12H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.51Å
C1	O13	sing	1.43Å	1.40Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.53Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.53Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C6	C7	sing	1.53Å	1.52Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.52Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	C9	sing	1.53Å	1.53Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C9	C10	sing	1.53Å	1.51Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.11Å
C10	C11	sing	1.53Å	1.52Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.12Å
C11	C12	sing	1.51Å	1.52Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.12Å
C12	O14	doub	1.21Å	1.34Å
C12	O15	sing	1.34Å	1.36Å
O13	H13	sing	0.97Å	0.95Å
O15	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O13	110.4°	109.6°
C2	C1	H11	111.9°	109.5°
C2	C1	H12	111.8°	109.5°
C1	C2	C3	111.7°	109.6°
C1	C2	H21	111.4°	109.4°
C1	C2	H22	111.4°	109.4°
O13	C1	H11	111.8°	109.4°
O13	C1	H12	111.9°	109.4°
C1	O13	H13	110.4°	106.9°
H11	C1	H12	98.6°	109.4°
C3	C2	H21	111.3°	109.5°
C3	C2	H22	111.4°	109.5°
C2	C3	C4	113.5°	109.6°
C2	C3	H31	110.8°	109.5°
C2	C3	H32	110.8°	109.5°
H21	C2	H22	99.0°	109.5°
C4	C3	H31	110.8°	109.4°
C4	C3	H32	110.8°	109.4°
C3	C4	C5	111.6°	109.6°
C3	C4	H41	111.4°	109.4°
C3	C4	H42	111.4°	109.4°
H31	C3	H32	99.5°	109.5°
C5	C4	H41	111.4°	109.5°
C5	C4	H42	111.4°	109.5°
C4	C5	C6	111.4°	109.5°
C4	C5	H51	111.5°	109.5°
C4	C5	H52	111.5°	109.5°
H41	C4	H42	99.0°	109.4°
C6	C5	H51	111.5°	109.4°
C6	C5	H52	111.5°	109.4°
C5	C6	C7	111.6°	109.5°
C5	C6	H61	111.4°	109.5°
C5	C6	H62	111.4°	109.5°
H51	C5	H52	98.9°	109.5°
C7	C6	H61	111.4°	109.4°
C7	C6	H62	111.4°	109.4°
C6	C7	C8	113.2°	109.5°
C6	C7	H71	110.8°	109.5°
C6	C7	H72	110.8°	109.5°
H61	C6	H62	98.9°	109.5°
C8	C7	H71	110.8°	109.4°
C8	C7	H72	110.8°	109.4°
C7	C8	C9	112.8°	109.5°
C7	C8	H81	111.0°	109.5°
C7	C8	H82	111.0°	109.5°
H71	C7	H72	99.5°	109.5°
C9	C8	H81	111.0°	109.4°
C9	C8	H82	111.0°	109.4°
C8	C9	C10	107.8°	109.5°
C8	C9	H91	112.8°	109.4°
C8	C9	H92	112.8°	109.4°
H81	C8	H82	99.3°	109.5°
C10	C9	H91	112.8°	109.5°
C10	C9	H92	112.9°	109.5°
C9	C10	C11	119.3°	109.5°
C9	C10	H101	108.7°	109.4°
C9	C10	H102	108.7°	109.4°
H91	C9	H92	97.6°	109.5°
C11	C10	H101	108.7°	109.5°
