PCF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C12	sing	1.48Å	1.48Å
N	C13	sing	1.53Å	1.47Å
N	C14	sing	1.53Å	1.45Å
N	C15	sing	1.53Å	1.48Å
P	O11	sing	1.63Å	1.61Å
P	O12	doub	1.51Å	1.53Å
P	O13	sing	1.64Å	1.59Å
P	O14	sing	1.51Å	1.53Å
O11	C1	sing	1.42Å	1.41Å
O13	C11	sing	1.42Å	1.09Å
C11	C12	sing	1.52Å	1.54Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H133	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H143	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C15	H153	sing	1.09Å	1.10Å
C1	C2	sing	1.52Å	1.53Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C3	sing	1.52Å	1.55Å
C2	O21	sing	1.43Å	1.43Å
C2	H21	sing	1.10Å	1.10Å
C3	O31	sing	1.43Å	1.41Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
O31	C31	sing	1.36Å	1.35Å
O32	C31	doub	1.22Å	1.20Å
C31	C32	sing	1.51Å	1.51Å
C32	C33	sing	1.53Å	1.54Å
C32	H321	sing	1.10Å	1.10Å
C32	H322	sing	1.10Å	1.10Å
C33	C34	sing	1.53Å	1.53Å
C33	H331	sing	1.10Å	1.10Å
C33	H332	sing	1.10Å	1.10Å
C34	C35	sing	1.53Å	1.53Å
C34	H341	sing	1.10Å	1.10Å
C34	H342	sing	1.10Å	1.10Å
C35	C36	sing	1.53Å	1.52Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.10Å	1.10Å
C36	C37	sing	1.53Å	1.52Å
C36	H361	sing	1.10Å	1.10Å
C36	H362	sing	1.10Å	1.10Å
C37	C38	sing	1.53Å	1.52Å
C37	H371	sing	1.10Å	1.10Å
C37	H372	sing	1.10Å	1.10Å
C38	C39	sing	1.53Å	1.53Å
C38	H381	sing	1.10Å	1.10Å
C38	H382	sing	1.10Å	1.10Å
C39	C40	sing	1.53Å	1.53Å
C39	H391	sing	1.10Å	1.10Å
C39	H392	sing	1.10Å	1.10Å
C40	C41	sing	1.53Å	1.53Å
C40	H401	sing	1.10Å	1.10Å
C40	H402	sing	1.10Å	1.10Å
C41	C42	sing	1.53Å	1.53Å
C41	H411	sing	1.10Å	1.10Å
C41	H412	sing	1.10Å	1.10Å
C42	C43	sing	1.53Å	1.53Å
C42	H421	sing	1.10Å	1.10Å
C42	H422	sing	1.10Å	1.10Å
C43	C44	sing	1.53Å	56.54Å
C43	H431	sing	1.10Å	1.10Å
C43	H432	sing	1.10Å	1.10Å
O21	C21	sing	1.36Å	1.36Å
O22	C21	doub	1.22Å	1.20Å
C21	C22	sing	1.51Å	1.50Å
C22	C23	sing	1.53Å	1.54Å
C22	H221	sing	1.10Å	1.10Å
C22	H222	sing	1.10Å	1.10Å
C23	C24	sing	1.53Å	1.53Å
C23	H231	sing	1.10Å	1.10Å
C23	H232	sing	1.10Å	1.10Å
C24	C25	sing	1.53Å	1.53Å
C24	H241	sing	1.10Å	1.10Å
C24	H242	sing	1.10Å	1.10Å
C25	C26	sing	1.53Å	1.54Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.10Å	1.10Å
C26	C27	sing	1.53Å	61.48Å
C26	H261	sing	1.10Å	1.10Å
C26	H262	sing	1.10Å	1.10Å
C27	C28	sing	1.53Å	0.00Å
C27	H271	sing	1.10Å	0.00Å
C27	H272	sing	1.10Å	0.00Å
C28	C29	sing	1.53Å	0.00Å
C28	H281	sing	1.10Å	0.00Å
C28	H282	sing	1.10Å	0.00Å
C29	C30	sing	1.53Å	0.00Å
C29	H291	sing	1.10Å	0.00Å
C29	H292	sing	1.10Å	0.00Å
C30	C47	sing	1.53Å	0.00Å
C30	H301	sing	1.10Å	0.00Å
C30	H302	sing	1.10Å	0.00Å
C47	C48	sing	1.53Å	0.00Å
C47	H471	sing	1.10Å	0.00Å
C47	H472	sing	1.10Å	0.00Å
C48	C49	sing	1.53Å	0.00Å
C48	H481	sing	1.10Å	0.00Å
C48	H482	sing	1.10Å	0.00Å
C49	C50	sing	1.53Å	0.00Å
C49	H491	sing	1.10Å	0.00Å
C49	H492	sing	1.10Å	0.00Å
C50	C51	sing	1.53Å	0.00Å
C50	H501	sing	1.10Å	0.00Å
C50	H502	sing	1.10Å	0.00Å
C51	C52	sing	1.52Å	0.00Å
C51	H511	sing	1.10Å	0.00Å
C51	H512	sing	1.10Å	0.00Å
C52	H521	sing	1.09Å	0.00Å
C52	H522	sing	1.10Å	0.00Å
C52	H523	sing	1.09Å	0.00Å
C44	C45	sing	1.53Å	0.00Å
C44	H441	sing	1.10Å	0.00Å
C44	H442	sing	1.10Å	0.00Å
C45	C46	sing	1.52Å	0.00Å
C45	H451	sing	1.10Å	0.00Å
C45	H452	sing	1.10Å	0.00Å
