179

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C17	doub	1.40Å	1.39Å	Aromatic
C18	C9	sing	1.38Å	1.40Å	Aromatic
C17	C16	sing	1.41Å	1.40Å	Aromatic
C17	C12	sing	1.42Å	1.40Å	Aromatic
C16	C15	doub	1.36Å	1.40Å	Aromatic
C15	C14	sing	1.39Å	1.40Å	Aromatic
C14	C13	doub	1.36Å	1.40Å	Aromatic
C13	C12	sing	1.41Å	1.40Å	Aromatic
C12	C11	doub	1.41Å	1.40Å	Aromatic
C11	C10	sing	1.36Å	1.40Å	Aromatic
C10	C9	doub	1.40Å	1.40Å	Aromatic
C9	N2	sing	1.40Å	1.34Å
N2	C8	sing	1.35Å	1.34Å
C8	O8	doub	1.21Å	1.24Å
C8	C7	sing	1.49Å	1.54Å
C7	O7	doub	1.21Å	1.23Å
C7	N1	sing	1.35Å	1.33Å
N1	C1	sing	1.46Å	1.47Å
C1	O5	sing	1.43Å	1.46Å
C1	C2	sing	1.53Å	1.54Å
O5	C5	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.55Å
C6	O6	sing	1.43Å	1.44Å
C4	O4	sing	1.43Å	1.41Å
C4	C3	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.43Å
C3	C2	sing	1.53Å	1.54Å
C2	O2	sing	1.43Å	1.43Å
C18	H18	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
N2	HN2	sing	0.97Å	1.00Å
N1	HN1	sing	0.97Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C18	C9	120.0°	119.5°
C18	C17	C16	119.8°	121.2°
C18	C17	C12	120.0°	119.4°
C17	C18	H18	120.0°	120.3°
C18	C9	C10	119.9°	120.6°
C18	C9	N2	122.6°	119.7°
C9	C18	H18	120.0°	120.2°
C16	C17	C12	120.3°	119.4°
C17	C16	C15	119.8°	119.7°
C17	C16	H16	120.1°	120.2°
C17	C12	C13	119.8°	119.3°
C17	C12	C11	120.2°	119.6°
C16	C15	C14	120.0°	121.0°
C15	C16	H16	120.1°	120.1°
C16	C15	H15	120.0°	119.5°
C15	C14	C13	120.5°	121.0°
C14	C15	H15	120.0°	119.5°
C15	C14	H14	119.7°	119.5°
C14	C13	C12	119.7°	119.7°
C13	C14	H14	119.8°	119.5°
C14	C13	H13	120.2°	120.1°
C13	C12	C11	119.9°	121.2°
C12	C13	H13	120.2°	120.1°
C12	C11	C10	119.5°	119.9°
C12	C11	H11	120.3°	120.0°
C11	C10	C9	120.4°	120.9°
C10	C11	H11	120.2°	120.1°
C11	C10	H10	119.8°	119.6°
C10	C9	N2	117.6°	119.7°
C9	C10	H10	119.8°	119.5°
C9	N2	C8	127.8°	120.0°
C9	N2	HN2	116.1°	120.0°
N2	C8	O8	125.7°	120.0°
N2	C8	C7	116.5°	120.0°
C8	N2	HN2	116.1°	120.0°
O8	C8	C7	117.9°	120.0°
C8	C7	O7	119.2°	120.0°
C8	C7	N1	117.7°	120.0°
O7	C7	N1	123.1°	120.0°
C7	N1	C1	119.1°	120.1°
C7	N1	HN1	120.4°	120.0°
N1	C1	O5	107.5°	109.5°
N1	C1	C2	111.8°	109.5°
C1	N1	HN1	120.4°	120.0°
N1	C1	H1	109.7°	109.5°
O5	C1	C2	110.9°	109.4°
C1	O5	C5	110.3°	114.1°
O5	C1	H1	110.7°	109.5°
C1	C2	C3	109.8°	109.2°
C1	C2	O2	110.6°	109.5°
C2	C1	H1	106.3°	109.5°
C1	C2	H2	109.2°	109.5°
O5	C5	C6	106.7°	109.5°
O5	C5	C4	109.7°	109.4°
O5	C5	H5	112.3°	109.5°
C6	C5	C4	112.8°	109.5°
C5	C6	O6	109.7°	109.5°
C6	C5	H5	109.2°	109.5°
C5	C6	H6	109.4°	109.5°
C5	C6	H6A	109.4°	109.5°
C5	C4	O4	108.8°	109.5°
C5	C4	C3	112.2°	109.2°
