Obsolete: Q72

Q72 was replaced with 672 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C4	sing	1.53Å	1.55Å
C2	C3	sing	1.51Å	1.54Å
C2	C1	sing	1.53Å	1.54Å
C2	H2	sing	1.09Å	1.10Å
C4	H41A	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C4	H43	sing	1.09Å	1.10Å
C3	C9	doub	1.38Å	1.41Å	Aromatic
C3	C5	sing	1.38Å	1.42Å	Aromatic
C9	C8	sing	1.38Å	1.43Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C8	C13	sing	1.51Å	1.54Å
C8	C7	doub	1.38Å	1.45Å	Aromatic
C13	C15	sing	1.53Å	1.55Å
C13	C14	sing	1.53Å	1.55Å
C13	H13	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
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H143	sing	1.09Å	1.10Å
C7	S16	sing	1.76Å	1.84Å
C7	C6	sing	1.38Å	1.47Å	Aromatic
S16	N19	sing	1.66Å	1.65Å
S16	O18	doub	1.42Å	1.45Å
S16	O17	doub	1.42Å	1.45Å
N19	C20	sing	1.46Å	1.47Å
N19	HN19	sing	0.97Å	1.00Å
C20	C23	sing	1.53Å	1.56Å
C20	C21	sing	1.51Å	1.51Å
C20	H20	sing	1.09Å	1.10Å
C23	C24	sing	1.51Å	1.54Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	C29	doub	1.38Å	1.43Å	Aromatic
C24	C25	sing	1.38Å	1.44Å	Aromatic
C29	C28	sing	1.40Å	1.42Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C28	C30	sing	1.48Å	1.42Å
C28	C27	doub	1.39Å	1.43Å	Aromatic
C30	N32	sing	1.38Å	1.36Å
C30	N31	doub	1.30Å	1.34Å
N32	H321	sing	0.97Å	1.00Å
N32	H322	sing	0.97Å	1.00Å
N31	HN31	sing	0.97Å	1.00Å
C27	C26	sing	1.38Å	1.42Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C26	C25	doub	1.38Å	1.41Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C21	N33	sing	1.35Å	1.52Å
C21	O22	doub	1.21Å	1.24Å
N33	C38	sing	1.47Å	1.45Å
N33	C34	sing	1.47Å	1.45Å
C38	C37	sing	1.53Å	1.56Å
C38	H381	sing	1.09Å	1.10Å
C38	H382	sing	1.09Å	1.10Å
C37	N36	sing	1.47Å	1.46Å
C37	H371	sing	1.09Å	1.10Å
C37	H372	sing	1.09Å	1.10Å
N36	C39	sing	1.35Å	1.48Å
N36	C35	sing	1.47Å	1.46Å
C39	C41	sing	1.51Å	1.51Å
C39	O40	doub	1.21Å	1.23Å
C41	C46	sing	1.53Å	1.56Å
C41	C42	sing	1.53Å	1.59Å
C41	H41	sing	1.09Å	1.10Å
C46	C45	sing	1.53Å	1.54Å
C46	H461	sing	1.09Å	1.10Å
C46	H462	sing	1.09Å	1.10Å
C45	N44	sing	1.47Å	1.55Å
C45	H451	sing	1.09Å	1.10Å
C45	H452	sing	1.09Å	1.10Å
N44	C47	sing	1.37Å	1.36Å
N44	C43	sing	1.47Å	1.52Å
C47	N49	sing	1.38Å	1.35Å
C47	N48	doub	1.30Å	1.35Å
N49	H491	sing	0.97Å	1.00Å
N49	H492	sing	0.97Å	1.00Å
N48	HN48	sing	0.97Å	1.00Å
C43	C42	sing	1.53Å	1.55Å
C43	H431	sing	1.09Å	1.10Å
C43	H432	sing	1.09Å	1.10Å
C42	H421	sing	1.09Å	1.10Å
C42	H422	sing	1.09Å	1.10Å
C35	C34	sing	1.53Å	1.53Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.09Å	1.10Å
