Z6X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.52Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.50Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.51Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.51Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.51Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.53Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.51Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	C10	sing	1.53Å	1.51Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.53Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	C12	sing	1.51Å	1.50Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	C13	sing	1.51Å	1.52Å
C12	O1	doub	1.21Å	1.22Å
C13	C14	sing	1.51Å	1.53Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C14	O3	sing	1.34Å	1.32Å
C14	O2	doub	1.21Å	1.23Å
O3	H3O	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H13	109.5°	109.5°
C1	C2	C3	109.5°	109.5°
C1	C2	H21	109.5°	109.5°
C1	C2	H22	109.5°	109.4°
H11	C1	H12	109.4°	109.5°
H11	C1	H13	109.5°	109.4°
H12	C1	H13	109.5°	109.4°
C3	C2	H21	109.4°	109.5°
C3	C2	H22	109.4°	109.5°
C2	C3	C4	107.1°	109.5°
C2	C3	H31	110.1°	109.4°
C2	C3	H32	110.1°	109.4°
H21	C2	H22	109.5°	109.4°
C4	C3	H31	110.1°	109.5°
C4	C3	H32	110.1°	109.5°
C3	C4	C5	108.8°	109.5°
C3	C4	H41	109.6°	109.5°
C3	C4	H42	109.6°	109.6°
H31	C3	H32	109.5°	109.5°
C5	C4	H41	109.6°	109.4°
C5	C4	H42	109.6°	109.5°
C4	C5	C6	108.9°	109.5°
C4	C5	H51	109.6°	109.5°
C4	C5	H52	109.6°	109.5°
H41	C4	H42	109.5°	109.4°
C6	C5	H51	109.6°	109.5°
C6	C5	H52	109.6°	109.4°
C5	C6	C7	107.9°	109.5°
C5	C6	H61	109.9°	109.5°
C5	C6	H62	109.9°	109.5°
H51	C5	H52	109.5°	109.5°
C7	C6	H61	109.9°	109.4°
C7	C6	H62	109.9°	109.5°
C6	C7	C8	108.7°	109.5°
C6	C7	H71	109.7°	109.5°
C6	C7	H72	109.7°	109.5°
H61	C6	H62	109.4°	109.4°
C8	C7	H71	109.7°	109.4°
C8	C7	H72	109.7°	109.5°
C7	C8	C9	109.2°	109.5°
C7	C8	H81	109.5°	109.4°
C7	C8	H82	109.6°	109.5°
H71	C7	H72	109.5°	109.5°
C9	C8	H81	109.5°	109.5°
C9	C8	H82	109.5°	109.5°
C8	C9	C10	110.8°	109.5°
C8	C9	H91	109.1°	109.5°
C8	C9	H92	109.1°	109.5°
H81	C8	H82	109.5°	109.4°
C10	C9	H91	109.2°	109.5°
C10	C9	H92	109.2°	109.4°
C9	C10	C11	107.3°	109.5°
C9	C10	H101	110.0°	109.5°
C9	C10	H102	110.0°	109.4°
H91	C9	H92	109.5°	109.4°
C11	C10	H101	110.0°	109.5°
C11	C10	H102	110.0°	109.5°
C10	C11	C12	110.2°	109.5°
C10	C11	H111	109.3°	109.5°
C10	C11	H112	109.3°	109.5°
H101	C10	H102	109.5°	109.5°
C12	C11	H111	109.3°	109.4°
C12	C11	H112	109.3°	109.5°
C11	C12	C13	120.9°	120.0°