C11	C10	H102	108.7°	109.5°
C10	C11	C12	108.2°	109.5°
C10	C11	H111	112.6°	109.5°
C10	C11	H112	112.6°	109.5°
H101	C10	H102	101.3°	109.5°
C12	C11	H111	112.7°	109.4°
C12	C11	H112	112.7°	109.4°
C11	C12	O14	110.4°	119.9°
C11	C12	O15	125.2°	120.1°
H111	C11	H112	97.8°	109.5°
O14	C12	O15	124.4°	120.0°
C12	O15	H15	125.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O13	H11	125.3°	120.1°
C2	C1	O13	H12	125.2°	120.1°
C2	C1	H11	H12	117.7°	120.0°
C1	C2	C3	H21	125.2°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	117.3°	119.9°
C1	C2	C3	C4	91.1°	180.0°
C1	C2	C3	H31	34.3°	60.0°
C1	C2	C3	H32	143.6°	60.0°
C2	C1	O13	H13	180.0°	180.0°
O13	C1	H11	H12	117.8°	119.9°
O13	C1	C2	C3	55.8°	180.0°
O13	C1	C2	H21	69.4°	60.0°
O13	C1	C2	H22	178.9°	60.0°
H11	C1	C2	C3	69.4°	60.0°
H11	C1	C2	H21	165.3°	180.0°
H11	C1	C2	H22	55.8°	60.0°
H11	C1	O13	H13	54.7°	59.9°
H12	C1	C2	C3	178.9°	60.0°
H12	C1	C2	H21	55.9°	60.0°
H12	C1	C2	H22	53.7°	180.0°
H12	C1	O13	H13	54.8°	59.9°
C3	C2	H21	H22	117.3°	120.0°
C2	C3	C4	H31	125.3°	120.0°
C2	C3	C4	H32	125.3°	120.0°
C2	C3	H31	H32	116.6°	120.0°
C2	C3	C4	C5	61.6°	180.0°
C2	C3	C4	H41	63.7°	59.9°
C2	C3	C4	H42	173.2°	59.9°
H21	C2	C3	C4	143.7°	60.0°
H21	C2	C3	H31	91.0°	180.0°
H21	C2	C3	H32	18.4°	60.0°
H22	C2	C3	C4	34.2°	60.0°
H22	C2	C3	H31	159.5°	60.0°
H22	C2	C3	H32	91.1°	180.0°
C4	C3	H31	H32	116.6°	119.9°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.2°	120.0°
C3	C4	H41	H42	117.3°	119.9°
C3	C4	C5	C6	138.4°	180.0°
C3	C4	C5	H51	96.3°	60.0°
C3	C4	C5	H52	13.1°	60.0°
H31	C3	C4	C5	173.1°	60.0°
H31	C3	C4	H41	61.6°	180.0°
H31	C3	C4	H42	47.9°	60.1°
H32	C3	C4	C5	63.7°	60.0°
H32	C3	C4	H41	171.0°	60.1°
H32	C3	C4	H42	61.5°	180.0°
C5	C4	H41	H42	117.3°	120.0°
C4	C5	C6	H51	125.2°	120.0°
C4	C5	C6	H52	125.2°	120.0°
C4	C5	H51	H52	117.4°	120.0°
C4	C5	C6	C7	135.8°	180.0°
C4	C5	C6	H61	98.9°	60.0°
C4	C5	C6	H62	10.5°	60.0°
H41	C4	C5	C6	13.1°	60.0°
H41	C4	C5	H51	138.4°	180.0°
H41	C4	C5	H52	112.2°	60.0°
H42	C4	C5	C6	96.4°	60.0°
H42	C4	C5	H51	28.9°	60.0°
H42	C4	C5	H52	138.3°	180.0°
C6	C5	H51	H52	117.4°	120.0°
C5	C6	C7	H61	125.3°	120.0°
C5	C6	C7	H62	125.2°	120.0°
C5	C6	H61	H62	117.3°	120.0°
C5	C6	C7	C8	93.7°	180.0°
C5	C6	C7	H71	31.5°	60.0°
C5	C6	C7	H72	141.0°	60.0°
H51	C5	C6	C7	10.6°	60.0°