C46	H461	sing	1.09Å	0.00Å
C46	H462	sing	1.09Å	0.00Å
C46	H463	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N	C13	110.7°	110.8°
C12	N	C14	108.2°	110.7°
C12	N	C15	112.7°	110.8°
N	C12	C11	110.3°	109.3°
N	C12	H121	109.2°	106.4°
N	C12	H122	109.0°	106.7°
C13	N	C14	110.1°	108.1°
C13	N	C15	108.6°	108.2°
N	C13	H131	109.5°	107.8°
N	C13	H132	109.4°	107.8°
N	C13	H133	109.5°	107.8°
C14	N	C15	106.5°	108.1°
N	C14	H141	109.5°	107.9°
N	C14	H142	109.5°	107.8°
N	C14	H143	109.5°	107.8°
N	C15	H151	109.5°	107.9°
N	C15	H152	109.5°	107.8°
N	C15	H153	109.4°	107.8°
O11	P	O12	112.7°	109.3°
O11	P	O13	109.7°	100.0°
O11	P	O14	104.7°	108.0°
P	O11	C1	113.8°	119.0°
O12	P	O13	108.3°	108.2°
O12	P	O14	107.6°	120.3°
O13	P	O14	113.9°	109.1°
P	O13	C11	132.6°	119.2°
O11	C1	C2	109.9°	109.8°
O11	C1	H11	109.3°	108.1°
O11	C1	H12	109.2°	107.3°
O13	C11	C12	111.1°	109.6°
O13	C11	H111	108.9°	107.9°
O13	C11	H112	108.6°	109.0°
C12	C11	H111	109.0°	109.8°
C12	C11	H112	108.5°	111.7°
C11	C12	H121	109.2°	112.1°
C11	C12	H122	109.0°	111.7°
H111	C11	H112	110.8°	108.8°
H121	C12	H122	110.1°	110.4°
H131	C13	H132	109.5°	111.1°
H131	C13	H133	109.5°	111.1°
H132	C13	H133	109.5°	111.1°
H141	C14	H142	109.5°	111.1°
H141	C14	H143	109.4°	111.0°
H142	C14	H143	109.5°	111.0°
H151	C15	H152	109.4°	111.1°
H151	C15	H153	109.5°	111.0°
H152	C15	H153	109.5°	111.1°
C2	C1	H11	109.4°	111.6°
C2	C1	H12	109.3°	111.1°
C1	C2	C3	98.5°	111.5°
C1	C2	O21	111.9°	108.7°
C1	C2	H21	113.8°	111.2°
H11	C1	H12	109.8°	108.9°
C3	C2	O21	105.7°	108.0°
C3	C2	H21	119.2°	110.6°
C2	C3	O31	109.3°	109.0°
C2	C3	H31	109.5°	111.2°
C2	C3	H32	109.5°	111.1°
O21	C2	H21	107.4°	106.7°
C2	O21	C21	113.3°	115.7°
O31	C3	H31	109.5°	107.9°
O31	C3	H32	109.6°	108.0°
C3	O31	C31	111.2°	115.7°
H31	C3	H32	109.3°	109.5°
O31	C31	O32	127.5°	126.1°
O31	C31	C32	110.3°	109.9°
O32	C31	C32	122.2°	124.1°
C31	C32	C33	112.2°	112.4°
C31	C32	H321	108.6°	107.4°
C31	C32	H322	108.0°	110.1°
C33	C32	H321	108.6°	110.2°
C33	C32	H322	108.0°	110.2°
C32	C33	C34	110.1°	115.2°
C32	C33	H331	109.3°	109.2°
C32	C33	H332	109.1°	108.5°
H321	C32	H322	111.6°	106.3°
C34	C33	H331	109.3°	108.1°
C34	C33	H332	109.1°	109.0°
C33	C34	C35	111.8°	113.8°
C33	C34	H341	108.7°	109.5°
C33	C34	H342	108.2°	108.2°
H331	C33	H332	110.0°	106.4°
C35	C34	H341	108.7°	109.5°
C35	C34	H342	108.2°	109.2°
C34	C35	C36	107.9°	111.1°
C34	C35	H351	110.0°	109.2°
C34	C35	H352	110.3°	109.8°
H341	C34	H342	111.3°	106.3°
C36	C35	H351	110.0°	109.4°
C36	C35	H352	110.3°	109.7°
C35	C36	C37	111.1°	113.6°
C35	C36	H361	108.9°	109.9°
C35	C36	H362	108.6°	109.0°
H351	C35	H352	108.3°	107.4°
C37	C36	H361	108.9°	109.7°
C37	C36	H362	108.5°	108.2°
C36	C37	C38	108.1°	115.9°
C36	C37	H371	109.9°	108.8°
C36	C37	H372	110.2°	108.2°
H361	C36	H362	110.8°	106.1°
C38	C37	H371	109.9°	108.4°
C38	C37	H372	110.2°	108.8°
C37	C38	C39	111.0°	113.6°
C37	C38	H381	109.0°	108.0°
C37	C38	H382	108.7°	109.8°
H371	C37	H372	108.5°	106.3°
C39	C38	H381	109.0°	109.1°
C39	C38	H382	108.7°	109.8°
C38	C39	C40	109.5°	111.3°
C38	C39	H391	109.4°	109.6°
C38	C39	H392	109.5°	110.2°
H381	C38	H382	110.6°	106.1°
C40	C39	H391	109.5°	109.7°
C40	C39	H392	109.4°	108.7°
C39	C40	C41	110.7°	111.2°
C39	C40	H401	109.1°	109.4°
C39	C40	H402	108.8°	109.7°
