Obsolete: UIC

UIC was replaced with GRL on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.55Å	1.55Å
C11	C16	sing	1.54Å	1.54Å
C11	O13	sing	1.45Å	1.43Å
C11	H11	sing	1.09Å	1.10Å
C12	C15	sing	1.55Å	1.53Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
O1	C14	sing	1.44Å	1.44Å
O1	C1	sing	1.46Å	1.46Å
C14	C2	sing	1.54Å	1.53Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C15	C2	sing	1.54Å	1.53Å
C15	C1	sing	1.55Å	1.51Å
C15	H15	sing	1.09Å	1.10Å
C16	C1	sing	1.54Å	1.54Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å
C2	H22A	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O13	C21	sing	1.35Å	1.44Å
C21	O21	doub	1.21Å	1.33Å
C21	N21	sing	1.35Å	1.49Å
C22	C23	sing	1.53Å	1.56Å
C22	N21	sing	1.46Å	1.48Å
C22	C31	sing	1.53Å	1.55Å
C22	H22	sing	1.09Å	1.10Å
C23	C24	sing	1.51Å	1.51Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	C25	sing	1.38Å	1.44Å	Aromatic
C24	C29	doub	1.38Å	1.44Å	Aromatic
C25	C26	doub	1.38Å	1.43Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C26	C27	sing	1.38Å	1.43Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C27	C28	doub	1.38Å	1.44Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C28	C29	sing	1.38Å	1.43Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å
N21	HN21	sing	0.97Å	1.00Å
C31	C32	sing	1.53Å	1.55Å
C31	O31	sing	1.43Å	1.43Å
C31	H31	sing	1.09Å	1.10Å
C32	N31	sing	1.47Å	1.49Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C33	C34	sing	1.53Å	1.53Å
C33	N31	sing	1.46Å	1.52Å
C33	H331	sing	1.09Å	1.10Å
C33	H332	sing	1.09Å	1.10Å
C34	C35	sing	1.53Å	1.53Å
C34	C36	sing	1.53Å	1.51Å
C34	H34	sing	1.09Å	1.10Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.09Å	1.10Å
C35	H353	sing	1.09Å	1.10Å
C36	H361	sing	1.09Å	1.10Å
C36	H362	sing	1.09Å	1.10Å
C36	H363	sing	1.09Å	1.10Å
O31	HO31	sing	0.97Å	0.95Å
O32	S31	doub	1.42Å	1.44Å
O33	S31	doub	1.42Å	1.45Å
N31	S31	sing	1.66Å	1.77Å
S31	C41	sing	1.76Å	1.77Å
C41	C42	doub	1.38Å	1.44Å	Aromatic
C41	C46	sing	1.38Å	1.42Å	Aromatic
C42	C43	sing	1.38Å	1.42Å	Aromatic
C42	H42	sing	1.08Å	1.08Å
C43	C44	doub	1.38Å	1.44Å	Aromatic
C43	H43	sing	1.08Å	1.08Å
C44	C45	sing	1.38Å	1.44Å	Aromatic
C44	C3	sing	1.51Å	1.53Å
C45	C46	doub	1.38Å	1.43Å	Aromatic
C45	H45	sing	1.08Å	1.08Å
C46	H46	sing	1.08Å	1.08Å