H51	C5	C6	H61	135.9°	180.0°
H51	C5	C6	H62	114.7°	60.0°
H52	C5	C6	C7	99.0°	60.0°
H52	C5	C6	H61	26.3°	60.0°
H52	C5	C6	H62	135.8°	180.0°
C7	C6	H61	H62	117.4°	119.9°
C6	C7	C8	H71	125.2°	120.0°
C6	C7	C8	H72	125.3°	120.0°
C6	C7	H71	H72	116.7°	120.0°
C6	C7	C8	C9	136.4°	180.0°
C6	C7	C8	H81	11.1°	60.0°
C6	C7	C8	H82	98.3°	60.0°
H61	C6	C7	C8	141.0°	60.0°
H61	C6	C7	H71	93.7°	180.0°
H61	C6	C7	H72	15.8°	60.0°
H62	C6	C7	C8	31.5°	60.0°
H62	C6	C7	H71	156.8°	60.0°
H62	C6	C7	H72	93.7°	180.0°
C8	C7	H71	H72	116.7°	120.0°
C7	C8	C9	H81	125.3°	120.0°
C7	C8	C9	H82	125.3°	120.0°
C7	C8	H81	H82	116.8°	120.0°
C7	C8	C9	C10	121.1°	180.0°
C7	C8	C9	H91	113.7°	60.0°
C7	C8	C9	H92	4.2°	60.0°
H71	C7	C8	C9	98.4°	60.0°
H71	C7	C8	H81	136.3°	180.0°
H71	C7	C8	H82	26.9°	60.0°
H72	C7	C8	C9	11.1°	60.0°
H72	C7	C8	H81	114.2°	60.0°
H72	C7	C8	H82	136.4°	180.0°
C9	C8	H81	H82	116.9°	119.9°
C8	C9	C10	H91	125.2°	120.0°
C8	C9	C10	H92	125.3°	120.0°
C8	C9	H91	H92	118.7°	119.9°
C8	C9	C10	C11	166.8°	180.0°
C8	C9	C10	H101	41.5°	60.0°
C8	C9	C10	H102	67.9°	60.0°
H81	C8	C9	C10	4.2°	60.0°
H81	C8	C9	H91	121.1°	180.0°
H81	C8	C9	H92	129.5°	60.0°
H82	C8	C9	C10	113.6°	60.0°
H82	C8	C9	H91	11.6°	60.0°
H82	C8	C9	H92	121.1°	180.0°
C10	C9	H91	H92	118.8°	120.0°
C9	C10	C11	H101	125.3°	120.0°
C9	C10	C11	H102	125.3°	120.0°
C9	C10	H101	H102	114.4°	120.0°
C9	C10	C11	C12	95.9°	180.0°
C9	C10	C11	H111	29.3°	60.0°
C9	C10	C11	H112	138.9°	60.0°
H91	C9	C10	C11	67.9°	60.0°
H91	C9	C10	H101	166.7°	180.0°
H91	C9	C10	H102	57.3°	60.0°
H92	C9	C10	C11	41.6°	60.0°
H92	C9	C10	H101	83.8°	60.0°
H92	C9	C10	H102	166.8°	180.0°
C11	C10	H101	H102	114.4°	120.0°
C10	C11	C12	H111	125.2°	120.0°
C10	C11	C12	H112	125.2°	120.0°
C10	C11	H111	H112	118.6°	120.0°
C10	C11	C12	O14	177.1°	0.0°
C10	C11	C12	O15	2.1°	180.0°
H101	C10	C11	C12	138.8°	60.0°
H101	C10	C11	H111	96.0°	NaN°
H101	C10	C11	H112	13.6°	60.0°
H102	C10	C11	C12	29.4°	60.0°
H102	C10	C11	H111	154.6°	60.0°
H102	C10	C11	H112	95.8°	NaN°
C12	C11	H111	H112	118.6°	119.9°
C11	C12	O14	O15	179.2°	180.0°
C11	C12	O15	H15	180.0°	180.0°
H111	C11	C12	O14	57.7°	120.0°
H111	C11	C12	O15	123.1°	60.0°
H112	C11	C12	O14	51.9°	120.0°
H112	C11	C12	O15	127.3°	60.0°
O14	C12	O15	H15	0.9°	0.0°

Definition date:	2002-07-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1M6W