H391	C39	H392	109.5°	107.3°
C41	C40	H401	109.0°	109.6°
C41	C40	H402	108.8°	109.6°
C40	C41	C42	111.6°	111.2°
C40	C41	H411	108.8°	109.6°
C40	C41	H412	108.3°	109.0°
H401	C40	H402	110.5°	107.3°
C42	C41	H411	108.7°	109.6°
C42	C41	H412	108.3°	110.2°
C41	C42	C43	109.7°	113.5°
C41	C42	H421	109.4°	109.8°
C41	C42	H422	109.4°	109.0°
H411	C41	H412	111.2°	107.3°
C43	C42	H421	109.4°	109.6°
C43	C42	H422	109.4°	108.0°
C42	C43	C44	96.2°	113.4°
C42	C43	H431	114.2°	107.6°
C42	C43	H432	116.8°	109.6°
H421	C42	H422	109.6°	106.7°
C44	C43	H431	114.2°	109.5°
C44	C43	H432	116.8°	109.8°
C43	C44	C45	90.0°	113.2°
C43	C44	H441	90.0°	109.6°
C43	C44	H442	90.0°	109.8°
H431	C43	H432	99.7°	106.8°
O21	C21	O22	126.6°	126.0°
O21	C21	C22	111.8°	109.9°
O22	C21	C22	121.6°	124.1°
C21	C22	C23	112.3°	112.4°
C21	C22	H221	108.6°	107.5°
C21	C22	H222	107.9°	110.2°
C23	C22	H221	108.6°	110.2°
C23	C22	H222	107.9°	110.2°
C22	C23	C24	109.7°	115.3°
C22	C23	H231	109.4°	109.2°
C22	C23	H232	109.3°	108.5°
H221	C22	H222	111.6°	106.3°
C24	C23	H231	109.4°	108.1°
C24	C23	H232	109.4°	109.0°
C23	C24	C25	111.0°	113.8°
C23	C24	H241	109.0°	109.5°
C23	C24	H242	108.6°	108.2°
H231	C23	H232	109.7°	106.4°
C25	C24	H241	108.9°	109.5°
C25	C24	H242	108.6°	109.3°
C24	C25	C26	110.6°	111.1°
C24	C25	H251	109.1°	109.2°
C24	C25	H252	108.9°	109.8°
H241	C24	H242	110.7°	106.3°
C26	C25	H251	109.1°	109.5°
C26	C25	H252	108.9°	109.7°
C25	C26	C27	162.8°	113.6°
C25	C26	H261	94.3°	109.9°
C25	C26	H262	88.0°	109.1°
H251	C25	H252	110.4°	107.4°
C27	C26	H261	94.3°	109.7°
C27	C26	H262	88.0°	108.2°
C26	C27	C28	90.0°	115.9°
C26	C27	H271	90.0°	108.9°
C26	C27	H272	90.0°	108.2°
H261	C26	H262	163.1°	106.0°
C28	C27	H271	90.0°	108.4°
C28	C27	H272	90.0°	108.7°
C27	C28	C29	90.0°	113.7°
C27	C28	H281	90.0°	108.0°
C27	C28	H282	90.0°	109.8°
H271	C27	H272	90.0°	106.3°
C29	C28	H281	90.0°	109.1°
C29	C28	H282	90.0°	109.8°
C28	C29	C30	90.0°	111.3°
C28	C29	H291	90.0°	109.6°
C28	C29	H292	90.0°	110.2°
H281	C28	H282	90.0°	106.0°
C30	C29	H291	90.0°	109.7°
C30	C29	H292	90.0°	108.7°
C29	C30	C47	90.0°	111.3°
C29	C30	H301	90.0°	109.4°
C29	C30	H302	90.0°	109.7°
H291	C29	H292	90.0°	107.2°
C47	C30	H301	90.0°	109.5°
C47	C30	H302	90.0°	109.6°
C30	C47	C48	90.0°	111.3°
C30	C47	H471	90.0°	109.6°
C30	C47	H472	90.0°	109.0°
H301	C30	H302	90.0°	107.2°
C48	C47	H471	90.0°	109.5°
C48	C47	H472	90.0°	110.2°
C47	C48	C49	90.0°	113.5°
C47	C48	H481	90.0°	109.8°
C47	C48	H482	90.0°	108.9°
H471	C47	H472	90.0°	107.2°
C49	C48	H481	90.0°	109.7°
C49	C48	H482	90.0°	108.0°
C48	C49	C50	90.0°	113.4°
C48	C49	H491	90.0°	107.6°
C48	C49	H492	90.0°	109.6°
H481	C48	H482	90.0°	106.7°
C50	C49	H491	90.0°	109.5°
C50	C49	H492	90.0°	109.8°
C49	C50	C51	90.0°	113.3°
C49	C50	H501	90.0°	109.6°
C49	C50	H502	90.0°	109.8°
H491	C49	H492	90.0°	106.7°
C51	C50	H501	90.0°	107.6°
C51	C50	H502	90.0°	109.6°
C50	C51	C52	90.0°	113.7°
C50	C51	H511	90.0°	108.3°
C50	C51	H512	90.0°	109.9°
H501	C50	H502	90.0°	106.8°
C52	C51	H511	90.0°	108.4°
C52	C51	H512	90.0°	109.5°
C51	C52	H521	90.0°	111.1°
C51	C52	H522	90.0°	110.0°
C51	C52	H523	90.0°	111.6°
H511	C51	H512	90.0°	106.8°
H521	C52	H522	90.0°	108.0°
H521	C52	H523	90.0°	108.5°
H522	C52	H523	90.0°	107.5°