C11	C12	O1	119.0°	120.0°
H111	C11	H112	109.5°	109.4°
C13	C12	O1	120.1°	120.0°
C12	C13	C14	105.4°	109.5°
C12	C13	H131	110.5°	109.5°
C12	C13	H132	110.5°	109.5°
C14	C13	H131	110.5°	109.5°
C14	C13	H132	110.5°	109.5°
C13	C14	O3	113.7°	120.0°
C13	C14	O2	121.4°	120.0°
H131	C13	H132	109.5°	109.4°
O3	C14	O2	124.9°	120.0°
C14	O3	H3O	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	120.0°	120.1°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H12	H13	120.0°	120.0°
C1	C2	C3	H21	120.0°	120.0°
C1	C2	C3	H22	120.0°	120.0°
C1	C2	H21	H22	120.0°	119.9°
C1	C2	C3	C4	158.7°	180.0°
C1	C2	C3	H31	81.7°	60.0°
C1	C2	C3	H32	39.0°	60.0°
H11	C1	H12	H13	120.0°	119.9°
H11	C1	C2	C3	180.0°	60.0°
H11	C1	C2	H21	60.0°	60.0°
H11	C1	C2	H22	60.0°	179.9°
H12	C1	C2	C3	60.0°	60.0°
H12	C1	C2	H21	60.0°	179.9°
H12	C1	C2	H22	180.0°	60.0°
H13	C1	C2	C3	60.0°	180.0°
H13	C1	C2	H21	180.0°	60.0°
H13	C1	C2	H22	60.0°	60.0°
C3	C2	H21	H22	119.9°	120.0°
C2	C3	C4	H31	119.6°	119.9°
C2	C3	C4	H32	119.6°	120.0°
C2	C3	H31	H32	121.1°	119.9°
C2	C3	C4	C5	177.1°	180.0°
C2	C3	C4	H41	63.0°	60.0°
C2	C3	C4	H42	57.2°	59.9°
H21	C2	C3	C4	38.7°	60.0°
H21	C2	C3	H31	158.3°	180.0°
H21	C2	C3	H32	81.0°	60.1°
H22	C2	C3	C4	81.3°	60.0°
H22	C2	C3	H31	38.3°	60.0°
H22	C2	C3	H32	159.1°	180.0°
C4	C3	H31	H32	121.1°	120.1°
C3	C4	C5	H41	119.9°	120.0°
C3	C4	C5	H42	119.9°	120.1°
C3	C4	H41	H42	120.3°	120.1°
C3	C4	C5	C6	155.2°	180.0°
C3	C4	C5	H51	35.3°	60.1°
C3	C4	C5	H52	84.9°	60.0°
H31	C3	C4	C5	57.5°	60.1°
H31	C3	C4	H41	177.4°	180.0°
H31	C3	C4	H42	62.4°	60.0°
H32	C3	C4	C5	63.3°	60.0°
H32	C3	C4	H41	56.7°	60.0°
H32	C3	C4	H42	176.8°	180.0°
C5	C4	H41	H42	120.3°	119.9°
C4	C5	C6	H51	119.9°	120.0°
C4	C5	C6	H52	119.9°	120.0°
C4	C5	H51	H52	120.3°	120.0°
C4	C5	C6	C7	160.8°	180.0°
C4	C5	C6	H61	41.0°	60.0°
C4	C5	C6	H62	79.4°	60.0°
H41	C4	C5	C6	84.9°	60.0°
H41	C4	C5	H51	155.2°	180.0°
H41	C4	C5	H52	35.0°	60.0°
H42	C4	C5	C6	35.3°	59.9°
H42	C4	C5	H51	84.6°	60.1°
H42	C4	C5	H52	155.2°	179.9°
C6	C5	H51	H52	120.3°	120.0°
C5	C6	C7	H61	119.8°	120.1°
C5	C6	C7	H62	119.8°	120.0°
C5	C6	H61	H62	120.7°	120.0°
C5	C6	C7	C8	173.3°	180.0°
C5	C6	C7	H71	66.9°	60.0°
C5	C6	C7	H72	53.4°	60.0°
H51	C5	C6	C7	79.3°	60.0°
H51	C5	C6	H61	160.9°	180.0°
H51	C5	C6	H62	40.5°	60.0°
H52	C5	C6	C7	40.9°	60.0°
H52	C5	C6	H61	78.9°	60.0°
H52	C5	C6	H62	160.7°	180.0°
C7	C6	H61	H62	120.7°	119.9°
C6	C7	C8	H71	119.8°	120.0°
C6	C7	C8	H72	119.9°	120.0°
C6	C7	H71	H72	120.4°	120.0°
C6	C7	C8	C9	166.3°	180.0°
C6	C7	C8	H81	73.7°	60.0°
C6	C7	C8	H82	46.4°	59.9°
