110

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	1.50Å
N1	C14	sing	1.35Å	1.38Å
N1	HN1	sing	0.97Å	0.98Å
C1	C2	sing	1.53Å	1.55Å
C1	C3	sing	1.53Å	1.57Å
C1	H1	sing	1.09Å	1.12Å
O3	C10	sing	1.45Å	1.46Å
O3	C9	sing	1.34Å	1.36Å
C10	C11	sing	1.53Å	1.54Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.12Å
C11	C12	sing	1.53Å	1.53Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C9	O2	doub	1.21Å	1.22Å
C9	C3	sing	1.51Å	1.49Å
C14	O4	doub	1.22Å	1.23Å
C14	C15	sing	1.47Å	1.52Å
C17	C18	doub	1.34Å	1.51Å	Aromatic
C17	C16	sing	1.40Å	1.50Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	N3	sing	1.37Å	1.49Å	Aromatic
C18	C19	sing	1.51Å	1.51Å
N3	C15	sing	1.38Å	1.47Å	Aromatic
N3	C20	sing	1.35Å	1.34Å
C15	C16	doub	1.37Å	1.53Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C21	C20	sing	1.51Å	1.51Å
C21	N4	sing	1.47Å	1.46Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.11Å
C20	O5	doub	1.21Å	1.22Å
S1	O6	doub	1.42Å	1.44Å
S1	O7	doub	1.42Å	1.45Å
S1	C22	sing	1.81Å	1.84Å
S1	N4	sing	1.66Å	1.68Å
C24	C23	doub	1.38Å	1.40Å	Aromatic
C24	C29	sing	1.38Å	1.38Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
C23	C22	sing	1.51Å	1.49Å
C23	C26	sing	1.38Å	1.39Å	Aromatic
C22	H221	sing	1.09Å	1.12Å
C22	H222	sing	1.09Å	1.12Å
C26	C27	doub	1.38Å	1.38Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C27	C28	sing	1.38Å	1.39Å	Aromatic
C27	H27	sing	1.08Å	1.10Å
C28	C29	doub	1.38Å	1.38Å	Aromatic
C28	H28	sing	1.08Å	1.10Å
C29	H29	sing	1.08Å	1.10Å
C19	N4	sing	1.47Å	1.46Å
C19	H191	sing	1.09Å	1.12Å
C19	H192	sing	1.09Å	1.11Å
C12	C13	sing	1.53Å	1.53Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.12Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
C13	H133	sing	1.09Å	1.11Å
C2	C4	sing	1.53Å	1.57Å
C2	C8	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.55Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.56Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C6	N2	sing	1.47Å	1.47Å
C6	C7	sing	1.53Å	1.57Å
C6	H6	sing	1.09Å	1.11Å
N2	HD21	sing	1.01Å	0.98Å
N2	HD22	sing	1.01Å	0.98Å
C7	C8	sing	1.53Å	1.55Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.11Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
C3	O1	sing	1.43Å	1.48Å
C3	H3	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C14	122.1°	120.0°
C1	N1	HN1	118.2°	120.1°
N1	C1	C2	112.5°	109.4°
N1	C1	C3	112.4°	109.5°
N1	C1	H1	105.6°	109.5°
C14	N1	HN1	118.2°	120.0°
N1	C14	O4	124.5°	120.0°
N1	C14	C15	116.8°	120.0°
C2	C1	C3	110.7°	109.4°
C2	C1	H1	107.5°	109.5°
C1	C2	C4	111.0°	109.5°
C1	C2	C8	113.1°	109.5°
C1	C2	H2	106.2°	109.4°
C3	C1	H1	107.7°	109.5°
C1	C3	C9	105.2°	109.4°
C1	C3	O1	115.2°	109.5°
C1	C3	H3	107.2°	109.5°
C10	O3	C9	117.8°	120.0°
O3	C10	C11	117.3°	109.5°
O3	C10	H101	109.4°	109.4°
O3	C10	H102	109.4°	109.5°
O3	C9	O2	124.0°	120.0°
O3	C9	C3	118.4°	120.0°