C45	C44	H441	90.0°	107.5°
C45	C44	H442	90.0°	109.6°
C44	C45	C46	90.0°	113.6°
C44	C45	H451	90.0°	108.4°
C44	C45	H452	90.0°	109.9°
H441	C44	H442	90.0°	106.9°
C46	C45	H451	90.0°	108.4°
C46	C45	H452	90.0°	109.5°
C45	C46	H461	90.0°	111.1°
C45	C46	H462	90.0°	110.0°
C45	C46	H463	90.0°	111.6°
H451	C45	H452	90.0°	106.8°
H461	C46	H462	90.0°	108.0°
H461	C46	H463	90.0°	108.5°
H462	C46	H463	90.0°	107.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	N	C13	C14	119.6°	121.5°
C12	N	C13	C15	124.2°	121.6°
C12	N	C14	C15	121.4°	121.5°
N	C12	C11	O13	54.8°	178.5°
N	C12	C11	H121	120.0°	117.7°
N	C12	C11	H122	119.7°	117.8°
N	C12	C11	H111	65.2°	60.1°
N	C12	C11	H112	174.1°	60.7°
N	C12	H121	H122	119.7°	115.4°
C12	N	C13	H131	175.4°	69.3°
C12	N	C13	H132	64.6°	50.7°
C12	N	C13	H133	55.4°	170.7°
C12	N	C14	H141	179.6°	110.4°
C12	N	C14	H142	60.3°	9.7°
C12	N	C14	H143	59.7°	129.7°
C12	N	C15	H151	8.8°	82.8°
C12	N	C15	H152	128.8°	37.2°
C12	N	C15	H153	111.2°	157.2°
C13	N	C14	C15	117.5°	116.9°
C13	N	C12	C11	57.8°	61.2°
C13	N	C12	H121	177.8°	60.0°
C13	N	C12	H122	61.8°	177.9°
N	C13	H131	H132	120.0°	117.9°
N	C13	H131	H133	120.0°	117.9°
N	C13	H132	H133	120.0°	117.9°
C13	N	C14	H141	59.2°	11.2°
C13	N	C14	H142	60.8°	131.3°
C13	N	C14	H143	179.2°	108.8°
C13	N	C15	H151	114.2°	155.6°
C13	N	C15	H152	5.8°	84.4°
C13	N	C15	H153	125.8°	35.6°
C14	N	C12	C11	178.6°	58.8°
C14	N	C12	H121	61.4°	180.0°
C14	N	C12	H122	58.9°	62.1°
C14	N	C13	H131	55.9°	169.2°
C14	N	C13	H132	175.8°	70.8°
C14	N	C13	H133	64.2°	49.2°
N	C14	H141	H142	120.0°	118.0°
N	C14	H141	H143	120.0°	117.9°
N	C14	H142	H143	120.0°	117.9°
C14	N	C15	H151	127.3°	38.7°
C14	N	C15	H152	112.8°	158.8°
C14	N	C15	H153	7.2°	81.3°
C15	N	C12	C11	64.0°	178.7°
C15	N	C12	H121	56.0°	60.1°
C15	N	C12	H122	176.4°	57.8°
C15	N	C13	H131	60.4°	52.3°
C15	N	C13	H132	59.6°	172.3°
C15	N	C13	H133	179.6°	67.7°
C15	N	C14	H141	58.3°	128.1°
C15	N	C14	H142	178.3°	111.8°
C15	N	C14	H143	61.7°	8.1°
N	C15	H151	H152	120.0°	118.0°
N	C15	H151	H153	120.0°	117.9°
N	C15	H152	H153	120.0°	117.9°
O11	P	O12	O13	121.6°	108.0°
O11	P	O12	O14	114.9°	125.7°
O11	P	O13	O14	117.0°	113.2°
O11	P	O13	C11	109.0°	53.2°
P	O11	C1	C2	178.9°	180.0°
P	O11	C1	H11	61.1°	58.1°
P	O11	C1	H12	59.1°	59.1°
O12	P	O13	O14	119.7°	132.5°
O12	P	O11	C1	170.1°	47.5°
O12	P	O13	C11	14.3°	167.5°
O13	P	O11	C1	49.3°	66.0°
P	O13	C11	C12	139.5°	180.0°
P	O13	C11	H111	100.5°	60.4°
P	O13	C11	H112	20.2°	57.5°
O14	P	O11	C1	73.3°	180.0°
O14	P	O13	C11	134.0°	60.0°
O11	C1	C2	H11	120.0°	119.8°
O11	C1	C2	H12	119.8°	118.6°
O11	C1	H11	H12	119.8°	116.2°
O11	C1	C2	C3	139.6°	59.8°
O11	C1	C2	O21	28.8°	178.7°
O11	C1	C2	H21	93.2°	64.2°
O13	C11	C12	H111	120.0°	118.4°
O13	C11	C12	H112	119.3°	120.8°
O13	C11	H111	H112	119.3°	118.1°
O13	C11	C12	H121	65.2°	63.9°
O13	C11	C12	H122	174.5°	60.6°
C12	C11	H111	H112	119.3°	122.5°
C11	C12	H121	H122	119.7°	125.2°
H111	C11	C12	H121	174.8°	177.7°
H111	C11	C12	H122	54.4°	57.7°
H112	C11	C12	H121	54.1°	57.0°
H112	C11	C12	H122	66.2°	178.5°
H131	C13	H132	H133	120.0°	124.2°
H141	C14	H142	H143	120.0°	124.1°
H151	C15	H152	H153	120.0°	124.1°
C2	C1	H11	H12	119.9°	123.0°
C1	C2	C3	O21	115.7°	119.3°
C1	C2	C3	H21	123.4°	124.3°
C1	C2	O21	H21	125.5°	120.0°
C1	C2	C3	O31	179.5°	178.8°
