MH9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.22Å	1.26Å
C	C1	sing	1.42Å	1.48Å
C1	C2	doub	1.35Å	1.37Å
C2	C3	sing	1.46Å	1.47Å
C3	C4	doub	1.33Å	1.36Å
C4	C5	sing	1.51Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.56Å
C7	C8	sing	1.53Å	1.55Å
C8	C9	sing	1.53Å	1.57Å
C9	C10	sing	1.53Å	1.58Å
C10	C11	sing	1.53Å	1.60Å
C	OXT	sing	1.35Å	1.38Å
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	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H113	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	116.8°	120.0°
O	C	OXT	121.6°	120.0°
C	C1	C2	124.2°	120.0°
C1	C	OXT	121.6°	120.0°
C	C1	H1	117.9°	120.0°
C1	C2	C3	118.6°	120.1°
C2	C1	H1	117.9°	120.0°
C1	C2	H2	120.7°	120.0°
C2	C3	C4	127.4°	120.0°
C3	C2	H2	120.7°	120.0°
C2	C3	H3	116.3°	120.0°
C3	C4	C5	117.6°	120.0°
C4	C3	H3	116.3°	120.0°
C3	C4	H4	121.2°	120.0°
C4	C5	C6	115.8°	109.4°
C5	C4	H4	121.2°	120.0°
C4	C5	H51	107.4°	109.5°
C4	C5	H52	107.4°	109.5°
C5	C6	C7	111.2°	109.4°
C6	C5	H51	107.4°	109.5°
C6	C5	H52	107.4°	109.5°
C5	C6	H61	108.9°	109.4°
C5	C6	H62	108.9°	109.5°
C6	C7	C8	116.1°	109.5°
C7	C6	H61	108.9°	109.5°
C7	C6	H62	108.9°	109.5°
C6	C7	H71	107.3°	109.5°
C6	C7	H72	107.3°	109.5°
C7	C8	C9	106.0°	109.5°
C8	C7	H71	107.3°	109.5°
C8	C7	H72	107.3°	109.4°
C7	C8	H81	110.6°	109.5°
C7	C8	H82	110.7°	109.4°
C8	C9	C10	111.9°	109.4°
C9	C8	H81	110.7°	109.5°
C9	C8	H82	110.7°	109.5°
C8	C9	H91	108.7°	109.5°
C8	C9	H92	108.7°	109.4°
C9	C10	C11	107.8°	109.4°
C10	C9	H91	108.6°	109.5°
C10	C9	H92	108.7°	109.5°
C9	C10	H101	110.0°	109.5°
C9	C10	H102	110.0°	109.5°
C11	C10	H101	110.0°	109.4°
C11	C10	H102	110.0°	109.5°
C10	C11	H111	109.5°	109.4°
C10	C11	H112	109.5°	109.5°
C10	C11	H113	109.4°	109.5°
C	OXT	HXT	109.5°	114.0°
H51	C5	H52	111.5°	109.5°
H61	C6	H62	110.0°	109.5°
H71	C7	H72	111.5°	109.4°
H81	C8	H82	108.2°	109.4°
H91	C9	H92	110.3°	109.5°
H101	C10	H102	108.9°	109.5°
H111	C11	H112	109.5°	109.4°
H111	C11	H113	109.5°	109.5°
H112	C11	H113	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	OXT	178.8°	179.8°
O	C	C1	C2	0.0°	0.0°
O	C	C1	H1	180.0°	180.0°
O	C	OXT	HXT	0.0°	0.0°
C	C1	C2	H1	180.0°	180.0°
C	C1	C2	C3	178.3°	180.0°
C	C1	C2	H2	1.7°	0.1°
C1	C	OXT	HXT	178.7°	179.8°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	178.9°	180.0°
C2	C1	C	OXT	178.8°	179.8°
C1	C2	C3	H3	1.2°	0.1°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	177.8°	180.0°
C3	C2	C1	H1	1.7°	0.0°
C2	C3	C4	H4	2.2°	0.1°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	163.2°	125.0°
C4	C3	C2	H2	1.1°	0.1°
C3	C4	C5	H51	76.8°	115.0°
C3	C4	C5	H52	43.2°	5.1°
C4	C5	C6	H51	120.0°	120.0°