C34	H341	sing	1.09Å	1.10Å
C34	H342	sing	1.09Å	1.10Å
C6	C10	sing	1.51Å	1.55Å
C6	C5	doub	1.38Å	1.43Å	Aromatic
C10	C12	sing	1.53Å	1.55Å
C10	C11	sing	1.53Å	1.55Å
C10	H10	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C12	H123	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
C5	H5	sing	1.08Å	1.08Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C2	C3	111.7°	109.5°
C4	C2	C1	108.7°	109.5°
C4	C2	H2	108.9°	109.5°
C2	C4	H41A	109.5°	109.4°
C2	C4	H42	109.5°	109.4°
C2	C4	H43	109.5°	109.5°
C3	C2	C1	110.8°	109.4°
C3	C2	H2	106.8°	109.5°
C2	C3	C9	118.7°	120.0°
C2	C3	C5	122.5°	120.0°
C1	C2	H2	109.9°	109.4°
C2	C1	H11	109.4°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H13A	109.5°	109.4°
H41A	C4	H42	109.5°	109.5°
H41A	C4	H43	109.5°	109.5°
H42	C4	H43	109.5°	109.5°
C9	C3	C5	118.8°	120.0°
C3	C9	C8	122.0°	120.1°
C3	C9	H9	119.0°	120.0°
C3	C5	C6	121.6°	120.0°
C3	C5	H5	119.2°	120.0°
C8	C9	H9	119.0°	120.0°
C9	C8	C13	118.5°	120.0°
C9	C8	C7	120.0°	119.9°
C13	C8	C7	121.5°	120.0°
C8	C13	C15	113.2°	109.5°
C8	C13	C14	109.1°	109.5°
C8	C13	H13	107.5°	109.5°
C8	C7	S16	120.8°	120.0°
C8	C7	C6	117.9°	120.0°
C15	C13	C14	110.2°	109.4°
C15	C13	H13	106.2°	109.5°
C13	C15	H151	109.5°	109.4°
C13	C15	H152	109.5°	109.5°
C13	C15	H153	109.5°	109.4°
C14	C13	H13	110.6°	109.4°
C13	C14	H141	109.5°	109.4°
C13	C14	H142	109.5°	109.5°
C13	C14	H143	109.5°	109.5°
H151	C15	H152	109.5°	109.5°
H151	C15	H153	109.5°	109.5°
H152	C15	H153	109.5°	109.5°
H141	C14	H142	109.5°	109.5°
H141	C14	H143	109.5°	109.4°
H142	C14	H143	109.5°	109.5°
S16	C7	C6	121.3°	120.0°
C7	S16	N19	104.4°	107.4°
C7	S16	O18	109.6°	105.8°
C7	S16	O17	110.5°	105.8°
C7	C6	C10	122.6°	120.0°
C7	C6	C5	119.7°	120.0°
N19	S16	O18	106.8°	105.8°
N19	S16	O17	107.8°	105.8°
S16	N19	C20	117.8°	120.0°
S16	N19	HN19	106.8°	120.0°
O18	S16	O17	116.9°	125.4°
C20	N19	HN19	106.8°	120.0°
N19	C20	C23	110.3°	109.5°
N19	C20	C21	108.6°	109.5°
N19	C20	H20	111.2°	109.5°
C23	C20	C21	114.0°	109.4°
C23	C20	H20	105.4°	109.4°
C20	C23	C24	114.2°	109.5°
C20	C23	H231	106.8°	109.5°
C20	C23	H232	107.9°	109.5°
C21	C20	H20	107.2°	109.4°
C20	C21	N33	121.0°	120.0°
C20	C21	O22	118.9°	120.0°
C24	C23	H231	106.8°	109.4°
C24	C23	H232	107.9°	109.5°
C23	C24	C29	119.1°	119.9°
C23	C24	C25	120.8°	119.9°
H231	C23	H232	113.3°	109.5°
C29	C24	C25	120.1°	120.2°
C24	C29	C28	120.2°	119.8°
C24	C29	H29	119.9°	120.1°
C24	C25	C26	119.7°	120.3°
C24	C25	H25	120.2°	119.8°