C1	C2	C3	H31	59.5°	60.0°
C1	C2	C3	H32	60.5°	62.3°
C1	C2	O21	C21	135.7°	60.1°
H11	C1	C2	C3	100.4°	60.0°
H11	C1	C2	O21	148.7°	58.9°
H11	C1	C2	H21	26.8°	176.1°
H12	C1	C2	C3	19.7°	178.3°
H12	C1	C2	O21	91.1°	62.8°
H12	C1	C2	H21	147.0°	54.4°
C3	C2	O21	H21	128.3°	118.9°
C2	C3	O31	H31	120.0°	120.9°
C2	C3	O31	H32	120.1°	120.8°
C2	C3	H31	H32	120.0°	123.1°
C2	C3	O31	C31	179.5°	180.0°
C3	C2	O21	C21	118.2°	178.9°
O21	C2	C3	O31	64.9°	59.5°
O21	C2	C3	H31	175.1°	59.4°
O21	C2	C3	H32	55.2°	178.4°
C2	O21	C21	O22	47.5°	0.0°
C2	O21	C21	C22	133.0°	179.9°
H21	C2	C3	O31	56.0°	56.9°
H21	C2	C3	H31	63.9°	175.7°
H21	C2	C3	H32	176.1°	62.0°
H21	C2	O21	C21	10.2°	60.0°
O31	C3	H31	H32	120.1°	117.4°
C3	O31	C31	O32	0.2°	0.1°
C3	O31	C31	C32	179.7°	179.9°
H31	C3	O31	C31	60.5°	59.1°
H32	C3	O31	C31	59.5°	59.2°
O31	C31	O32	C32	179.9°	179.8°
O31	C31	C32	C33	72.7°	178.5°
O31	C31	C32	H321	47.3°	60.2°
O31	C31	C32	H322	168.5°	55.2°
O32	C31	C32	C33	107.4°	1.3°
O32	C31	C32	H321	132.6°	120.0°
O32	C31	C32	H322	11.4°	124.6°
C31	C32	C33	H321	120.0°	119.7°
C31	C32	C33	H322	118.8°	123.3°
C31	C32	H321	H322	118.9°	117.9°
C31	C32	C33	C34	176.4°	178.2°
C31	C32	C33	H331	56.4°	60.0°
C31	C32	C33	H332	63.9°	55.6°
C33	C32	H321	H322	118.9°	119.4°
C32	C33	C34	H331	120.0°	122.4°
C32	C33	C34	H332	119.7°	122.3°
C32	C33	H331	H332	119.8°	117.0°
C32	C33	C34	C35	148.1°	177.2°
C32	C33	C34	H341	28.1°	60.0°
C32	C33	C34	H342	92.9°	55.5°
H321	C32	C33	C34	63.6°	58.4°
H321	C32	C33	H331	176.4°	179.8°
H321	C32	C33	H332	56.1°	64.1°
H322	C32	C33	C34	57.6°	58.6°
H322	C32	C33	H331	62.4°	63.2°
H322	C32	C33	H332	177.3°	178.9°
C34	C33	H331	H332	119.7°	117.0°
C33	C34	C35	H341	120.0°	122.9°
C33	C34	C35	H342	119.0°	121.1°
C33	C34	H341	H342	119.1°	116.7°
C33	C34	C35	C36	136.6°	179.2°
C33	C34	C35	H351	103.4°	60.0°
C33	C34	C35	H352	16.0°	57.6°
H331	C33	C34	C35	91.9°	54.7°
H331	C33	C34	H341	148.1°	177.6°
H331	C33	C34	H342	27.1°	66.9°
H332	C33	C34	C35	28.3°	60.6°
H332	C33	C34	H341	91.6°	62.3°
H332	C33	C34	H342	147.3°	177.8°
C35	C34	H341	H342	119.0°	117.9°
C34	C35	C36	H351	120.0°	120.7°
C34	C35	C36	H352	120.6°	121.7°
C34	C35	H351	H352	120.6°	119.1°
C34	C35	C36	C37	149.2°	176.7°
C34	C35	C36	H361	29.2°	60.0°
C34	C35	C36	H362	91.5°	55.9°
H341	C34	C35	C36	16.6°	57.9°
H341	C34	C35	H351	136.6°	62.9°
H341	C34	C35	H352	104.0°	179.5°
H342	C34	C35	C36	104.4°	58.1°
H342	C34	C35	H351	15.6°	179.0°
H342	C34	C35	H352	135.0°	63.5°
C36	C35	H351	H352	120.6°	119.0°
C35	C36	C37	H361	120.0°	123.4°
C35	C36	C37	H362	119.3°	121.2°
C35	C36	H361	H362	119.3°	117.8°
C35	C36	C37	C38	108.1°	177.6°
C35	C36	C37	H371	11.9°	60.0°
C35	C36	C37	H372	131.3°	55.1°
H351	C35	C36	C37	90.8°	62.6°
H351	C35	C36	H361	149.2°	60.7°
H351	C35	C36	H362	28.5°	176.6°
H352	C35	C36	C37	28.6°	55.0°
H352	C35	C36	H361	91.4°	178.3°
H352	C35	C36	H362	147.9°	65.7°
C37	C36	H361	H362	119.3°	116.7°
C36	C37	C38	H371	120.0°	122.7°
C36	C37	C38	H372	120.5°	122.2°
C36	C37	H371	H372	120.5°	116.3°
C36	C37	C38	C39	119.3°	178.8°
C36	C37	C38	H381	0.7°	60.0°
C36	C37	C38	H382	121.3°	55.3°
H361	C36	C37	C38	131.9°	59.0°
H361	C36	C37	H371	108.1°	63.4°
H361	C36	C37	H372	11.4°	178.6°
H362	C36	C37	C38	11.2°	56.4°
H362	C36	C37	H371	131.2°	178.8°
