OM2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.38Å	1.38Å	Aromatic
C1	C3	doub	1.38Å	1.37Å	Aromatic
C2	C4	doub	1.38Å	1.38Å	Aromatic
C3	C7	sing	1.40Å	1.38Å	Aromatic
C4	C9	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	C10	doub	1.38Å	1.40Å	Aromatic
C6	C11	doub	1.38Å	1.38Å	Aromatic
C7	C9	doub	1.39Å	1.39Å	Aromatic
C7	C13	sing	1.48Å	1.48Å
C8	C10	sing	1.40Å	1.39Å	Aromatic
C8	C12	doub	1.40Å	1.39Å	Aromatic
C8	C14	sing	1.47Å	1.49Å
C9	C19	sing	1.51Å	1.51Å
C10	C20	sing	1.51Å	1.50Å
C11	C12	sing	1.39Å	1.36Å	Aromatic
C11	O28	sing	1.37Å	1.36Å
C12	O29	sing	1.36Å	1.37Å
C13	N23	sing	1.35Å	1.39Å
C13	O26	doub	1.22Å	1.23Å
C14	O25	doub	1.21Å	1.25Å
C14	O27	sing	1.35Å	1.26Å
C15	O28	sing	1.44Å	1.41Å
C15	O29	sing	1.44Å	1.43Å
C16	C21	sing	1.53Å	1.54Å
C17	C22	sing	1.53Å	1.54Å
C18	N24	sing	1.47Å	1.50Å
C19	N24	sing	1.47Å	1.49Å
C20	N24	sing	1.47Å	1.51Å
C21	C22	sing	1.53Å	1.53Å
C22	N23	sing	1.47Å	1.46Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
N23	H23	sing	0.97Å	1.00Å
O27	H27	sing	0.97Å	0.95Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C16	H163	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C17	H173	sing	1.09Å	1.10Å
C22	H22	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
N24	H224	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	120.5°	120.2°
C1	C2	C4	119.7°	120.3°
C2	C1	H1	119.8°	119.9°
C1	C2	H2	120.2°	119.8°
C1	C3	C7	119.5°	119.8°
C3	C1	H1	119.8°	119.9°
C1	C3	H3	120.2°	120.1°
C2	C4	C9	120.9°	120.2°
C4	C2	H2	120.2°	119.9°
C2	C4	H4	119.6°	119.9°
C3	C7	C9	120.9°	119.8°
C3	C7	C13	115.7°	120.1°
C7	C3	H3	120.2°	120.1°
C4	C9	C7	118.5°	119.8°
C4	C9	C19	117.7°	120.0°
C9	C4	H4	119.5°	120.0°
C6	C5	C10	121.2°	120.4°
C5	C6	C11	118.3°	120.4°
C6	C5	H5	119.4°	119.8°
C5	C6	H6	120.8°	119.8°
C5	C10	C8	119.8°	120.0°
C5	C10	C20	120.6°	120.0°
C10	C5	H5	119.4°	119.8°
C6	C11	C12	120.5°	119.9°
C6	C11	O28	126.6°	131.5°
C11	C6	H6	120.9°	119.8°
C9	C7	C13	123.4°	120.1°
C7	C9	C19	123.8°	120.1°
C7	C13	N23	115.7°	120.0°
C7	C13	O26	118.3°	120.0°
C10	C8	C12	117.5°	119.6°
C10	C8	C14	121.1°	120.2°
C8	C10	C20	119.6°	120.0°
C12	C8	C14	121.4°	120.2°
C8	C12	C11	122.7°	119.7°
C8	C12	O29	126.5°	131.6°
C8	C14	O25	115.4°	120.0°
C8	C14	O27	119.6°	120.0°
C9	C19	N24	114.8°	109.5°
C9	C19	H191	108.1°	109.5°
C9	C19	H192	108.1°	109.5°
C10	C20	N24	109.7°	109.5°
C10	C20	H201	109.4°	109.5°
C10	C20	H202	109.4°	109.4°
C12	C11	O28	112.9°	108.6°
C11	C12	O29	110.8°	108.7°
C11	O28	C15	100.4°	105.4°