C3	O2	sing	1.43Å	1.44Å
C3	H31A	sing	1.09Å	1.10Å
C3	H32	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)
C12	C11	C16	102.5°	104.3°
C12	C11	O13	111.4°	110.5°
C12	C11	H11	111.9°	110.5°
C11	C12	C15	105.0°	102.9°
C11	C12	H121	111.9°	110.7°
C11	C12	H122	111.0°	110.7°
C16	C11	O13	106.8°	110.5°
C16	C11	H11	116.2°	110.5°
C11	C16	C1	105.8°	106.7°
C11	C16	H161	111.5°	110.8°
C11	C16	H162	110.7°	109.3°
O13	C11	H11	108.0°	110.4°
C11	O13	C21	121.6°	120.0°
C15	C12	H121	112.0°	110.7°
C15	C12	H122	111.0°	110.7°
C12	C15	C2	114.1°	108.8°
C12	C15	C1	108.0°	104.1°
C12	C15	H15	106.6°	112.8°
H121	C12	H122	106.1°	110.8°
C14	O1	C1	106.7°	105.9°
O1	C14	C2	106.8°	104.8°
O1	C14	H141	110.9°	110.4°
O1	C14	H142	110.4°	110.4°
O1	C1	C15	106.7°	104.0°
O1	C1	C16	114.5°	109.3°
O1	C1	H1	106.9°	111.9°
C2	C14	H141	111.0°	110.4°
C2	C14	H142	110.4°	110.4°
C14	C2	C15	101.3°	104.2°
C14	C2	H21	114.0°	110.5°
C14	C2	H22A	112.3°	110.5°
H141	C14	H142	107.5°	110.4°
C2	C15	C1	107.0°	104.8°
C2	C15	H15	107.6°	112.8°
C15	C2	H21	114.0°	110.5°
C15	C2	H22A	112.3°	110.5°
C1	C15	H15	113.8°	112.9°
C15	C1	C16	106.0°	106.4°
C15	C1	H1	115.3°	112.5°
C1	C16	H161	111.5°	110.0°
C1	C16	H162	110.7°	110.0°
C16	C1	H1	107.7°	112.4°
H161	C16	H162	106.6°	110.0°
H21	C2	H22A	103.4°	110.6°
O13	C21	O21	112.1°	120.0°
O13	C21	N21	105.3°	120.0°
O21	C21	N21	112.5°	120.0°
C21	N21	C22	114.1°	120.0°
C21	N21	HN21	122.9°	120.0°
C23	C22	N21	108.5°	109.5°
C23	C22	C31	111.2°	109.5°
C23	C22	H22	109.0°	109.4°
C22	C23	C24	109.8°	109.5°
C22	C23	H231	109.3°	109.5°
C22	C23	H232	109.4°	109.5°
N21	C22	C31	109.4°	109.5°
N21	C22	H22	110.7°	109.5°
C22	N21	HN21	123.0°	120.0°
C31	C22	H22	108.1°	109.5°
C22	C31	C32	112.3°	109.5°
C22	C31	O31	107.2°	109.5°
C22	C31	H31	109.9°	109.4°
C24	C23	H231	109.3°	109.5°
C24	C23	H232	109.4°	109.5°
C23	C24	C25	119.5°	120.0°
C23	C24	C29	118.5°	120.0°
H231	C23	H232	109.7°	109.4°
C25	C24	C29	122.0°	120.0°
C24	C25	C26	119.0°	120.0°
C24	C25	H25	120.5°	120.0°
C24	C29	C28	118.8°	119.9°
C24	C29	H29	120.6°	120.0°
C26	C25	H25	120.5°	120.0°
C25	C26	C27	119.3°	120.0°
C25	C26	H26	120.3°	120.1°
C27	C26	H26	120.3°	120.0°
C26	C27	C28	121.3°	120.0°
C26	C27	H27	119.3°	120.0°
C28	C27	H27	119.3°	120.0°
C27	C28	C29	119.5°	120.1°
C27	C28	H28	120.2°	120.0°