H362	C36	C37	H372	109.4°	66.1°
C38	C37	H371	H372	120.6°	116.8°
C37	C38	C39	H381	120.0°	120.6°
C37	C38	C39	H382	119.4°	123.5°
C37	C38	H381	H382	119.4°	117.7°
C37	C38	C39	C40	152.8°	178.5°
C37	C38	C39	H391	32.8°	60.0°
C37	C38	C39	H392	87.2°	57.8°
H371	C37	C38	C39	120.7°	58.6°
H371	C37	C38	H381	119.3°	62.7°
H371	C37	C38	H382	1.3°	178.0°
H372	C37	C38	C39	1.2°	56.6°
H372	C37	C38	H381	121.2°	177.9°
H372	C37	C38	H382	118.2°	66.8°
C39	C38	H381	H382	119.4°	118.3°
C38	C39	C40	H391	120.0°	121.5°
C38	C39	C40	H392	120.0°	121.5°
C38	C39	H391	H392	120.0°	119.7°
C38	C39	C40	C41	119.5°	178.5°
C38	C39	C40	H401	120.5°	57.4°
C38	C39	C40	H402	0.0°	60.0°
H381	C38	C39	C40	87.2°	60.9°
H381	C38	C39	H391	152.8°	60.6°
H381	C38	C39	H392	32.8°	178.5°
H382	C38	C39	C40	33.4°	55.0°
H382	C38	C39	H391	86.6°	176.5°
H382	C38	C39	H392	153.4°	65.6°
C40	C39	H391	H392	120.0°	117.9°
C39	C40	C41	H401	120.0°	121.1°
C39	C40	C41	H402	119.5°	121.4°
C39	C40	H401	H402	119.5°	118.9°
C39	C40	C41	C42	179.8°	178.9°
C39	C40	C41	H411	60.3°	59.8°
C39	C40	C41	H412	60.6°	57.3°
H391	C39	C40	C41	0.5°	60.0°
H391	C39	C40	H401	119.5°	178.8°
H391	C39	C40	H402	120.0°	61.4°
H392	C39	C40	C41	120.5°	57.0°
H392	C39	C40	H401	0.6°	64.2°
H392	C39	C40	H402	120.0°	178.4°
C41	C40	H401	H402	119.5°	119.0°
C40	C41	C42	H411	120.0°	121.3°
C40	C41	C42	H412	119.1°	120.9°
C40	C41	H411	H412	119.1°	118.2°
C40	C41	C42	C43	167.6°	178.7°
C40	C41	C42	H421	72.4°	55.6°
C40	C41	C42	H422	47.6°	60.9°
H401	C40	C41	C42	59.8°	60.0°
H401	C40	C41	H411	179.8°	61.2°
H401	C40	C41	H412	59.3°	178.4°
H402	C40	C41	C42	60.8°	57.4°
H402	C40	C41	H411	59.2°	178.7°
H402	C40	C41	H412	179.9°	64.2°
C42	C41	H411	H412	119.1°	119.6°
C41	C42	C43	H421	120.0°	123.2°
C41	C42	C43	H422	119.9°	120.9°
C41	C42	H421	H422	119.9°	118.0°
C41	C42	C43	C44	121.1°	176.8°
C41	C42	C43	H431	118.9°	55.6°
C41	C42	C43	H432	3.2°	60.1°
H411	C41	C42	C43	47.6°	60.0°
H411	C41	C42	H421	167.6°	176.9°
H411	C41	C42	H422	72.4°	60.4°
H412	C41	C42	C43	73.3°	57.8°
H412	C41	C42	H421	46.7°	65.3°
H412	C41	C42	H422	166.7°	178.2°
C43	C42	H421	H422	119.9°	116.7°
C42	C43	C44	H431	120.0°	120.1°
C42	C43	C44	H432	124.3°	123.0°
C42	C43	H431	H432	125.3°	117.6°
C42	C43	C44	C45	90.0°	179.9°
C42	C43	C44	H441	90.0°	59.9°
C42	C43	C44	H442	90.0°	57.3°
H421	C42	C43	C44	1.1°	60.0°
H421	C42	C43	H431	121.1°	178.8°
H421	C42	C43	H432	123.2°	63.1°
H422	C42	C43	C44	119.0°	55.9°
H422	C42	C43	H431	1.0°	65.3°
H422	C42	C43	H432	116.8°	179.0°
C44	C43	H431	H432	125.3°	118.8°
C43	C44	C45	H441	90.0°	121.2°
C43	C44	C45	H442	90.0°	123.0°
C43	C44	H441	H442	90.0°	118.9°
C43	C44	C45	C46	90.0°	178.8°
C43	C44	C45	H451	90.0°	60.7°
C43	C44	C45	H452	90.0°	55.7°
H431	C43	C44	C45	90.0°	60.0°
H431	C43	C44	H441	90.0°	179.9°
H431	C43	C44	H442	90.0°	62.8°
H432	C43	C44	C45	90.0°	56.9°
H432	C43	C44	H441	90.0°	63.1°
H432	C43	C44	H442	90.0°	179.8°
O21	C21	O22	C22	179.4°	179.8°
O21	C21	C22	C23	147.7°	178.5°
O21	C21	C22	H221	92.3°	60.1°
O21	C21	C22	H222	28.8°	55.3°
O22	C21	C22	C23	31.8°	1.3°
O22	C21	C22	H221	88.2°	120.0°
O22	C21	C22	H222	150.6°	124.6°
C21	C22	C23	H221	120.0°	119.8°
C21	C22	C23	H222	118.8°	123.2°
C21	C22	H221	H222	118.9°	117.9°
C21	C22	C23	C24	129.2°	178.1°
C21	C22	C23	H231	110.8°	60.0°