C28	C29	H29	119.9°	120.1°
C29	C28	C30	120.7°	120.1°
C29	C28	C27	118.7°	119.7°
C30	C28	C27	120.6°	120.2°
C28	C30	N32	120.8°	120.0°
C28	C30	N31	121.0°	120.0°
C28	C27	C26	121.3°	119.9°
C28	C27	H27	119.4°	120.1°
N32	C30	N31	118.2°	120.0°
C30	N32	H321	125.3°	120.0°
C30	N32	H322	109.2°	120.0°
C30	N31	HN31	109.3°	120.0°
H321	N32	H322	125.4°	120.0°
C26	C27	H27	119.4°	120.0°
C27	C26	C25	120.0°	120.1°
C27	C26	H26	120.0°	119.9°
C25	C26	H26	120.0°	119.9°
C26	C25	H25	120.1°	119.9°
N33	C21	O22	120.1°	120.0°
C21	N33	C38	117.2°	120.6°
C21	N33	C34	114.0°	120.6°
C38	N33	C34	128.7°	118.8°
N33	C38	C37	109.9°	108.6°
N33	C38	H381	109.2°	109.6°
N33	C38	H382	109.3°	109.6°
N33	C34	C35	106.0°	108.9°
N33	C34	H341	111.4°	109.7°
N33	C34	H342	110.7°	109.3°
C37	C38	H381	109.2°	109.6°
C37	C38	H382	109.3°	109.6°
C38	C37	N36	110.5°	108.6°
C38	C37	H371	108.9°	109.6°
C38	C37	H372	109.1°	109.6°
H381	C38	H382	109.8°	109.7°
N36	C37	H371	108.9°	109.6°
N36	C37	H372	109.1°	109.5°
C37	N36	C39	117.0°	120.5°
C37	N36	C35	128.9°	118.8°
H371	C37	H372	110.3°	109.8°
C39	N36	C35	114.1°	120.6°
N36	C39	C41	119.9°	120.0°
N36	C39	O40	119.6°	120.0°
N36	C35	C34	107.3°	108.7°
N36	C35	H351	110.7°	109.6°
N36	C35	H352	110.2°	109.6°
C41	C39	O40	120.5°	120.0°
C39	C41	C46	107.5°	109.4°
C39	C41	C42	110.2°	109.4°
C39	C41	H41	111.2°	109.5°
C46	C41	C42	112.2°	109.5°
C46	C41	H41	109.3°	109.5°
C41	C46	C45	111.4°	109.3°
C41	C46	H461	108.4°	109.5°
C41	C46	H462	108.8°	109.6°
C42	C41	H41	106.5°	109.5°
C41	C42	C43	111.7°	109.3°
C41	C42	H421	108.2°	109.5°
C41	C42	H422	108.7°	109.5°
C45	C46	H461	108.4°	109.5°
C45	C46	H462	108.9°	109.5°
C46	C45	N44	107.4°	108.7°
C46	C45	H451	110.6°	109.6°
C46	C45	H452	110.2°	109.6°
H461	C46	H462	111.0°	109.5°
N44	C45	H451	110.6°	109.6°
N44	C45	H452	110.1°	109.6°
C45	N44	C47	121.5°	120.6°
C45	N44	C43	116.8°	118.8°
H451	C45	H452	107.9°	109.7°
C47	N44	C43	121.6°	120.7°
N44	C47	N49	120.4°	120.0°
N44	C47	N48	121.0°	120.0°
N44	C43	C42	107.4°	108.8°
N44	C43	H431	110.6°	109.6°
N44	C43	H432	110.2°	109.6°
N49	C47	N48	118.6°	120.0°
C47	N49	H491	125.0°	120.0°
C47	N49	H492	110.1°	119.9°
C47	N48	HN48	110.0°	120.0°
H491	N49	H492	125.0°	120.1°
C42	C43	H431	110.6°	109.6°
C42	C43	H432	110.1°	109.6°
C43	C42	H421	108.2°	109.5°
C43	C42	H422	108.7°	109.5°
H431	C43	H432	107.9°	109.7°
H421	C42	H422	111.3°	109.5°
C34	C35	H351	110.7°	109.6°
C34	C35	H352	110.2°	109.5°
C35	C34	H341	111.4°	109.7°
C35	C34	H342	110.7°	109.6°