C4	C5	H5	106.2°	109.5°
C5	C4	H4	108.3°	109.5°
O6	C6	H6	109.4°	109.5°
O6	C6	H6A	109.3°	109.4°
C6	O6	HO6	109.5°	114.0°
O4	C4	C3	109.9°	109.5°
O4	C4	H4	110.6°	109.6°
C4	O4	HO4	109.5°	114.0°
C4	C3	O3	111.4°	109.6°
C4	C3	C2	110.2°	109.0°
C3	C4	H4	107.1°	109.6°
C4	C3	H3	107.9°	109.5°
O3	C3	C2	109.9°	109.5°
O3	C3	H3	108.1°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C2	O2	111.5°	109.5°
C2	C3	H3	109.4°	109.6°
C3	C2	H2	108.3°	109.5°
O2	C2	H2	107.4°	109.6°
C2	O2	HO2	109.5°	114.0°
H6	C6	H6A	109.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C18	C9	H18	180.0°	179.7°
C18	C17	C16	C12	179.9°	179.9°
C18	C17	C16	C15	179.5°	180.0°
C18	C17	C12	C13	179.7°	180.0°
C18	C17	C12	C11	0.1°	0.1°
C17	C18	C9	C10	0.7°	0.0°
C17	C18	C9	N2	179.6°	180.0°
C18	C17	C16	H16	0.4°	0.1°
C9	C18	C17	C16	179.7°	179.9°
C9	C18	C17	C12	0.4°	0.0°
C18	C9	C10	C11	0.5°	0.0°
C18	C9	C10	N2	178.9°	180.0°
C18	C9	N2	C8	16.2°	144.8°
C18	C9	C10	H10	179.5°	179.9°
C18	C9	N2	HN2	163.8°	35.2°
C17	C16	C15	H16	180.0°	179.9°
C17	C16	C15	C14	0.6°	0.1°
C16	C17	C12	C13	0.1°	0.1°
C16	C17	C12	C11	179.8°	180.0°
C16	C17	C18	H18	0.3°	0.2°
C17	C16	C15	H15	179.4°	180.0°
C12	C17	C16	C15	0.3°	0.1°
C17	C12	C13	C14	0.2°	0.1°
C17	C12	C13	C11	179.7°	179.9°
C17	C12	C11	C10	0.3°	0.1°
C12	C17	C18	H18	179.6°	179.7°
C12	C17	C16	H16	179.7°	180.0°
C17	C12	C13	H13	179.9°	180.0°
C17	C12	C11	H11	179.7°	180.0°
C16	C15	C14	H15	180.0°	179.9°
C16	C15	C14	C13	0.6°	0.1°
C16	C15	C14	H14	179.4°	180.0°
C15	C14	C13	H14	180.0°	179.9°
C15	C14	C13	C12	0.4°	0.1°
C14	C15	C16	H16	179.4°	180.0°
C15	C14	C13	H13	179.6°	180.0°
C14	C13	C12	H13	180.0°	179.9°
C14	C13	C12	C11	179.8°	180.0°
C13	C14	C15	H15	179.4°	180.0°
C13	C12	C11	C10	179.9°	180.0°
C12	C13	C14	H14	179.6°	180.0°
C13	C12	C11	H11	0.0°	0.1°
C12	C11	C10	H11	180.0°	179.9°
C12	C11	C10	C9	0.0°	0.0°
C11	C12	C13	H13	0.2°	0.1°
C12	C11	C10	H10	180.0°	180.0°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	N2	179.5°	180.0°
C10	C9	N2	C8	162.7°	35.2°
C10	C9	C18	H18	179.3°	179.8°
C9	C10	C11	H11	180.0°	179.9°
C10	C9	N2	HN2	17.3°	144.9°
C9	N2	C8	HN2	180.0°	179.9°
C9	N2	C8	O8	1.8°	4.6°
C9	N2	C8	C7	178.7°	175.5°
N2	C9	C18	H18	0.4°	0.2°
N2	C9	C10	H10	0.5°	0.0°
N2	C8	O8	C7	179.5°	179.9°
N2	C8	C7	O7	0.4°	0.1°
N2	C8	C7	N1	179.2°	180.0°
O8	C8	C7	O7	179.9°	180.0°
O8	C8	C7	N1	0.4°	0.0°
O8	C8	N2	HN2	178.2°	175.5°
C8	C7	O7	N1	179.5°	180.0°
C8	C7	N1	C1	180.0°	180.0°
C7	C8	N2	HN2	1.3°	4.5°
C8	C7	N1	HN1	0.0°	0.0°
O7	C7	N1	C1	0.4°	0.0°
O7	C7	N1	HN1	179.5°	180.0°
C7	N1	C1	HN1	180.0°	180.0°
C7	N1	C1	O5	90.7°	95.0°