C21	C22	C23	H232	9.3°	55.6°
C23	C22	H221	H222	118.9°	119.3°
C22	C23	C24	H231	120.0°	122.5°
C22	C23	C24	H232	119.9°	122.3°
C22	C23	H231	H232	119.9°	116.9°
C22	C23	C24	C25	173.1°	177.2°
C22	C23	C24	H241	66.9°	60.0°
C22	C23	C24	H242	53.7°	55.6°
H221	C22	C23	C24	9.1°	58.3°
H221	C22	C23	H231	129.1°	179.8°
H221	C22	C23	H232	110.8°	64.2°
H222	C22	C23	C24	112.0°	58.6°
H222	C22	C23	H231	8.0°	63.3°
H222	C22	C23	H232	128.1°	178.9°
C24	C23	H231	H232	119.9°	117.0°
C23	C24	C25	H241	120.0°	122.9°
C23	C24	C25	H242	119.3°	121.0°
C23	C24	H241	H242	119.4°	116.7°
C23	C24	C25	C26	180.0°	179.2°
C23	C24	C25	H251	60.0°	60.0°
C23	C24	C25	H252	60.5°	57.6°
H231	C23	C24	C25	53.1°	54.7°
H231	C23	C24	H241	173.1°	177.5°
H231	C23	C24	H242	66.2°	66.9°
H232	C23	C24	C25	67.0°	60.6°
H232	C23	C24	H241	53.0°	62.3°
H232	C23	C24	H242	173.6°	177.8°
C25	C24	H241	H242	119.3°	117.9°
C24	C25	C26	H251	120.0°	120.7°
C24	C25	C26	H252	119.5°	121.7°
C24	C25	H251	H252	119.6°	119.1°
C24	C25	C26	C27	143.0°	176.7°
C24	C25	C26	H261	23.0°	60.0°
C24	C25	C26	H262	140.2°	55.9°
H241	C24	C25	C26	60.0°	57.9°
H241	C24	C25	H251	179.9°	62.9°
H241	C24	C25	H252	59.6°	179.5°
H242	C24	C25	C26	60.7°	58.2°
H242	C24	C25	H251	59.3°	179.0°
H242	C24	C25	H252	179.8°	63.4°
C26	C25	H251	H252	119.6°	119.1°
C25	C26	C27	H261	120.0°	123.4°
C25	C26	C27	H262	76.8°	121.3°
C25	C26	H261	H262	97.5°	117.8°
C25	C26	C27	C28	90.0°	177.6°
C25	C26	C27	H271	90.0°	59.9°
C25	C26	C27	H272	90.0°	55.2°
H251	C25	C26	C27	97.0°	62.6°
H251	C25	C26	H261	143.0°	60.7°
H251	C25	C26	H262	20.2°	176.6°
H252	C25	C26	C27	23.5°	55.1°
H252	C25	C26	H261	96.5°	178.4°
H252	C25	C26	H262	100.3°	65.7°
C27	C26	H261	H262	97.4°	116.7°
C26	C27	C28	H271	90.0°	122.8°
C26	C27	C28	H272	90.0°	122.1°
C26	C27	H271	H272	90.0°	116.4°
C26	C27	C28	C29	90.0°	178.8°
C26	C27	C28	H281	90.0°	60.0°
C26	C27	C28	H282	90.0°	55.2°
H261	C26	C27	C28	90.0°	59.0°
H261	C26	C27	H271	90.0°	63.5°
H261	C26	C27	H272	90.0°	178.6°
H262	C26	C27	C28	90.0°	56.3°
H262	C26	C27	H271	90.0°	178.8°
H262	C26	C27	H272	90.0°	66.1°
C28	C27	H271	H272	90.0°	116.7°
C27	C28	C29	H281	90.0°	120.7°
C27	C28	C29	H282	90.0°	123.5°
C27	C28	H281	H282	90.0°	117.7°
C27	C28	C29	C30	90.0°	178.5°
C27	C28	C29	H291	90.0°	59.9°
C27	C28	C29	H292	90.0°	57.8°
H271	C27	C28	C29	90.0°	58.5°
H271	C27	C28	H281	90.0°	62.8°
H271	C27	C28	H282	90.0°	178.0°
H272	C27	C28	C29	90.0°	56.6°
H272	C27	C28	H281	90.0°	177.9°
H272	C27	C28	H282	90.0°	66.9°
C29	C28	H281	H282	90.0°	118.2°
C28	C29	C30	H291	90.0°	121.5°
C28	C29	C30	H292	90.0°	121.5°
C28	C29	H291	H292	90.0°	119.6°
C28	C29	C30	C47	90.0°	178.5°
C28	C29	C30	H301	90.0°	57.4°
C28	C29	C30	H302	90.0°	60.0°
H281	C28	C29	C30	90.0°	60.8°
H281	C28	C29	H291	90.0°	60.7°
H281	C28	C29	H292	90.0°	178.5°
H282	C28	C29	C30	90.0°	55.0°
H282	C28	C29	H291	90.0°	176.6°
H282	C28	C29	H292	90.0°	65.7°
C30	C29	H291	H292	90.0°	117.9°
C29	C30	C47	H301	90.0°	121.1°
C29	C30	C47	H302	90.0°	121.5°
C29	C30	H301	H302	90.0°	118.9°
C29	C30	C47	C48	90.0°	178.9°
C29	C30	C47	H471	90.0°	59.8°
C29	C30	C47	H472	90.0°	57.2°
H291	C29	C30	C47	90.0°	60.0°
H291	C29	C30	H301	90.0°	178.9°
H291	C29	C30	H302	90.0°	61.5°
H292	C29	C30	C47	90.0°	57.0°
H292	C29	C30	H301	90.0°	64.2°