H351	C35	H352	107.8°	109.8°
H341	C34	H342	106.8°	109.7°
C10	C6	C5	117.7°	120.0°
C6	C10	C12	110.8°	109.5°
C6	C10	C11	111.7°	109.5°
C6	C10	H10	106.8°	109.5°
C6	C5	H5	119.2°	120.0°
C12	C10	C11	108.9°	109.4°
C12	C10	H10	109.7°	109.5°
C10	C12	H121	109.4°	109.5°
C10	C12	H122	109.4°	109.4°
C10	C12	H123	109.5°	109.4°
C11	C10	H10	108.9°	109.5°
C10	C11	H111	109.5°	109.5°
C10	C11	H112	109.4°	109.4°
C10	C11	H113	109.5°	109.5°
H121	C12	H122	109.6°	109.5°
H121	C12	H123	109.4°	109.5°
H122	C12	H123	109.4°	109.4°
H111	C11	H112	109.5°	109.4°
H111	C11	H113	109.5°	109.5°
H112	C11	H113	109.4°	109.5°
H11	C1	H12	109.5°	109.5°
H11	C1	H13A	109.5°	109.4°
H12	C1	H13A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C2	C3	C1	121.4°	120.0°
C4	C2	C3	H2	119.0°	120.1°
C4	C2	C1	H2	119.1°	120.0°
C2	C4	H41A	H42	120.0°	119.9°
C2	C4	H41A	H43	120.0°	120.0°
C2	C4	H42	H43	120.0°	120.0°
C4	C2	C3	C9	146.6°	120.0°
C4	C2	C3	C5	33.3°	60.2°
C4	C2	C1	H11	142.4°	59.9°
C4	C2	C1	H12	22.4°	180.0°
C4	C2	C1	H13A	97.6°	60.0°
C3	C2	C1	H2	117.7°	120.0°
C3	C2	C4	H41A	156.1°	180.0°
C3	C2	C4	H42	36.1°	60.1°
C3	C2	C4	H43	83.9°	60.0°
C2	C3	C9	C5	179.9°	179.8°
C2	C3	C9	C8	179.8°	180.0°
C2	C3	C9	H9	0.2°	0.1°
C2	C3	C5	C6	179.9°	179.7°
C2	C3	C5	H5	0.1°	0.2°
C3	C2	C1	H11	19.2°	60.1°
C3	C2	C1	H12	100.8°	60.0°
C3	C2	C1	H13A	139.2°	180.0°
C1	C2	C4	H41A	33.5°	60.0°
C1	C2	C4	H42	86.5°	180.0°
C1	C2	C4	H43	153.5°	60.0°
C1	C2	C3	C9	92.0°	120.1°
C1	C2	C3	C5	88.1°	59.8°
C2	C1	H11	H12	120.0°	120.0°
C2	C1	H11	H13A	120.0°	119.9°
C2	C1	H12	H13A	120.0°	120.0°
H2	C2	C4	H41A	86.2°	59.9°
H2	C2	C4	H42	153.8°	60.0°
H2	C2	C4	H43	33.8°	179.9°
H2	C2	C3	C9	27.7°	0.1°
H2	C2	C3	C5	152.3°	179.7°
H2	C2	C1	H11	98.5°	179.9°
H2	C2	C1	H12	141.5°	60.0°
H2	C2	C1	H13A	21.5°	60.0°
H41A	C4	H42	H43	120.0°	120.0°
C3	C9	C8	H9	180.0°	179.9°
C3	C9	C8	C13	179.7°	180.0°
C3	C9	C8	C7	0.2°	0.0°
C9	C3	C5	C6	0.2°	0.4°
C9	C3	C5	H5	179.9°	180.0°
C5	C3	C9	C8	0.2°	0.2°
C5	C3	C9	H9	179.8°	179.7°
C3	C5	C6	C7	0.2°	0.5°
C3	C5	C6	C10	179.9°	179.8°
C3	C5	C6	H5	180.0°	179.6°
C9	C8	C13	C7	179.5°	180.0°
C9	C8	C13	C15	42.3°	78.2°
C9	C8	C13	C14	80.9°	41.8°
C9	C8	C13	H13	159.2°	161.8°
C9	C8	C7	S16	179.9°	179.9°
C9	C8	C7	C6	0.2°	0.1°
H9	C9	C8	C13	0.2°	0.1°
H9	C9	C8	C7	179.8°	179.9°
C8	C13	C15	C14	122.5°	120.0°
C8	C13	C15	H13	117.7°	120.1°
C8	C13	C14	H13	118.0°	120.0°
C8	C13	C15	H151	118.1°	60.0°
C8	C13	C15	H152	1.9°	180.0°
C8	C13	C15	H153	121.9°	60.0°
C8	C13	C14	H141	64.8°	60.0°