C29	C28	H28	120.2°	119.9°
C28	C29	H29	120.6°	120.0°
C32	C31	O31	111.5°	109.5°
C32	C31	H31	105.3°	109.5°
C31	C32	N31	107.6°	109.5°
C31	C32	H321	110.5°	109.5°
C31	C32	H322	110.1°	109.5°
O31	C31	H31	110.7°	109.5°
C31	O31	HO31	109.5°	106.8°
N31	C32	H321	110.6°	109.5°
N31	C32	H322	110.1°	109.5°
C32	N31	C33	114.1°	120.0°
C32	N31	S31	124.5°	120.0°
H321	C32	H322	108.0°	109.5°
C34	C33	N31	115.5°	109.5°
C34	C33	H331	106.1°	109.5°
C34	C33	H332	107.5°	109.5°
C33	C34	C35	113.2°	109.5°
C33	C34	C36	109.3°	109.5°
C33	C34	H34	107.0°	109.5°
N31	C33	H331	106.1°	109.5°
N31	C33	H332	107.5°	109.5°
C33	N31	S31	120.2°	120.0°
H331	C33	H332	114.3°	109.5°
C35	C34	C36	109.2°	109.5°
C35	C34	H34	107.0°	109.5°
C34	C35	H351	109.5°	109.5°
C34	C35	H352	109.5°	109.5°
C34	C35	H353	109.5°	109.5°
C36	C34	H34	111.2°	109.5°
C34	C36	H361	109.4°	109.5°
C34	C36	H362	109.5°	109.5°
C34	C36	H363	109.5°	109.5°
H351	C35	H352	109.5°	109.5°
H351	C35	H353	109.5°	109.5°
H352	C35	H353	109.4°	109.4°
H361	C36	H362	109.5°	109.4°
H361	C36	H363	109.4°	109.5°
H362	C36	H363	109.5°	109.4°
O32	S31	O33	119.9°	125.3°
O32	S31	N31	110.1°	105.8°
O32	S31	C41	105.7°	105.7°
O33	S31	N31	105.3°	105.8°
O33	S31	C41	104.3°	105.8°
N31	S31	C41	111.4°	107.4°
S31	C41	C42	117.6°	120.0°
S31	C41	C46	119.6°	120.0°
C42	C41	C46	122.8°	120.0°
C41	C42	C43	118.9°	120.0°
C41	C42	H42	120.5°	120.0°
C41	C46	C45	118.0°	120.0°
C41	C46	H46	121.0°	120.0°
C43	C42	H42	120.5°	120.0°
C42	C43	C44	119.1°	120.0°
C42	C43	H43	120.4°	120.0°
C44	C43	H43	120.5°	120.0°
C43	C44	C45	121.3°	120.0°
C43	C44	C3	120.5°	120.0°
C45	C44	C3	118.3°	120.0°
C44	C45	C46	119.9°	120.0°
C44	C45	H45	120.1°	120.0°
C44	C3	O2	115.0°	109.5°
C44	C3	H31A	106.4°	109.5°
C44	C3	H32	107.7°	109.5°
C46	C45	H45	120.1°	120.0°
C45	C46	H46	121.0°	120.0°
O2	C3	H31A	106.4°	109.4°
O2	C3	H32	107.7°	109.4°
C3	O2	HO2	109.5°	106.8°
H31A	C3	H32	113.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C16	O13	117.2°	118.8°
C12	C11	C16	H11	122.3°	118.7°
C12	C11	O13	H11	123.2°	122.6°
C11	C12	C15	H121	121.7°	118.4°
C11	C12	C15	H122	120.0°	118.3°
C11	C12	H121	H122	121.2°	123.2°
C11	C12	C15	C2	97.8°	149.0°
C11	C12	C15	C1	21.0°	37.7°
C11	C12	C15	H15	143.6°	85.0°
C12	C11	C16	C1	34.5°	23.8°
C12	C11	C16	H161	155.9°	143.5°