H61	C6	C7	C8	53.5°	60.0°
H61	C6	C7	H71	173.4°	179.9°
H61	C6	C7	H72	66.4°	60.1°
H62	C6	C7	C8	67.0°	59.9°
H62	C6	C7	H71	52.9°	60.0°
H62	C6	C7	H72	173.2°	180.0°
C8	C7	H71	H72	120.4°	120.0°
C7	C8	C9	H81	120.0°	120.0°
C7	C8	C9	H82	120.0°	120.1°
C7	C8	H81	H82	120.2°	120.0°
C7	C8	C9	C10	176.8°	180.0°
C7	C8	C9	H91	56.6°	60.0°
C7	C8	C9	H92	63.0°	60.0°
H71	C7	C8	C9	46.5°	60.0°
H71	C7	C8	H81	166.5°	NaN°
H71	C7	C8	H82	73.4°	60.1°
H72	C7	C8	C9	73.8°	60.0°
H72	C7	C8	H81	46.2°	60.0°
H72	C7	C8	H82	166.3°	180.0°
C9	C8	H81	H82	120.1°	120.0°
C8	C9	C10	H91	120.2°	120.0°
C8	C9	C10	H92	120.2°	120.0°
C8	C9	H91	H92	119.4°	120.0°
C8	C9	C10	C11	173.1°	180.0°
C8	C9	C10	H101	53.4°	60.0°
C8	C9	C10	H102	67.2°	60.0°
H81	C8	C9	C10	63.3°	60.0°
H81	C8	C9	H91	176.5°	180.0°
H81	C8	C9	H92	56.9°	60.0°
H82	C8	C9	C10	56.8°	60.0°
H82	C8	C9	H91	63.4°	60.1°
H82	C8	C9	H92	177.0°	180.0°
C10	C9	H91	H92	119.4°	119.9°
C9	C10	C11	H101	119.6°	120.0°
C9	C10	C11	H102	119.7°	120.0°
C9	C10	H101	H102	121.0°	120.0°
C9	C10	C11	C12	172.4°	180.0°
C9	C10	C11	H111	67.5°	60.0°
C9	C10	C11	H112	52.3°	60.0°
H91	C9	C10	C11	66.7°	60.0°
H91	C9	C10	H101	173.6°	180.0°
H91	C9	C10	H102	53.0°	60.0°
H92	C9	C10	C11	52.9°	60.0°
H92	C9	C10	H101	66.7°	60.0°
H92	C9	C10	H102	172.6°	180.0°
C11	C10	H101	H102	121.0°	120.0°
C10	C11	C12	H111	120.1°	120.0°
C10	C11	C12	H112	120.1°	120.1°
C10	C11	H111	H112	119.6°	120.0°
C10	C11	C12	C13	136.6°	180.0°
C10	C11	C12	O1	44.0°	0.1°
H101	C10	C11	C12	52.8°	60.1°
H101	C10	C11	H111	172.9°	180.0°
H101	C10	C11	H112	67.3°	60.0°
H102	C10	C11	C12	67.9°	60.0°
H102	C10	C11	H111	52.2°	60.0°
H102	C10	C11	H112	172.0°	179.9°
C12	C11	H111	H112	119.7°	120.0°
C11	C12	C13	O1	179.4°	179.9°
C11	C12	C13	C14	152.0°	179.9°
C11	C12	C13	H131	88.7°	60.0°
C11	C12	C13	H132	32.6°	60.0°
H111	C11	C12	C13	16.5°	60.0°
H111	C11	C12	O1	164.1°	120.0°
H112	C11	C12	C13	103.3°	59.9°
H112	C11	C12	O1	76.1°	120.0°
C12	C13	C14	H131	119.4°	120.0°
C12	C13	C14	H132	119.3°	120.0°
C12	C13	H131	H132	121.9°	120.0°
C12	C13	C14	O3	68.5°	180.0°
C12	C13	C14	O2	109.7°	0.1°
O1	C12	C13	C14	27.4°	0.0°
O1	C12	C13	H131	92.0°	120.1°
O1	C12	C13	H132	146.7°	120.0°
C14	C13	H131	H132	121.9°	120.0°
C13	C14	O3	O2	178.2°	179.9°
C13	C14	O3	H3O	178.2°	180.0°
H131	C13	C14	O3	172.1°	59.9°
H131	C13	C14	O2	9.7°	120.0°
H132	C13	C14	O3	50.8°	60.0°
H132	C13	C14	O2	131.0°	120.1°
O2	C14	O3	H3O	0.0°	0.0°

Release date:	2016-02-10
Definition date:	2012-12-17
Last modified:	2016-02-05
Release status:	REL
Processing site:	RCSB
Derived from:	2Z65