C8	C13	C14	H142	55.2°	180.0°
C8	C13	C14	H143	175.2°	60.0°
C13	C8	C7	S16	0.4°	0.1°
C13	C8	C7	C6	179.7°	179.9°
C7	C8	C13	C15	138.2°	101.8°
C7	C8	C13	C14	98.6°	138.2°
C7	C8	C13	H13	21.2°	18.2°
C8	C7	S16	C6	179.9°	179.9°
C8	C7	S16	N19	70.8°	88.9°
C8	C7	S16	O18	43.3°	158.5°
C8	C7	S16	O17	173.6°	23.7°
C8	C7	C6	C10	179.9°	180.0°
C8	C7	C6	C5	0.2°	0.3°
C15	C13	C14	H13	117.1°	119.9°
C13	C15	H151	H152	120.0°	120.0°
C13	C15	H151	H153	120.0°	119.9°
C13	C15	H152	H153	120.0°	120.0°
C15	C13	C14	H141	60.1°	180.0°
C15	C13	C14	H142	179.9°	60.0°
C15	C13	C14	H143	59.9°	60.1°
C14	C13	C15	H151	119.4°	60.0°
C14	C13	C15	H152	120.6°	60.0°
C14	C13	C15	H153	0.6°	180.0°
C13	C14	H141	H142	120.0°	120.0°
C13	C14	H141	H143	120.0°	120.0°
C13	C14	H142	H143	120.0°	120.0°
H13	C13	C15	H151	0.4°	180.0°
H13	C13	C15	H152	119.6°	59.9°
H13	C13	C15	H153	120.4°	60.1°
H13	C13	C14	H141	177.2°	60.1°
H13	C13	C14	H142	62.8°	60.0°
H13	C13	C14	H143	57.2°	180.0°
H151	C15	H152	H153	120.0°	120.0°
H141	C14	H142	H143	120.0°	120.0°
C7	S16	N19	O18	116.1°	112.6°
C7	S16	N19	O17	117.5°	112.6°
C7	S16	O18	O17	126.7°	123.1°
C7	S16	N19	C20	53.6°	59.1°
C7	S16	N19	HN19	173.6°	120.9°
S16	C7	C6	C10	0.2°	0.1°
S16	C7	C6	C5	179.9°	179.8°
C6	C7	S16	N19	109.1°	91.2°
C6	C7	S16	O18	136.8°	21.4°
C6	C7	S16	O17	6.5°	156.2°
C7	C6	C10	C5	179.7°	179.7°
C7	C6	C10	C12	104.9°	143.7°
C7	C6	C10	C11	133.5°	96.3°
C7	C6	C10	H10	14.6°	23.7°
C7	C6	C5	H5	179.9°	179.9°
N19	S16	O18	O17	120.7°	123.1°
S16	N19	C20	HN19	120.0°	180.0°
S16	N19	C20	C23	118.8°	114.2°
S16	N19	C20	C21	115.6°	125.8°
S16	N19	C20	H20	2.2°	5.8°
O18	S16	N19	C20	169.7°	53.5°
O18	S16	N19	HN19	70.3°	126.5°
O17	S16	N19	C20	63.9°	171.7°
O17	S16	N19	HN19	56.1°	8.3°
N19	C20	C23	C21	122.5°	120.0°
N19	C20	C23	H20	120.1°	120.0°
N19	C20	C21	H20	120.2°	120.1°
N19	C20	C23	C24	82.9°	63.7°
N19	C20	C23	H231	34.9°	56.3°
N19	C20	C23	H232	157.0°	176.4°
N19	C20	C21	N33	148.7°	171.1°
N19	C20	C21	O22	31.1°	8.9°
HN19	N19	C20	C23	1.2°	65.8°
HN19	N19	C20	C21	124.4°	54.2°
HN19	N19	C20	H20	117.8°	174.2°
C23	C20	C21	H20	116.3°	119.9°
C20	C23	C24	H231	117.9°	120.0°
C20	C23	C24	H232	120.0°	120.0°
C20	C23	H231	H232	118.6°	120.0°
C20	C23	C24	C29	91.7°	90.3°
C20	C23	C24	C25	87.9°	90.0°
C23	C20	C21	N33	87.8°	68.9°
C23	C20	C21	O22	92.4°	111.2°
C21	C20	C23	C24	39.6°	176.3°
C21	C20	C23	H231	157.5°	63.7°
C21	C20	C23	H232	80.4°	56.3°
C20	C21	N33	O22	179.8°	180.0°
C20	C21	N33	C38	0.3°	174.5°
C20	C21	N33	C34	178.9°	5.7°
H20	C20	C23	C24	157.0°	56.4°