C12	C11	C16	H162	85.5°	95.1°
C12	C11	O13	C21	87.3°	151.9°
C16	C11	O13	H11	125.6°	122.5°
C16	C11	C12	C15	33.8°	38.0°
C16	C11	C12	H121	87.9°	80.4°
C16	C11	C12	H122	153.8°	156.4°
C11	C16	C1	O1	95.2°	112.1°
C11	C16	C1	C15	22.2°	0.4°
C11	C16	C1	H161	121.4°	120.3°
C11	C16	C1	H162	120.0°	118.4°
C11	C16	H161	H162	121.0°	121.0°
C11	C16	C1	H1	146.1°	123.1°
C16	C11	O13	C21	161.5°	93.2°
O13	C11	C12	C15	80.0°	156.8°
O13	C11	C12	H121	158.3°	38.4°
O13	C11	C12	H122	40.0°	84.9°
O13	C11	C16	C1	82.7°	142.5°
O13	C11	C16	H161	38.7°	97.7°
O13	C11	C16	H162	157.3°	23.7°
C11	O13	C21	O21	47.5°	0.0°
C11	O13	C21	N21	170.2°	180.0°
H11	C11	C12	C15	159.0°	80.7°
H11	C11	C12	H121	37.3°	160.9°
H11	C11	C12	H122	81.0°	37.7°
H11	C11	C16	C1	156.8°	95.0°
H11	C11	C16	H161	81.8°	24.8°
H11	C11	C16	H162	36.8°	146.2°
H11	C11	O13	C21	35.9°	29.3°
C15	C12	H121	H122	121.2°	123.3°
C12	C15	C1	O1	121.9°	92.2°
C12	C15	C2	C14	137.2°	112.3°
C12	C15	C2	C1	119.3°	110.9°
C12	C15	C2	H15	118.1°	125.9°
C12	C15	C1	H15	118.1°	122.6°
C12	C15	C1	C16	0.6°	23.2°
C12	C15	C2	H21	14.4°	6.3°
C12	C15	C2	H22A	102.8°	129.0°
C12	C15	C1	H1	119.6°	146.6°
H121	C12	C15	C2	140.5°	30.6°
H121	C12	C15	C1	100.7°	80.7°
H121	C12	C15	H15	21.9°	156.6°
H122	C12	C15	C2	22.2°	92.7°
H122	C12	C15	C1	140.9°	156.0°
H122	C12	C15	H15	96.4°	33.3°
O1	C14	C2	H141	121.0°	118.9°
O1	C14	C2	H142	120.0°	118.8°
O1	C14	H141	H142	120.7°	122.3°
O1	C14	C2	C15	31.9°	24.9°
C14	O1	C1	C15	21.9°	39.2°
C14	O1	C1	C16	138.9°	152.4°
O1	C14	C2	H21	91.0°	93.8°
O1	C14	C2	H22A	151.9°	143.6°
C14	O1	C1	H1	102.0°	82.5°
C1	O1	C14	C2	34.3°	40.5°
C1	O1	C14	H141	155.3°	159.3°
C1	O1	C14	H142	85.7°	78.4°
O1	C1	C15	C2	1.4°	22.1°
O1	C1	C15	C16	122.4°	115.4°
O1	C1	C15	H1	118.6°	121.2°
O1	C1	C15	H15	120.0°	145.2°
O1	C1	C16	H1	118.7°	124.8°
O1	C1	C16	H161	26.2°	127.6°
O1	C1	C16	H162	144.8°	6.3°
C2	C14	H141	H142	120.7°	122.3°
C14	C2	C15	H21	122.9°	118.7°
C14	C2	C15	H22A	120.0°	118.7°
C14	C2	C15	C1	17.9°	1.4°
C14	C2	C15	H15	104.7°	121.7°
C14	C2	H21	H22A	122.2°	122.6°
H141	C14	C2	C15	152.9°	143.8°
H141	C14	C2	H21	30.0°	25.1°
H141	C14	C2	H22A	87.1°	97.6°
H142	C14	C2	C15	88.1°	93.9°
H142	C14	C2	H21	149.0°	147.4°
H142	C14	C2	H22A	31.9°	24.7°
C2	C15	C1	H15	118.7°	123.1°
C2	C15	C1	C16	123.8°	137.4°