C12	O29	C15	100.8°	105.5°
N23	C13	O26	125.8°	120.0°
C13	N23	C22	128.6°	120.0°
C13	N23	H23	115.7°	120.0°
O25	C14	O27	125.0°	120.0°
C14	O27	H27	109.5°	117.1°
O28	C15	O29	113.3°	103.7°
O28	C15	H151	108.5°	110.5°
O28	C15	H152	108.5°	110.5°
O29	C15	H151	108.5°	110.6°
O29	C15	H152	108.5°	110.6°
C16	C21	C22	108.9°	109.5°
C21	C16	H161	109.5°	109.4°
C21	C16	H162	109.4°	109.4°
C21	C16	H163	109.5°	109.5°
C16	C21	H211	109.6°	109.5°
C16	C21	H212	109.6°	109.5°
C17	C22	C21	112.7°	109.5°
C17	C22	N23	113.6°	109.4°
C22	C17	H171	109.5°	109.5°
C22	C17	H172	109.5°	109.4°
C22	C17	H173	109.5°	109.5°
C17	C22	H22	105.8°	109.4°
C18	N24	C19	109.4°	109.4°
C18	N24	C20	115.7°	109.5°
N24	C18	H181	109.5°	109.5°
N24	C18	H182	109.5°	109.5°
N24	C18	H183	109.5°	109.4°
C18	N24	H224	105.1°	109.5°
C19	N24	C20	115.2°	109.5°
N24	C19	H191	108.1°	109.4°
N24	C19	H192	108.1°	109.4°
C19	N24	H224	105.3°	109.5°
N24	C20	H201	109.4°	109.5°
N24	C20	H202	109.4°	109.5°
C20	N24	H224	105.0°	109.5°
C21	C22	N23	111.3°	109.5°
C22	C21	H211	109.6°	109.4°
C22	C21	H212	109.6°	109.5°
C21	C22	H22	106.0°	109.5°
C22	N23	H23	115.7°	120.0°
N23	C22	H22	106.7°	109.5°
H191	C19	H192	109.4°	109.5°
H201	C20	H202	109.5°	109.5°
H151	C15	H152	109.5°	110.6°
H161	C16	H162	109.5°	109.5°
H161	C16	H163	109.5°	109.5°
H162	C16	H163	109.5°	109.5°
H211	C21	H212	109.5°	109.5°
H171	C17	H172	109.5°	109.5°
H171	C17	H173	109.5°	109.5°
H172	C17	H173	109.5°	109.5°
H181	C18	H182	109.5°	109.4°
H181	C18	H183	109.5°	109.4°
H182	C18	H183	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	180.0°	179.8°
C1	C2	C4	H2	180.0°	179.9°
C2	C1	C3	C7	0.0°	0.1°
C1	C2	C4	C9	0.6°	0.0°
C2	C1	C3	H3	180.0°	180.0°
C1	C2	C4	H4	179.4°	180.0°
C3	C1	C2	C4	0.4°	0.1°
C1	C3	C7	H3	180.0°	180.0°
C1	C3	C7	C9	0.3°	0.0°
C1	C3	C7	C13	179.5°	180.0°
C3	C1	C2	H2	179.6°	180.0°
C2	C4	C9	H4	180.0°	180.0°
C2	C4	C9	C7	0.3°	0.0°
C2	C4	C9	C19	179.6°	180.0°
C4	C2	C1	H1	179.6°	179.8°
C3	C7	C9	C4	0.1°	0.0°
C3	C7	C9	C13	179.8°	180.0°
C3	C7	C9	C19	180.0°	180.0°
C3	C7	C13	N23	169.0°	0.0°
C3	C7	C13	O26	7.5°	180.0°
C7	C3	C1	H1	180.0°	179.8°
C4	C9	C7	C19	179.9°	180.0°
C4	C9	C7	C13	179.7°	180.0°
C4	C9	C19	N24	106.4°	100.0°
C9	C4	C2	H2	179.4°	180.0°
C4	C9	C19	H191	132.8°	20.0°
C4	C9	C19	H192	14.4°	140.0°
C6	C5	C10	H5	180.0°	179.8°
C5	C6	C11	H6	180.0°	180.0°
C6	C5	C10	C8	0.1°	0.0°
C6	C5	C10	C20	179.0°	180.0°
C5	C6	C11	C12	0.5°	0.0°
C5	C6	C11	O28	179.8°	180.0°
C10	C5	C6	C11	0.2°	0.0°