C4	C5	C6	H52	120.0°	120.0°
C4	C5	C6	C7	113.2°	180.0°
C5	C4	C3	H3	2.2°	0.1°
C4	C5	H51	H52	117.4°	120.0°
C4	C5	C6	H61	126.8°	60.0°
C4	C5	C6	H62	6.8°	60.0°
C5	C6	C7	H61	120.0°	120.0°
C5	C6	C7	H62	120.0°	120.0°
C5	C6	C7	C8	179.9°	180.0°
C6	C5	C4	H4	16.8°	55.1°
C6	C5	H51	H52	117.4°	120.0°
C5	C6	H61	H62	119.3°	120.0°
C5	C6	C7	H71	60.1°	60.0°
C5	C6	C7	H72	59.8°	60.0°
C6	C7	C8	H71	120.0°	120.1°
C6	C7	C8	H72	120.0°	120.0°
C6	C7	C8	C9	179.7°	180.0°
C7	C6	C5	H51	6.8°	60.0°
C7	C6	C5	H52	126.8°	60.1°
C7	C6	H61	H62	119.3°	120.1°
C6	C7	H71	H72	117.2°	120.0°
C6	C7	C8	H81	60.2°	59.9°
C6	C7	C8	H82	59.7°	60.0°
C7	C8	C9	H81	120.0°	120.1°
C7	C8	C9	H82	120.0°	119.9°
C7	C8	C9	C10	178.7°	180.0°
C8	C7	C6	H61	59.8°	60.0°
C8	C7	C6	H62	60.1°	60.1°
C8	C7	H71	H72	117.3°	119.9°
C7	C8	H81	H82	121.4°	119.9°
C7	C8	C9	H91	61.3°	60.0°
C7	C8	C9	H92	58.7°	60.1°
C8	C9	C10	H91	120.0°	120.0°
C8	C9	C10	H92	120.0°	119.9°
C8	C9	C10	C11	179.5°	179.9°
C9	C8	C7	H71	59.7°	59.9°
C9	C8	C7	H72	60.3°	60.0°
C9	C8	H81	H82	121.4°	120.0°
C8	C9	H91	H92	119.0°	120.0°
C8	C9	C10	H101	59.5°	60.0°
C8	C9	C10	H102	60.5°	60.1°
C9	C10	C11	H101	120.0°	120.0°
C9	C10	C11	H102	120.0°	120.0°
C10	C9	C8	H81	58.7°	60.0°
C10	C9	C8	H82	61.3°	60.0°
C10	C9	H91	H92	119.0°	120.1°
C9	C10	H101	H102	120.7°	120.1°
C9	C10	C11	H111	180.0°	60.0°
C9	C10	C11	H112	60.0°	59.9°
C9	C10	C11	H113	60.0°	180.0°
C11	C10	C9	H91	60.5°	60.0°
C11	C10	C9	H92	59.5°	60.0°
C11	C10	H101	H102	120.7°	120.0°
C10	C11	H111	H112	120.0°	120.0°
C10	C11	H111	H113	120.0°	120.0°
C10	C11	H112	H113	119.9°	120.1°
OXT	C	C1	H1	1.2°	0.2°
H1	C1	C2	H2	178.3°	179.9°
H2	C2	C3	H3	178.9°	180.0°
H3	C3	C4	H4	177.8°	180.0°
H4	C4	C5	H51	103.2°	64.9°
H4	C4	C5	H52	136.8°	175.0°
H51	C5	C6	H61	113.2°	180.0°
H51	C5	C6	H62	126.8°	60.0°
H52	C5	C6	H61	6.8°	60.0°
H52	C5	C6	H62	113.1°	180.0°
H61	C6	C7	H71	179.9°	179.9°
H61	C6	C7	H72	60.2°	59.9°
H62	C6	C7	H71	59.9°	60.0°
H62	C6	C7	H72	179.8°	180.0°
H71	C7	C8	H81	179.7°	180.0°
H71	C7	C8	H82	60.3°	60.0°
H72	C7	C8	H81	59.8°	60.0°
H72	C7	C8	H82	179.7°	180.0°
H81	C8	C9	H91	178.7°	180.0°
H81	C8	C9	H92	61.3°	60.0°
H82	C8	C9	H91	58.7°	60.0°
H82	C8	C9	H92	178.7°	180.0°
H91	C9	C10	H101	179.5°	180.0°
H91	C9	C10	H102	59.5°	59.9°
H92	C9	C10	H101	60.5°	59.9°
H92	C9	C10	H102	179.5°	180.0°
H101	C10	C11	H111	60.0°	180.0°
H101	C10	C11	H112	180.0°	60.0°
H101	C10	C11	H113	60.0°	60.0°
H102	C10	C11	H111	60.0°	60.0°
H102	C10	C11	H112	60.0°	179.9°
H102	C10	C11	H113	180.0°	60.0°
H111	C11	H112	H113	120.0°	120.0°

Release date:	2012-08-24
Definition date:	2011-03-28
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	3BDM