C15	C2	H21	H22A	122.2°	122.6°
C2	C15	C1	H1	117.2°	99.1°
C15	C1	C16	H1	123.9°	123.5°
C15	C1	C16	H161	143.6°	120.7°
C15	C1	C16	H162	97.9°	118.1°
C1	C15	C2	H21	105.0°	117.2°
C1	C15	C2	H22A	137.9°	120.1°
H15	C15	C1	C16	117.5°	99.4°
H15	C15	C2	H21	132.4°	119.6°
H15	C15	C2	H22A	15.3°	3.1°
H15	C15	C1	H1	1.5°	24.0°
C1	C16	H161	H162	121.0°	121.3°
H161	C16	C1	H1	92.5°	2.8°
H162	C16	C1	H1	26.0°	118.5°
O13	C21	O21	N21	118.6°	180.0°
O13	C21	N21	C22	178.8°	180.0°
O13	C21	N21	HN21	1.3°	0.0°
O21	C21	N21	C22	56.3°	0.0°
O21	C21	N21	HN21	123.7°	180.0°
C21	N21	C22	C23	142.9°	85.0°
C21	N21	C22	HN21	180.0°	180.0°
C21	N21	C22	C31	95.6°	155.0°
C21	N21	C22	H22	23.4°	35.0°
C23	C22	N21	C31	121.5°	120.0°
C23	C22	N21	H22	119.5°	120.0°
C23	C22	C31	H22	119.5°	120.0°
C22	C23	C24	H231	119.9°	120.0°
C22	C23	C24	H232	120.0°	120.0°
C22	C23	H231	H232	119.9°	120.0°
C22	C23	C24	C25	80.6°	90.2°
C22	C23	C24	C29	98.9°	90.0°
C23	C22	N21	HN21	37.1°	95.0°
C23	C22	C31	C32	63.4°	65.0°
C23	C22	C31	O31	59.4°	55.0°
C23	C22	C31	H31	179.7°	175.0°
N21	C22	C31	H22	120.7°	120.0°
N21	C22	C23	C24	41.8°	65.0°
N21	C22	C23	H231	161.7°	55.0°
N21	C22	C23	H232	78.2°	175.0°
N21	C22	C31	C32	176.8°	175.0°
N21	C22	C31	O31	60.4°	65.0°
N21	C22	C31	H31	59.9°	55.0°
C31	C22	C23	C24	162.2°	175.0°
C31	C22	C23	H231	78.0°	65.0°
C31	C22	C23	H232	42.1°	55.0°
C31	C22	N21	HN21	84.4°	25.0°
C22	C31	C32	O31	120.3°	120.0°
C22	C31	C32	H31	119.6°	119.9°
C22	C31	O31	H31	119.8°	119.9°
C22	C31	C32	N31	58.5°	174.6°
C22	C31	C32	H321	179.3°	65.4°
C22	C31	C32	H322	61.5°	54.6°
C22	C31	O31	HO31	110.4°	60.0°
H22	C22	C23	C24	78.8°	55.0°
H22	C22	C23	H231	41.0°	175.0°
H22	C22	C23	H232	161.2°	65.0°
H22	C22	N21	HN21	156.6°	145.0°
H22	C22	C31	C32	56.1°	55.0°
H22	C22	C31	O31	178.9°	175.0°
H22	C22	C31	H31	60.8°	65.0°
C24	C23	H231	H232	119.9°	119.9°
C23	C24	C25	C29	179.5°	179.8°
C23	C24	C25	C26	179.5°	179.8°
C23	C24	C25	H25	0.5°	0.2°
C23	C24	C29	C28	179.4°	180.0°
C23	C24	C29	H29	0.6°	0.0°
H231	C23	C24	C25	39.2°	149.7°
H231	C23	C24	C29	141.2°	30.1°
H232	C23	C24	C25	159.4°	29.8°
H232	C23	C24	C29	21.1°	150.0°
C24	C25	C26	H25	180.0°	179.6°
C24	C25	C26	C27	0.2°	0.4°
C24	C25	C26	H26	179.9°	179.7°
C25	C24	C29	C28	0.1°	0.2°
C25	C24	C29	H29	179.9°	179.8°
C29	C24	C25	C26	0.1°	0.4°