C5	C10	C8	C20	179.0°	180.0°
C5	C10	C8	C12	0.3°	0.0°
C5	C10	C8	C14	179.2°	180.0°
C5	C10	C20	N24	102.6°	101.4°
C10	C5	C6	H6	179.8°	180.0°
C5	C10	C20	H201	137.4°	138.6°
C5	C10	C20	H202	17.4°	18.6°
C6	C11	C12	C8	0.7°	0.0°
C6	C11	C12	O28	179.4°	180.0°
C6	C11	C12	O29	180.0°	179.9°
C6	C11	O28	C15	171.9°	162.8°
C11	C6	C5	H5	179.8°	179.8°
C9	C7	C13	N23	10.8°	180.0°
C9	C7	C13	O26	172.7°	0.0°
C7	C9	C19	N24	73.7°	80.0°
C9	C7	C3	H3	179.7°	180.0°
C7	C9	C4	H4	179.7°	180.0°
C7	C9	C19	H191	47.1°	160.0°
C7	C9	C19	H192	165.5°	40.0°
C13	C7	C9	C19	0.3°	0.0°
C7	C13	N23	O26	176.2°	180.0°
C7	C13	N23	C22	151.0°	180.0°
C13	C7	C3	H3	0.5°	0.0°
C7	C13	N23	H23	29.0°	0.0°
C10	C8	C12	C14	179.0°	179.9°
C10	C8	C12	C11	0.6°	0.0°
C10	C8	C12	O29	179.7°	179.9°
C10	C8	C14	O25	142.9°	95.9°
C10	C8	C14	O27	34.5°	84.1°
C8	C10	C20	N24	76.3°	78.6°
C8	C10	C5	H5	179.9°	179.8°
C8	C10	C20	H201	43.7°	41.4°
C8	C10	C20	H202	163.6°	161.4°
C12	C8	C10	C20	179.2°	180.0°
C8	C12	C11	O29	179.3°	179.9°
C8	C12	C11	O28	179.9°	180.0°
C12	C8	C14	O25	36.1°	84.1°
C12	C8	C14	O27	146.5°	95.8°
C8	C12	O29	C15	172.5°	162.7°
C14	C8	C10	C20	1.8°	0.0°
C14	C8	C12	C11	179.5°	180.0°
C14	C8	C12	O29	1.3°	0.1°
C8	C14	O25	O27	177.2°	180.0°
C8	C14	O27	H27	177.1°	180.0°
C9	C19	N24	C18	152.9°	65.0°
C9	C19	N24	H191	120.8°	120.1°
C9	C19	N24	H192	120.8°	120.0°
C9	C19	N24	C20	74.8°	175.0°
C19	C9	C4	H4	0.4°	0.0°
C9	C19	H191	H192	117.6°	120.0°
C9	C19	N24	H224	40.4°	55.0°
C10	C20	N24	C18	40.0°	64.0°
C10	C20	N24	C19	169.3°	176.0°
C10	C20	N24	H201	120.0°	120.0°
C10	C20	N24	H202	120.0°	120.0°
C20	C10	C5	H5	1.0°	0.2°
C10	C20	H201	H202	119.9°	120.0°
C10	C20	N24	H224	75.4°	56.0°
C12	C11	O28	C15	7.5°	17.3°
C11	C12	O29	C15	8.2°	17.4°
C12	C11	C6	H6	179.5°	180.0°
O28	C11	C12	O29	0.6°	0.1°
C11	O28	C15	O29	13.1°	27.1°
O28	C11	C6	H6	0.1°	0.0°
C11	O28	C15	H151	133.7°	145.7°
C11	O28	C15	H152	107.4°	91.5°
C12	O29	C15	O28	13.6°	27.2°
C12	O29	C15	H151	134.1°	145.7°
C12	O29	C15	H152	107.0°	91.4°
C13	N23	C22	C17	20.0°	85.0°
C13	N23	C22	C21	108.7°	155.0°
C13	N23	C22	H23	180.0°	180.0°
C13	N23	C22	H22	136.2°	35.0°
O26	C13	N23	C22	32.8°	0.0°
O26	C13	N23	H23	147.2°	180.0°
O25	C14	O27	H27	0.0°	0.1°
O28	C15	O29	H151	120.6°	118.5°
O28	C15	O29	H152	120.6°	118.5°
O28	C15	H151	H152	118.3°	122.8°
O29	C15	H151	H152	118.2°	122.9°
C16	C21	C22	C17	80.3°	175.0°
C16	C21	C22	H211	119.9°	120.0°
C16	C21	C22	H212	119.9°	120.0°
C16	C21	C22	N23	150.6°	65.0°
C21	C16	H161	H162	120.0°	119.9°