H20	C20	C23	H231	85.2°	176.3°
H20	C20	C23	H232	36.9°	63.6°
H20	C20	C21	N33	28.5°	51.0°
H20	C20	C21	O22	151.3°	128.9°
C24	C23	H231	H232	118.7°	120.0°
C23	C24	C29	C25	179.6°	179.8°
C23	C24	C29	C28	179.3°	179.7°
C23	C24	C29	H29	0.7°	0.2°
C23	C24	C25	C26	179.0°	180.0°
C23	C24	C25	H25	1.0°	0.0°
H231	C23	C24	C29	26.2°	149.8°
H231	C23	C24	C25	154.2°	30.0°
H232	C23	C24	C29	148.3°	29.7°
H232	C23	C24	C25	32.1°	150.0°
C24	C29	C28	H29	180.0°	179.5°
C24	C29	C28	C30	179.5°	179.7°
C24	C29	C28	C27	0.2°	0.5°
C29	C24	C25	C26	0.6°	0.3°
C29	C24	C25	H25	179.4°	179.8°
C25	C24	C29	C28	0.3°	0.5°
C25	C24	C29	H29	179.7°	180.0°
C24	C25	C26	C27	0.3°	0.0°
C24	C25	C26	H25	180.0°	179.9°
C24	C25	C26	H26	179.6°	180.0°
C29	C28	C30	C27	179.7°	179.8°
C29	C28	C30	N32	174.1°	179.8°
C29	C28	C30	N31	4.5°	0.2°
C29	C28	C27	C26	0.4°	0.2°
C29	C28	C27	H27	179.6°	179.7°
H29	C29	C28	C30	0.5°	0.3°
H29	C29	C28	C27	179.8°	180.0°
C28	C30	N32	N31	178.6°	180.0°
C28	C30	N32	H321	0.0°	0.0°
C28	C30	N32	H322	180.0°	179.9°
C28	C30	N31	HN31	0.8°	179.9°
C30	C28	C27	C26	179.3°	180.0°
C30	C28	C27	H27	0.8°	0.0°
C27	C28	C30	N32	5.6°	0.0°
C27	C28	C30	N31	175.8°	180.0°
C28	C27	C26	H27	180.0°	180.0°
C28	C27	C26	C25	0.1°	0.0°
C28	C27	C26	H26	179.9°	180.0°
C30	N32	H321	H322	180.0°	180.0°
N32	C30	N31	HN31	179.4°	0.0°
N31	C30	N32	H321	178.6°	180.0°
N31	C30	N32	H322	1.4°	0.0°
C27	C26	C25	H26	180.0°	179.9°
C27	C26	C25	H25	179.7°	180.0°
H27	C27	C26	C25	179.8°	180.0°
H27	C27	C26	H26	0.2°	0.0°
H26	C26	C25	H25	0.4°	0.1°
C21	N33	C38	C34	179.0°	179.8°
C21	N33	C38	C37	139.8°	124.8°
C21	N33	C38	H381	100.4°	115.4°
C21	N33	C38	H382	19.8°	5.1°
C21	N33	C34	C35	125.1°	124.8°
C21	N33	C34	H341	3.8°	4.8°
C21	N33	C34	H342	114.9°	115.5°
O22	C21	N33	C38	180.0°	5.6°
O22	C21	N33	C34	0.9°	174.2°
N33	C38	C37	H381	119.8°	119.8°
N33	C38	C37	H382	120.0°	119.7°
N33	C38	H381	H382	119.9°	120.4°
N33	C38	C37	N36	21.1°	49.4°
N33	C38	C37	H371	140.6°	169.2°
N33	C38	C37	H372	98.9°	70.3°
C38	N33	C34	C35	53.9°	54.9°
C38	N33	C34	H341	175.3°	174.9°
C38	N33	C34	H342	66.1°	64.7°
C34	N33	C38	C37	39.3°	55.0°
C34	N33	C38	H381	80.6°	64.8°
C34	N33	C38	H382	159.3°	174.7°
N33	C34	C35	N36	47.6°	49.2°
N33	C34	C35	H341	121.3°	120.0°
N33	C34	C35	H342	120.0°	119.5°
N33	C34	C35	H351	168.4°	169.0°
N33	C34	C35	H352	72.4°	70.5°
N33	C34	H341	H342	120.9°	120.0°
C37	C38	H381	H382	119.9°	120.5°
C38	C37	N36	H371	119.6°	119.8°
C38	C37	N36	H372	120.0°	119.7°
C38	C37	H371	H372	119.7°	120.4°
