Obsolete: PRD_002396

PRD_002396 was replaced with 86Q on %C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C14	doub	1.38Å	1.42Å	Aromatic
C4	C3	sing	1.40Å	1.40Å	Aromatic
C4	HC4	sing	1.08Å	1.10Å
C14	C5	sing	1.50Å	1.53Å
C14	C13	sing	1.40Å	1.43Å	Aromatic
C5	C6	sing	1.53Å	1.53Å
C5	HC51	sing	1.09Å	1.12Å
C5	HC52	sing	1.09Å	1.12Å
C6	C11	sing	1.50Å	1.53Å
C6	HC61	sing	1.09Å	1.12Å
C6	HC62	sing	1.09Å	1.11Å
C11	C7	doub	1.38Å	1.41Å	Aromatic
C11	C12	sing	1.39Å	1.44Å	Aromatic
C7	C8	sing	1.38Å	1.41Å	Aromatic
C7	HC7	sing	1.08Å	1.10Å
C8	C9	doub	1.38Å	1.41Å	Aromatic
C8	HC8	sing	1.08Å	1.10Å
C9	C10	sing	1.38Å	1.41Å	Aromatic
C9	HC9	sing	1.08Å	1.10Å
C10	C12	doub	1.39Å	1.42Å	Aromatic
C10	H10C	sing	1.08Å	1.10Å
C12	C13	sing	1.48Å	1.56Å	Aromatic
C13	N1	doub	1.32Å	1.34Å	Aromatic
N1	N2	sing	1.28Å	1.35Å	Aromatic
N2	C3	doub	1.33Å	1.37Å	Aromatic
C3	N3	sing	1.39Å	1.33Å
N3	HN31	sing	0.97Å	1.02Å
N3	HN32	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C4	C3	118.5°	117.6°
C14	C4	HC4	121.3°	121.2°
C4	C14	C5	119.2°	121.3°
C4	C14	C13	120.0°	118.4°
C3	C4	HC4	120.2°	121.2°
C4	C3	N2	118.7°	120.0°
C4	C3	N3	120.6°	120.0°
C5	C14	C13	120.8°	120.4°
C14	C5	C6	118.8°	110.7°
C14	C5	HC51	108.8°	109.3°
C14	C5	HC52	108.8°	109.2°
C14	C13	C12	120.7°	118.9°
C14	C13	N1	118.0°	119.9°
C6	C5	HC51	108.9°	109.2°
C6	C5	HC52	108.8°	109.2°
C5	C6	C11	118.8°	110.9°
C5	C6	HC61	108.8°	109.2°
C5	C6	HC62	108.8°	109.2°
HC51	C5	HC52	101.2°	109.2°
C11	C6	HC61	108.8°	109.2°
C11	C6	HC62	108.8°	109.2°
C6	C11	C7	118.3°	120.1°
C6	C11	C12	121.2°	120.3°
HC61	C6	HC62	101.2°	109.2°
C7	C11	C12	120.5°	119.6°
C11	C7	C8	120.0°	120.1°
C11	C7	HC7	120.0°	119.9°
C11	C12	C10	119.1°	120.0°
C11	C12	C13	119.6°	118.9°
C8	C7	HC7	120.0°	120.0°
C7	C8	C9	119.8°	120.4°
C7	C8	HC8	120.0°	119.8°
C9	C8	HC8	120.2°	119.8°
C8	C9	C10	121.1°	120.0°
C8	C9	HC9	119.5°	120.0°
C10	C9	HC9	119.4°	120.0°
C9	C10	C12	119.6°	119.8°
C9	C10	H10C	120.0°	120.1°
C12	C10	H10C	120.4°	120.0°
C10	C12	C13	121.3°	121.0°
C12	C13	N1	121.3°	121.2°
C13	N1	N2	122.3°	121.7°
N1	N2	C3	122.5°	122.4°
N2	C3	N3	120.6°	120.0°
C3	N3	HN31	108.2°	120.0°
C3	N3	HN32	120.6°	120.0°
HN31	N3	HN32	108.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C4	C3	HC4	180.0°	179.9°
C4	C14	C5	C13	179.9°	179.2°
C4	C14	C5	C6	179.7°	145.0°
C4	C14	C5	HC51	54.4°	94.7°
C4	C14	C5	HC52	55.0°	24.7°
C4	C14	C13	C12	179.7°	178.8°
C4	C14	C13	N1	0.2°	0.9°