C7	N1	C1	C2	147.4°	145.1°
C7	N1	C1	H1	29.7°	25.0°
N1	C1	O5	C2	122.5°	120.0°
N1	C1	O5	H1	119.8°	120.0°
N1	C1	C2	H1	119.7°	120.1°
N1	C1	O5	C5	172.1°	178.8°
N1	C1	C2	C3	178.1°	177.6°
N1	C1	C2	O2	58.4°	62.5°
N1	C1	C2	H2	59.5°	57.7°
O5	C1	C2	H1	120.3°	119.9°
C1	O5	C5	C6	174.6°	178.8°
C1	O5	C5	C4	62.8°	61.2°
O5	C1	C2	C3	58.1°	57.6°
O5	C1	C2	O2	178.5°	177.5°
O5	C1	N1	HN1	89.3°	85.0°
C1	O5	C5	H5	55.0°	58.8°
O5	C1	C2	H2	60.5°	62.3°
C2	C1	O5	C5	65.4°	61.2°
C1	C2	C3	C4	50.1°	57.0°
C1	C2	C3	O3	173.2°	176.9°
C1	C2	C3	O2	123.0°	119.9°
C1	C2	C3	H2	119.1°	119.9°
C1	C2	O2	H2	119.1°	120.1°
C2	C1	N1	HN1	32.6°	34.9°
C1	C2	C3	H3	68.3°	62.9°
C1	C2	O2	HO2	8.8°	60.0°
O5	C5	C6	C4	120.6°	119.9°
O5	C5	C6	H5	121.7°	120.0°
O5	C5	C4	H5	121.6°	120.0°
O5	C5	C6	O6	64.8°	65.0°
O5	C5	C4	O4	177.6°	177.5°
O5	C5	C4	C3	55.8°	57.6°
C5	O5	C1	H1	52.3°	58.8°
O5	C5	C6	H6	55.2°	175.0°
O5	C5	C6	H6A	175.3°	55.0°
O5	C5	C4	H4	62.1°	62.3°
C6	C5	C4	H5	119.5°	120.0°
C5	C6	O6	H6	120.0°	120.0°
C5	C6	O6	H6A	119.9°	120.0°
C6	C5	C4	O4	63.5°	62.5°
C6	C5	C4	C3	174.7°	177.6°
C5	C6	H6	H6A	119.9°	120.0°
C5	C6	O6	HO6	74.1°	180.0°
C6	C5	C4	H4	56.7°	57.7°
C4	C5	C6	O6	55.7°	175.1°
C5	C4	O4	C3	123.2°	119.7°
C5	C4	O4	H4	118.8°	120.1°
C5	C4	C3	H4	118.7°	119.9°
C5	C4	C3	O3	171.9°	176.8°
C5	C4	C3	C2	49.7°	57.0°
C4	C5	C6	H6	175.7°	55.0°
C4	C5	C6	H6A	64.2°	65.0°
C5	C4	O4	HO4	11.6°	180.0°
C5	C4	C3	H3	69.6°	62.9°
O6	C6	C5	H5	173.5°	55.1°
O6	C6	H6	H6A	119.9°	119.9°
O4	C4	C3	H4	120.2°	120.2°
O4	C4	C3	O3	67.0°	63.3°
O4	C4	C3	C2	170.8°	176.9°
O4	C4	C5	H5	56.0°	57.5°
O4	C4	C3	H3	51.5°	57.0°
C4	C3	O3	C2	122.4°	119.5°
C4	C3	O3	H3	118.3°	120.2°
C4	C3	C2	H3	118.4°	119.9°
C4	C3	C2	O2	173.1°	176.9°
C3	C4	C5	H5	65.8°	62.4°
C3	C4	O4	HO4	111.6°	60.4°
C4	C3	O3	HO3	83.6°	180.0°
C4	C3	C2	H2	69.0°	62.9°
O3	C3	C2	H3	118.5°	120.3°
O3	C3	C2	O2	63.9°	63.2°
O3	C3	C4	H4	53.2°	56.9°
O3	C3	C2	H2	54.0°	56.9°
C3	C2	O2	H2	118.4°	120.2°
C3	C2	C1	H1	62.2°	62.3°
C2	C3	C4	H4	69.0°	62.9°
C2	C3	O3	HO3	154.0°	60.5°
C3	C2	O2	HO2	131.2°	179.7°
O2	C2	C1	H1	61.2°	57.6°
O2	C2	C3	H3	54.7°	57.0°
H16	C16	C15	H15	0.5°	0.1°
H15	C15	C14	H14	0.6°	0.1°
H14	C14	C13	H13	0.4°	0.1°
H11	C11	C10	H10	0.0°	0.1°
HN1	N1	C1	H1	150.2°	155.0°
H1	C1	C2	H2	179.2°	177.7°
H5	C5	C6	H6	66.5°	65.0°
H5	C5	C6	H6A	53.6°	175.0°
H5	C5	C4	H4	176.3°	177.7°
H6	C6	O6	HO6	165.9°	59.9°
H6A	C6	O6	HO6	45.8°	60.0°
H4	C4	O4	HO4	130.4°	59.8°
H4	C4	C3	H3	171.7°	177.2°
H3	C3	O3	HO3	34.7°	59.8°
H3	C3	C2	H2	172.6°	177.2°
H2	C2	O2	HO2	110.3°	60.1°

Definition date:	2008-04-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3CUT