C38	C37	N36	C39	146.6°	124.8°
C38	C37	N36	C35	32.8°	55.2°
H381	C38	C37	N36	98.8°	70.4°
H381	C38	C37	H371	20.8°	49.4°
H381	C38	C37	H372	141.3°	170.0°
H382	C38	C37	N36	141.1°	169.1°
H382	C38	C37	H371	99.4°	71.1°
H382	C38	C37	H372	21.1°	49.4°
N36	C37	H371	H372	119.7°	120.4°
C37	N36	C39	C35	179.5°	179.9°
C37	N36	C39	C41	3.8°	174.6°
C37	N36	C39	O40	177.0°	5.5°
C37	N36	C35	C34	47.6°	55.1°
C37	N36	C35	H351	168.4°	174.9°
C37	N36	C35	H352	72.4°	64.6°
H371	C37	N36	C39	27.0°	5.0°
H371	C37	N36	C35	152.3°	175.0°
H372	C37	N36	C39	93.4°	115.6°
H372	C37	N36	C35	87.2°	64.5°
N36	C39	C41	O40	179.2°	179.9°
N36	C39	C41	C46	103.8°	171.9°
N36	C39	C41	C42	133.6°	68.0°
N36	C39	C41	H41	15.7°	51.9°
C39	N36	C35	C34	131.8°	124.9°
C39	N36	C35	H351	11.0°	5.0°
C39	N36	C35	H352	108.2°	115.5°
C35	N36	C39	C41	176.8°	5.5°
C35	N36	C39	O40	2.5°	174.5°
N36	C35	C34	H351	120.9°	119.8°
N36	C35	C34	H352	120.0°	119.7°
N36	C35	H351	H352	120.6°	120.5°
N36	C35	C34	H341	168.9°	169.2°
N36	C35	C34	H342	72.4°	70.3°
C39	C41	C46	C42	121.3°	120.0°
C39	C41	C46	H41	120.8°	120.0°
C39	C41	C42	H41	120.8°	120.0°
C39	C41	C46	C45	175.7°	178.6°
C39	C41	C46	H461	56.6°	58.7°
C39	C41	C46	H462	64.3°	61.4°
C39	C41	C42	C43	173.2°	178.6°
C39	C41	C42	H421	67.8°	61.4°
C39	C41	C42	H422	53.2°	58.7°
O40	C39	C41	C46	76.9°	8.0°
O40	C39	C41	C42	45.6°	112.0°
O40	C39	C41	H41	163.5°	128.0°
C46	C41	C42	H41	119.5°	120.1°
C41	C46	C45	H461	119.2°	120.0°
C41	C46	C45	H462	120.0°	120.0°
C41	C46	H461	H462	119.5°	120.2°
C41	C46	C45	N44	54.5°	54.6°
C41	C46	C45	H451	175.3°	65.2°
C41	C46	C45	H452	65.5°	174.4°
C46	C41	C42	C43	53.4°	61.4°
C46	C41	C42	H421	172.5°	58.6°
C46	C41	C42	H422	66.5°	178.6°
C42	C41	C46	C45	54.5°	61.4°
C42	C41	C46	H461	64.7°	178.7°
C42	C41	C46	H462	174.5°	58.6°
C41	C42	C43	N44	52.7°	54.7°
C41	C42	C43	H421	119.0°	119.9°
C41	C42	C43	H422	120.0°	120.0°
C41	C42	C43	H431	173.5°	65.2°
C41	C42	C43	H432	67.4°	174.4°
C41	C42	H421	H422	119.4°	120.1°
H41	C41	C46	C45	63.4°	58.7°
H41	C41	C46	H461	177.4°	61.3°
H41	C41	C46	H462	56.6°	178.6°
H41	C41	C42	C43	66.1°	58.7°
H41	C41	C42	H421	53.0°	178.7°
H41	C41	C42	H422	174.0°	61.3°
C45	C46	H461	H462	119.5°	120.0°
C46	C45	N44	H451	120.8°	119.7°
C46	C45	N44	H452	120.0°	119.8°
C46	C45	H451	H452	120.6°	120.4°
C46	C45	N44	C47	117.5°	126.5°
C46	C45	N44	C43	59.9°	53.6°
H461	C46	C45	N44	64.7°	174.6°
H461	C46	C45	H451	56.1°	54.8°
H461	C46	C45	H452	175.4°	65.6°
H462	C46	C45	N44	174.5°	65.4°