H292	C29	C30	H302	90.0°	178.5°
C47	C30	H301	H302	90.0°	118.9°
C30	C47	C48	H471	90.0°	121.3°
C30	C47	C48	H472	90.0°	121.0°
C30	C47	H471	H472	90.0°	118.1°
C30	C47	C48	C49	90.0°	178.7°
C30	C47	C48	H481	90.0°	55.6°
C30	C47	C48	H482	90.0°	60.9°
H301	C30	C47	C48	90.0°	60.0°
H301	C30	C47	H471	90.0°	61.3°
H301	C30	C47	H472	90.0°	178.3°
H302	C30	C47	C48	90.0°	57.4°
H302	C30	C47	H471	90.0°	178.7°
H302	C30	C47	H472	90.0°	64.3°
C48	C47	H471	H472	90.0°	119.5°
C47	C48	C49	H481	90.0°	123.2°
C47	C48	C49	H482	90.0°	120.9°
C47	C48	H481	H482	90.0°	117.9°
C47	C48	C49	C50	90.0°	176.8°
C47	C48	C49	H491	90.0°	55.6°
C47	C48	C49	H492	90.0°	60.1°
H471	C47	C48	C49	90.0°	60.0°
H471	C47	C48	H481	90.0°	176.9°
H471	C47	C48	H482	90.0°	60.4°
H472	C47	C48	C49	90.0°	57.7°
H472	C47	C48	H481	90.0°	65.4°
H472	C47	C48	H482	90.0°	178.1°
C49	C48	H481	H482	90.0°	116.8°
C48	C49	C50	H491	90.0°	120.2°
C48	C49	C50	H492	90.0°	122.9°
C48	C49	H491	H492	90.0°	117.5°
C48	C49	C50	C51	90.0°	179.9°
C48	C49	C50	H501	90.0°	59.7°
C48	C49	C50	H502	90.0°	57.3°
H481	C48	C49	C50	90.0°	60.0°
H481	C48	C49	H491	90.0°	178.8°
H481	C48	C49	H492	90.0°	63.1°
H482	C48	C49	C50	90.0°	56.0°
H482	C48	C49	H491	90.0°	65.3°
H482	C48	C49	H492	90.0°	179.0°
C50	C49	H491	H492	90.0°	118.8°
C49	C50	C51	H501	90.0°	121.3°
C49	C50	C51	H502	90.0°	122.9°
C49	C50	H501	H502	90.0°	118.9°
C49	C50	C51	C52	90.0°	178.7°
C49	C50	C51	H511	90.0°	60.7°
C49	C50	C51	H512	90.0°	55.6°
H491	C49	C50	C51	90.0°	59.9°
H491	C49	C50	H501	90.0°	179.9°
H491	C49	C50	H502	90.0°	62.9°
H492	C49	C50	C51	90.0°	57.0°
H492	C49	C50	H501	90.0°	63.2°
H492	C49	C50	H502	90.0°	179.8°
C51	C50	H501	H502	90.0°	117.6°
C50	C51	C52	H511	90.0°	120.5°
C50	C51	C52	H512	90.0°	123.4°
C50	C51	H511	H512	90.0°	118.4°
C50	C51	C52	H521	90.0°	54.5°
C50	C51	C52	H522	90.0°	174.1°
C50	C51	C52	H523	90.0°	66.7°
H501	C50	C51	C52	90.0°	60.0°
H501	C50	C51	H511	90.0°	60.6°
H501	C50	C51	H512	90.0°	176.9°
H502	C50	C51	C52	90.0°	55.8°
H502	C50	C51	H511	90.0°	176.3°
H502	C50	C51	H512	90.0°	67.4°
C52	C51	H511	H512	90.0°	117.9°
C51	C52	H521	H522	90.0°	120.8°
C51	C52	H521	H523	90.0°	123.0°
C51	C52	H522	H523	90.0°	121.7°
H511	C51	C52	H521	90.0°	66.0°
H511	C51	C52	H522	90.0°	53.6°
H511	C51	C52	H523	90.0°	172.8°
H512	C51	C52	H521	90.0°	177.9°
H512	C51	C52	H522	90.0°	62.6°
H512	C51	C52	H523	90.0°	56.7°
H521	C52	H522	H523	90.0°	116.9°
C45	C44	H441	H442	90.0°	117.6°
C44	C45	C46	H451	90.0°	120.5°
C44	C45	C46	H452	90.0°	123.3°
C44	C45	H451	H452	90.0°	118.4°
C44	C45	C46	H461	90.0°	54.5°
C44	C45	C46	H462	90.0°	174.0°
C44	C45	C46	H463	90.0°	66.7°
H441	C44	C45	C46	90.0°	60.0°
H441	C44	C45	H451	90.0°	60.5°
H441	C44	C45	H452	90.0°	176.9°
H442	C44	C45	C46	90.0°	55.8°
H442	C44	C45	H451	90.0°	176.3°
H442	C44	C45	H452	90.0°	67.3°
C46	C45	H451	H452	90.0°	117.9°
C45	C46	H461	H462	90.0°	120.7°
C45	C46	H461	H463	90.0°	123.0°
C45	C46	H462	H463	90.0°	121.7°
H451	C45	C46	H461	90.0°	66.0°
H451	C45	C46	H462	90.0°	53.5°
H451	C45	C46	H463	90.0°	172.8°
H452	C45	C46	H461	90.0°	177.8°
H452	C45	C46	H462	90.0°	62.7°
H452	C45	C46	H463	90.0°	56.6°
H461	C46	H462	H463	90.0°	116.9°

Definition date:	2002-09-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1KB9