C29	C24	C25	H25	179.9°	180.0°
C24	C29	C28	C27	0.0°	0.0°
C24	C29	C28	H29	180.0°	180.0°
C24	C29	C28	H28	180.0°	180.0°
C25	C26	C27	H26	180.0°	179.9°
C25	C26	C27	C28	0.3°	0.2°
C25	C26	C27	H27	179.6°	179.9°
H25	C25	C26	C27	179.8°	180.0°
H25	C25	C26	H26	0.2°	0.1°
C26	C27	C28	H27	180.0°	180.0°
C26	C27	C28	C29	0.3°	0.0°
C26	C27	C28	H28	179.7°	180.0°
H26	C26	C27	C28	179.7°	180.0°
H26	C26	C27	H27	0.3°	0.0°
C27	C28	C29	H28	180.0°	180.0°
C27	C28	C29	H29	180.0°	180.0°
H27	C27	C28	C29	179.7°	179.9°
H27	C27	C28	H28	0.3°	0.0°
H28	C28	C29	H29	0.0°	0.0°
C32	C31	O31	H31	116.9°	120.1°
C31	C32	N31	H321	120.7°	120.0°
C31	C32	N31	H322	120.0°	120.0°
C31	C32	H321	H322	120.5°	120.0°
C31	C32	N31	C33	57.9°	80.7°
C32	C31	O31	HO31	12.9°	60.0°
C31	C32	N31	S31	109.7°	99.3°
O31	C31	C32	N31	178.8°	65.4°
O31	C31	C32	H321	60.4°	54.6°
O31	C31	C32	H322	58.8°	174.6°
H31	C31	C32	N31	61.1°	54.7°
H31	C31	C32	H321	59.7°	174.7°
H31	C31	C32	H322	178.9°	65.3°
H31	C31	O31	HO31	129.8°	180.0°
N31	C32	H321	H322	120.5°	120.0°
C32	N31	C33	C34	110.6°	64.2°
C32	N31	C33	S31	168.1°	180.0°
C32	N31	C33	H331	6.7°	55.8°
C32	N31	C33	H332	129.4°	175.8°
C32	N31	S31	O32	33.5°	22.6°
C32	N31	S31	O33	164.2°	157.4°
C32	N31	S31	C41	83.4°	90.0°
H321	C32	N31	C33	62.9°	159.3°
H321	C32	N31	S31	129.6°	20.7°
H322	C32	N31	C33	177.9°	39.3°
H322	C32	N31	S31	10.3°	140.7°
C34	C33	N31	H331	117.3°	120.0°
C34	C33	N31	H332	120.0°	120.0°
C34	C33	H331	H332	118.3°	120.0°
C33	C34	C35	C36	122.0°	120.0°
C33	C34	C35	H34	117.6°	120.0°
C33	C34	C36	H34	117.8°	120.0°
C33	C34	C35	H351	171.1°	54.5°
C33	C34	C35	H352	68.8°	174.5°
C33	C34	C35	H353	51.1°	65.5°
C33	C34	C36	H361	105.2°	60.0°
C33	C34	C36	H362	14.8°	60.0°
C33	C34	C36	H363	134.9°	180.0°
C34	C33	N31	S31	81.3°	115.8°
N31	C33	H331	H332	118.4°	120.0°
N31	C33	C34	C35	128.4°	65.4°
N31	C33	C34	C36	109.7°	174.6°
N31	C33	C34	H34	10.8°	54.7°
C33	N31	S31	O32	133.3°	157.4°
C33	N31	S31	O33	2.7°	22.6°
C33	N31	S31	C41	109.8°	90.0°
H331	C33	C34	C35	114.3°	174.6°
H331	C33	C34	C36	7.6°	54.6°
H331	C33	C34	H34	128.1°	65.4°
H331	C33	N31	S31	161.5°	124.2°
H332	C33	C34	C35	8.4°	54.6°
H332	C33	C34	C36	130.3°	65.4°
H332	C33	C34	H34	109.2°	174.6°
H332	C33	N31	S31	38.7°	4.2°
C35	C34	C36	H34	117.8°	120.0°