H462	C46	C45	H451	64.7°	174.8°
H462	C46	C45	H452	54.5°	54.4°
N44	C45	H451	H452	120.5°	120.4°
C45	N44	C47	C43	177.3°	179.9°
C45	N44	C47	N49	9.5°	174.7°
C45	N44	C47	N48	169.4°	5.2°
C45	N44	C43	C42	58.8°	53.6°
C45	N44	C43	H431	179.6°	66.2°
C45	N44	C43	H432	61.3°	173.4°
H451	C45	N44	C47	3.3°	113.8°
H451	C45	N44	C43	179.3°	66.1°
H452	C45	N44	C47	122.5°	6.7°
H452	C45	N44	C43	60.1°	173.4°
N44	C47	N49	N48	178.9°	180.0°
N44	C47	N49	H491	0.0°	5.6°
N44	C47	N49	H492	180.0°	174.5°
N44	C47	N48	HN48	0.6°	180.0°
C47	N44	C43	C42	118.7°	126.4°
C47	N44	C43	H431	2.2°	113.8°
C47	N44	C43	H432	121.3°	6.6°
C43	N44	C47	N49	173.2°	5.3°
C43	N44	C47	N48	7.9°	174.7°
N44	C43	C42	H431	120.8°	119.8°
N44	C43	C42	H432	120.0°	119.8°
N44	C43	H431	H432	120.6°	120.3°
N44	C43	C42	H421	171.7°	65.3°
N44	C43	C42	H422	67.3°	174.6°
C47	N49	H491	H492	180.0°	179.9°
N49	C47	N48	HN48	179.5°	0.0°
N48	C47	N49	H491	179.0°	174.4°
N48	C47	N49	H492	1.1°	5.5°
C42	C43	H431	H432	120.5°	120.4°
C43	C42	H421	H422	119.4°	120.1°
H431	C43	C42	H421	67.5°	174.9°
H431	C43	C42	H422	53.5°	54.8°
H432	C43	C42	H421	51.7°	54.5°
H432	C43	C42	H422	172.7°	65.6°
C34	C35	H351	H352	120.6°	120.3°
C35	C34	H341	H342	121.0°	120.5°
H351	C35	C34	H341	70.2°	71.0°
H351	C35	C34	H342	48.4°	49.5°
H352	C35	C34	H341	48.9°	49.5°
H352	C35	C34	H342	167.6°	170.0°
C6	C10	C12	C11	123.2°	120.0°
C6	C10	C12	H10	117.7°	120.1°
C6	C10	C11	H10	117.7°	120.0°
C6	C10	C12	H121	65.7°	56.6°
C6	C10	C12	H122	174.2°	176.6°
C6	C10	C12	H123	54.3°	63.5°
C6	C10	C11	H111	15.8°	59.9°
C6	C10	C11	H112	135.8°	60.0°
C6	C10	C11	H113	104.2°	180.0°
C10	C6	C5	H5	0.1°	0.2°
C5	C6	C10	C12	74.8°	36.0°
C5	C6	C10	C11	46.7°	83.9°
C5	C6	C10	H10	165.7°	156.0°
C12	C10	C11	H10	119.6°	120.0°
C10	C12	H121	H122	120.0°	120.0°
C10	C12	H121	H123	120.0°	120.0°
C10	C12	H122	H123	120.0°	119.9°
C12	C10	C11	H111	138.5°	60.0°
C12	C10	C11	H112	101.5°	180.0°
C12	C10	C11	H113	18.5°	60.1°
C11	C10	C12	H121	57.5°	63.4°
C11	C10	C12	H122	62.6°	56.6°
C11	C10	C12	H123	177.5°	176.5°
C10	C11	H111	H112	120.0°	119.9°
C10	C11	H111	H113	120.0°	120.1°
C10	C11	H112	H113	120.0°	120.0°
H10	C10	C12	H121	176.6°	176.6°
H10	C10	C12	H122	56.5°	63.4°
H10	C10	C12	H123	63.5°	56.6°
H10	C10	C11	H111	101.9°	180.0°
H10	C10	C11	H112	18.1°	60.0°
H10	C10	C11	H113	138.1°	59.9°
H121	C12	H122	H123	120.0°	120.1°
H111	C11	H112	H113	120.0°	120.0°
H11	C1	H12	H13A	120.0°	120.0°

Definition date:	2006-05-04
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	672