . C2A .
O2*MET add C2A O2* . H2A3 .
O2*MET add H2A1 C2A . . .
O2*MET add H2A2 C2A . . .
O2*MET add H2A3 C2A . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
O2*MET add O2* C2A coval 1.420 0.020
O2*MET add C2A H2A1 coval 0.960 0.020
O2*MET add C2A H2A2 coval 0.960 0.020
O2*MET add C2A H2A3 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
O2*MET add C2* O2* C2A 120.000 3.000
O2*MET add O2* C2A H2A1 109.470 3.000
O2*MET add O2* C2A H2A2 109.470 3.000
O2*MET add O2* C2A H2A3 109.470 3.000
O2*MET add H2A2 C2A H2A1 109.470 3.000
O2*MET add H2A3 C2A H2A1 109.470 3.000
O2*MET add H2A3 C2A H2A2 109.470 3.000
--- C5MET ---
#
data_mod_C5MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
C5MET change C5 . . CR6 0.000
C5MET add . C5A C CH3 0.000
C5MET add . H5A1 H HCH 0.000
C5MET add . H5A2 H HGH 0.000
C5MET add . H5A3 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
C5MET add C5A C5 . H5A3 .
C5MET add H5A1 C5A . . .
C5MET add H5A2 C5A . . .
C5MET add H5A3 C5A . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
C5MET add C5A C5 coval 1.500 0.020
C5MET add C5A H5A1 coval 0.960 0.020
C5MET add C5A H5A2 coval 0.960 0.020
C5MET add C5A H5A3 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
C5MET add C4 C5 C5A 122.000 3.000
C5MET add C6 C5 C5A 118.000 3.000
C5MET add C5 C5A H5A2 109.470 3.000
C5MET add C5 C5A H5A3 109.470 3.000
C5MET add H5A2 C5A H5A1 109.470 3.000
C5MET add H5A3 C5A H5A1 109.470 3.000
C5MET add H5A3 C5A H5A2 109.470 3.000
--- N7MET ---
#
data_mod_N7MET
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
N7MET change N7 . . NR5 0.000
N7MET add . C7 C CH3 0.000
N7MET add . H71 H HCH 0.000
N7MET add . H72 H HGH 0.000
N7MET add . H73 H HCH 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
N7MET add C7 N7 . H73 .
N7MET add H71 C7 . . .
N7MET add H72 C7 . . .
N7MET add H73 C7 . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
N7MET add C7 N7 coval 1.465 0.020
N7MET add C7 H71 coval 0.960 0.020
N7MET add C7 H72 coval 0.960 0.020
N7MET add C7 H73 coval 0.960 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
N7MET add C5 N7 C7 126.000 3.000
N7MET add C8 N7 C7 126.000 3.000
N7MET add N7 C7 H71 109.470 3.000
N7MET add N7 C7 H72 109.470 3.000
N7MET add N7 C7 H73 109.470 3.000
N7MET add H72 C7 H71 109.470 3.000
N7MET add H73 C7 H71 109.470 3.000
N7MET add H73 C7 H72 109.470 3.000
--- RNA-O2* ---
#
data_mod_RNA-O2*
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
RNA-O2* delete O2* . . . 0.000
RNA-O2* delete HO2* . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
RNA-O2* delete O2* n/a . . .
RNA-O2* delete HO2* n/a . . .
--- XYS-O1 ---
#
data_mod_XYS-O1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
XYS-O1 delete O1 . . . 0.000
XYS-O1 delete HO1 . . . 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
XYS-O1 delete O1 n/a . . .
XYS-O1 delete HO1 n/a . . .
--- B2C ---
#
data_mod_B2C
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
B2C change C B B B 0.000
B2C change O O1 O O 0.000
B2C add . O2 O O 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
B2C change B CA . . END
B2C change CA N . B .
B2C change O1 B . . .
B2C add O2 B . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
B2C change B CA coval 1.560 0.020
B2C change B O1 coval 1.480 0.020
B2C add B O2 coval 1.480 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
B2C add O1 B O2 112.000 3.000
B2C change CA B O1 126.000 3.000
B2C add CA B O2 126.000 3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
B2C add hhb N CA B O2 0.00 30.0 3
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
B2C change CA N CB B negativ
--- B2C_D ---
#
data_mod_B2C_D
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
B2C_D change C B B B 0.000
B2C_D change O O1 O O 0.000
B2C_D add . O2 O O 0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
B2C_D change B CA . . END
B2C_D change CA N . B .
B2C_D change O1 B . . .
B2C_D add O2 B . . .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
B2C_D change B CA coval 1.560 0.020
B2C_D change B O1 coval 1.480 0.020
B2C_D add B O2 coval 1.480 0.020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
B2C_D add O1 B O2 112.000 3.000
B2C_D change CA B O1 126.000 3.000
B2C_D add CA B O2 126.000 3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
B2C_D add hhb N CA B O2 0.00 30.0 3
loop_
_chem_mod_chir.mod_id
_chem_mod_chir.function
_chem_mod_chir.atom_id_centre
_chem_mod_chir.atom_id_1
_chem_mod_chir.atom_id_2
_chem_mod_chir.atom_id_3
_chem_mod_chir.new_volume_sign
B2C_D change CA N CB B positiv
--- RENAME ---
#
data_mod_RENAME
#
--- TERMINUS ---
#
data_mod_TERMINUS
#