C34	C35	H351	H352	120.0°	120.0°
C34	C35	H351	H353	120.0°	120.0°
C34	C35	H352	H353	120.0°	120.0°
C35	C34	C36	H361	19.2°	60.0°
C35	C34	C36	H362	139.2°	180.0°
C35	C34	C36	H363	100.8°	60.0°
C36	C34	C35	H351	49.1°	65.5°
C36	C34	C35	H352	169.2°	54.5°
C36	C34	C35	H353	70.9°	174.5°
C34	C36	H361	H362	120.0°	120.1°
C34	C36	H361	H363	120.0°	120.0°
C34	C36	H362	H363	120.0°	120.0°
H34	C34	C35	H351	71.3°	174.5°
H34	C34	C35	H352	48.8°	65.5°
H34	C34	C35	H353	168.7°	54.5°
H34	C34	C36	H361	137.0°	180.0°
H34	C34	C36	H362	103.0°	60.0°
H34	C34	C36	H363	17.0°	60.0°
H351	C35	H352	H353	120.0°	120.0°
H361	C36	H362	H363	120.0°	119.9°
O32	S31	O33	N31	124.7°	123.2°
O32	S31	O33	C41	118.0°	123.1°
O32	S31	N31	C41	116.9°	112.6°
O32	S31	C41	C42	127.4°	22.6°
O32	S31	C41	C46	51.9°	157.1°
O33	S31	N31	C41	112.4°	112.6°
O33	S31	C41	C42	0.1°	157.4°
O33	S31	C41	C46	179.2°	22.3°
N31	S31	C41	C42	113.0°	90.1°
N31	S31	C41	C46	67.7°	90.3°
S31	C41	C42	C46	179.3°	179.7°
S31	C41	C42	C43	179.3°	180.0°
S31	C41	C42	H42	0.7°	0.1°
S31	C41	C46	C45	179.2°	179.8°
S31	C41	C46	H46	0.8°	0.2°
C41	C42	C43	H42	180.0°	179.9°
C41	C42	C43	C44	0.1°	0.0°
C41	C42	C43	H43	179.9°	179.9°
C42	C41	C46	C45	0.0°	0.5°
C42	C41	C46	H46	180.0°	179.9°
C46	C41	C42	C43	0.0°	0.3°
C46	C41	C42	H42	180.0°	179.8°
C41	C46	C45	C44	0.0°	0.4°
C41	C46	C45	H46	180.0°	179.6°
C41	C46	C45	H45	180.0°	179.8°
C42	C43	C44	H43	180.0°	179.9°
C42	C43	C44	C45	0.1°	0.1°
C42	C43	C44	C3	179.5°	180.0°
H42	C42	C43	C44	179.9°	180.0°
H42	C42	C43	H43	0.1°	0.0°
C43	C44	C45	C3	179.6°	180.0°
C43	C44	C45	C46	0.0°	0.1°
C43	C44	C45	H45	180.0°	179.9°
C43	C44	C3	O2	107.0°	90.0°
C43	C44	C3	H31A	135.5°	150.0°
C43	C44	C3	H32	13.0°	30.0°
H43	C43	C44	C45	179.9°	180.0°
H43	C43	C44	C3	0.5°	0.0°
C44	C45	C46	H45	180.0°	179.8°
C44	C45	C46	H46	179.9°	180.0°
C45	C44	C3	O2	73.4°	90.0°
C45	C44	C3	H31A	44.1°	30.0°
C45	C44	C3	H32	166.6°	150.0°
C3	C44	C45	C46	179.6°	179.8°
C3	C44	C45	H45	0.4°	0.1°
C44	C3	O2	H31A	117.5°	120.1°
C44	C3	O2	H32	120.0°	120.0°
C44	C3	H31A	H32	118.5°	120.1°
C44	C3	O2	HO2	172.0°	180.0°
H45	C45	C46	H46	0.1°	0.2°
O2	C3	H31A	H32	118.5°	119.9°
H31A	C3	O2	HO2	54.5°	59.9°
H32	C3	O2	HO2	68.0°	60.0°

Definition date:	2006-05-23
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	GRL