C21	C16	H161	H163	120.0°	120.0°
C21	C16	H162	H163	120.0°	120.0°
C16	C21	H211	H212	120.3°	120.0°
C16	C21	C22	H22	34.9°	55.0°
C17	C22	C21	N23	129.1°	120.0°
C17	C22	C21	H22	115.2°	120.0°
C17	C22	N23	H22	116.2°	120.0°
C17	C22	N23	H23	160.0°	95.1°
C17	C22	C21	H211	159.8°	65.0°
C17	C22	C21	H212	39.6°	55.0°
C22	C17	H171	H172	120.0°	120.0°
C22	C17	H171	H173	120.0°	120.0°
C22	C17	H172	H173	120.0°	120.0°
C18	N24	C19	C20	132.3°	120.0°
C18	N24	C19	H224	112.5°	120.0°
C18	N24	C20	H224	115.4°	120.0°
C18	N24	C19	H191	32.1°	55.1°
C18	N24	C19	H192	86.3°	175.0°
C18	N24	C20	H201	160.0°	175.9°
C18	N24	C20	H202	80.0°	55.9°
N24	C18	H181	H182	120.0°	120.1°
N24	C18	H181	H183	120.0°	120.0°
N24	C18	H182	H183	120.0°	120.0°
C19	N24	C20	H224	115.3°	120.0°
N24	C19	H191	H192	117.6°	119.9°
C19	N24	C20	H201	70.7°	56.0°
C19	N24	C20	H202	49.3°	64.0°
C19	N24	C18	H181	180.0°	179.8°
C19	N24	C18	H182	60.0°	60.2°
C19	N24	C18	H183	60.0°	59.8°
C20	N24	C19	H191	164.4°	64.9°
C20	N24	C19	H192	46.0°	55.0°
N24	C20	H201	H202	119.9°	120.0°
C20	N24	C18	H181	47.9°	59.8°
C20	N24	C18	H182	167.9°	179.8°
C20	N24	C18	H183	72.1°	60.2°
C21	C22	N23	H22	115.2°	120.0°
C21	C22	N23	H23	71.4°	25.0°
C22	C21	C16	H161	180.0°	60.0°
C22	C21	C16	H162	60.0°	60.0°
C22	C21	C16	H163	60.0°	180.0°
C22	C21	H211	H212	120.3°	120.0°
C21	C22	C17	H171	180.0°	180.0°
C21	C22	C17	H172	60.0°	60.0°
C21	C22	C17	H173	60.0°	60.0°
N23	C22	C21	H211	30.7°	55.0°
N23	C22	C21	H212	89.5°	175.0°
N23	C22	C17	H171	52.1°	60.0°
N23	C22	C17	H172	67.9°	60.0°
N23	C22	C17	H173	172.1°	180.0°
H1	C1	C2	H2	0.4°	0.1°
H1	C1	C3	H3	0.0°	0.2°
H2	C2	C4	H4	0.6°	0.1°
H5	C5	C6	H6	0.2°	0.3°
H191	C19	N24	H224	80.4°	175.0°
H192	C19	N24	H224	161.1°	65.0°
H201	C20	N24	H224	44.6°	64.0°
H202	C20	N24	H224	164.6°	176.0°
H23	N23	C22	H22	43.8°	145.0°
H161	C16	H162	H163	120.0°	120.1°
H161	C16	C21	H211	60.1°	60.0°
H161	C16	C21	H212	60.1°	180.0°
H162	C16	C21	H211	59.9°	180.0°
H162	C16	C21	H212	179.9°	60.0°
H163	C16	C21	H211	179.9°	60.0°
H163	C16	C21	H212	59.9°	60.0°
H211	C21	C22	H22	85.0°	175.0°
H212	C21	C22	H22	154.8°	65.0°
H171	C17	H172	H173	120.0°	120.0°
H171	C17	C22	H22	64.6°	60.0°
H172	C17	C22	H22	175.3°	NaN°
H173	C17	C22	H22	55.4°	60.0°
H181	C18	H182	H183	120.0°	119.9°
H181	C18	N24	H224	67.4°	60.2°
H182	C18	N24	H224	52.6°	59.8°
H183	C18	N24	H224	172.6°	179.8°

Definition date:	2011-07-01
Last modified:	2023-09-23
Release status:	REL
Processing site:	EBI
Derived from:	3ZSZ