C14	C4	C3	N2	0.3°	0.0°
C14	C4	C3	N3	179.7°	179.7°
C3	C4	C14	C5	179.8°	178.9°
C3	C4	C14	C13	0.1°	0.4°
C4	C3	N2	N1	0.3°	0.1°
C4	C3	N2	N3	180.0°	179.7°
C4	C3	N3	HN31	54.7°	179.9°
C4	C3	N3	HN32	180.0°	0.4°
HC4	C4	C14	C5	0.2°	1.1°
HC4	C4	C14	C13	179.9°	179.7°
HC4	C4	C3	N2	179.7°	179.9°
HC4	C4	C3	N3	0.3°	0.4°
C14	C5	C6	HC51	125.3°	120.4°
C14	C5	C6	HC52	125.2°	120.3°
C14	C5	HC51	HC52	114.5°	119.4°
C14	C5	C6	C11	0.1°	50.3°
C14	C5	C6	HC61	125.3°	170.7°
C14	C5	C6	HC62	125.2°	70.1°
C5	C14	C13	C12	0.2°	1.9°
C5	C14	C13	N1	180.0°	178.3°
C13	C14	C5	C6	0.2°	35.8°
C13	C14	C5	HC51	125.5°	84.5°
C13	C14	C5	HC52	125.1°	156.1°
C14	C13	C12	C11	0.1°	16.9°
C14	C13	C12	C10	179.7°	163.6°
C14	C13	C12	N1	179.9°	179.7°
C14	C13	N1	N2	0.2°	1.1°
C6	C5	HC51	HC52	114.6°	119.4°
C5	C6	C11	HC61	125.2°	120.4°
C5	C6	C11	HC62	125.2°	120.3°
C5	C6	HC61	HC62	114.6°	119.3°
C5	C6	C11	C7	179.8°	145.2°
C5	C6	C11	C12	0.3°	35.1°
HC51	C5	C6	C11	125.2°	70.1°
HC51	C5	C6	HC61	0.0°	50.3°
HC51	C5	C6	HC62	109.5°	169.6°
HC52	C5	C6	C11	125.3°	170.6°
HC52	C5	C6	HC61	109.5°	69.0°
HC52	C5	C6	HC62	0.0°	50.2°
C11	C6	HC61	HC62	114.6°	119.3°
C6	C11	C7	C12	179.9°	179.8°
C6	C11	C7	C8	179.9°	178.9°
C6	C11	C7	HC7	0.1°	1.1°
C6	C11	C12	C10	179.9°	178.4°
C6	C11	C12	C13	0.3°	1.1°
HC61	C6	C11	C7	54.6°	24.8°
HC61	C6	C11	C12	125.5°	155.5°
HC62	C6	C11	C7	55.0°	94.5°
HC62	C6	C11	C12	124.9°	85.3°
C11	C7	C8	HC7	180.0°	180.0°
C11	C7	C8	C9	0.2°	0.1°
C11	C7	C8	HC8	179.8°	179.8°
C7	C11	C12	C10	0.2°	1.3°
C7	C11	C12	C13	179.8°	179.1°
C12	C11	C7	C8	0.2°	0.8°
C12	C11	C7	HC7	179.8°	179.2°
C11	C12	C10	C9	0.1°	1.0°
C11	C12	C10	C13	179.6°	179.5°
C11	C12	C10	H10C	179.9°	179.0°
C11	C12	C13	N1	179.8°	162.8°
C7	C8	C9	HC8	180.0°	179.8°
C7	C8	C9	C10	0.2°	0.5°
C7	C8	C9	HC9	179.8°	179.5°
HC7	C7	C8	C9	179.8°	179.9°
HC7	C7	C8	HC8	0.2°	0.2°
C8	C9	C10	HC9	180.0°	179.9°
C8	C9	C10	C12	0.1°	0.1°
C8	C9	C10	H10C	179.9°	179.9°
HC8	C8	C9	C10	179.8°	179.4°
HC8	C8	C9	HC9	0.1°	0.7°
C9	C10	C12	H10C	180.0°	179.9°
C9	C10	C12	C13	179.7°	179.5°
HC9	C9	C10	C12	179.9°	180.0°
HC9	C9	C10	H10C	0.1°	0.1°
C10	C12	C13	N1	0.2°	16.7°
H10C	C10	C12	C13	0.2°	0.6°
C12	C13	N1	N2	179.7°	178.6°
C13	N1	N2	C3	0.0°	0.7°
N1	N2	C3	N3	179.8°	179.8°
N2	C3	N3	HN31	125.2°	0.2°
N2	C3	N3	HN32	0.0°	179.3°
C3	N3	HN31	HN32	132.3°	179.6°

Release date:	2023-05-10
Last modified:	2024-05-29
Processing site:	RCSB
Replaced by:	86Q