C11	C10	H101	109.4°	109.5°
C11	C10	H102	109.4°	109.5°
C10	C11	C12	112.6°	109.5°
C10	C11	H111	111.1°	109.5°
C10	C11	H112	111.1°	109.5°
H101	C10	H102	100.7°	109.5°
C12	C11	H111	111.1°	109.4°
C12	C11	H112	111.1°	109.5°
C11	C12	C13	113.9°	109.5°
C11	C12	H121	110.5°	109.5°
C11	C12	H122	110.6°	109.5°
H111	C11	H112	99.3°	109.4°
O2	C9	C3	117.5°	120.0°
C9	C3	O1	105.0°	109.5°
C9	C3	H3	117.1°	109.4°
O4	C14	C15	118.7°	120.0°
C14	C15	N3	109.8°	126.1°
C14	C15	C16	112.7°	126.2°
C18	C17	C16	106.7°	107.8°
C18	C17	H17	127.0°	126.1°
C17	C18	N3	100.8°	108.8°
C17	C18	C19	115.5°	128.4°
C16	C17	H17	126.4°	126.1°
C17	C16	C15	108.5°	107.5°
C17	C16	H16	125.0°	126.3°
N3	C18	C19	103.8°	122.8°
C18	N3	C15	115.0°	108.2°
C18	N3	C20	124.5°	123.3°
C18	C19	N4	106.6°	106.7°
C18	C19	H191	113.3°	110.0°
C18	C19	H192	113.3°	110.0°
C15	N3	C20	120.5°	128.4°
N3	C15	C16	101.5°	107.6°
N3	C20	C21	120.0°	118.9°
N3	C20	O5	121.5°	120.5°
C15	C16	H16	126.5°	126.2°
C20	C21	N4	110.7°	109.5°
C20	C21	H211	111.8°	109.5°
C20	C21	H212	111.7°	109.5°
C21	C20	O5	118.5°	120.6°
N4	C21	H211	111.7°	109.5°
N4	C21	H212	111.7°	109.5°
C21	N4	S1	117.7°	120.7°
C21	N4	C19	120.1°	118.6°
H211	C21	H212	98.6°	109.4°
O6	S1	O7	120.4°	122.1°
O6	S1	C22	106.3°	111.7°
O6	S1	N4	108.2°	102.8°
O7	S1	C22	110.7°	111.6°
O7	S1	N4	106.5°	102.8°
C22	S1	N4	103.4°	103.1°
S1	C22	C23	114.1°	109.5°
S1	C22	H221	110.5°	109.5°
S1	C22	H222	110.5°	109.5°
S1	N4	C19	120.4°	120.7°
C23	C24	C29	120.7°	120.0°
C23	C24	H24	120.4°	120.0°
C24	C23	C22	120.3°	120.0°
C24	C23	C26	119.2°	120.0°
C29	C24	H24	119.0°	120.0°
C24	C29	C28	119.8°	120.0°
C24	C29	H29	119.8°	120.0°
C22	C23	C26	120.4°	120.0°
C23	C22	H221	110.5°	109.4°
C23	C22	H222	110.5°	109.4°
C23	C26	C27	120.2°	120.0°
C23	C26	H26	119.9°	120.0°
H221	C22	H222	99.8°	109.5°
C27	C26	H26	119.9°	120.0°
C26	C27	C28	120.0°	119.9°
C26	C27	H27	119.9°	120.0°
C28	C27	H27	120.1°	120.0°
C27	C28	C29	120.1°	120.1°
C27	C28	H28	120.1°	119.9°
C29	C28	H28	119.8°	120.0°
C28	C29	H29	120.4°	120.0°
N4	C19	H191	113.3°	110.0°
N4	C19	H192	113.3°	110.1°
H191	C19	H192	97.2°	110.1°
C13	C12	H121	110.6°	109.5°
C13	C12	H122	110.6°	109.5°
C12	C13	H131	110.5°	109.5°
C12	C13	H132	113.9°	109.5°
C12	C13	H133	110.6°	109.5°
H121	C12	H122	99.7°	109.5°
H131	C13	H132	110.6°	109.5°
H131	C13	H133	99.7°	109.4°
H132	C13	H133	110.6°	109.4°
C4	C2	C8	110.3°	109.5°
C4	C2	H2	109.2°	109.5°
C2	C4	C5	109.3°	109.5°
C2	C4	H41	112.3°	109.5°
C2	C4	H42	112.2°	109.5°
C8	C2	H2	106.8°	109.5°
C2	C8	C7	108.3°	109.5°
C2	C8	H81	112.6°	109.5°
C2	C8	H82	112.6°	109.5°
C5	C4	H41	112.3°	109.5°
C5	C4	H42	112.3°	109.5°
C4	C5	C6	109.0°	109.5°
C4	C5	H51	112.4°	109.5°
C4	C5	H52	112.4°	109.5°
H41	C4	H42	98.2°	109.5°
C6	C5	H51	112.4°	109.4°
C6	C5	H52	112.4°	109.5°
C5	C6	N2	110.6°	109.5°
C5	C6	C7	110.3°	109.5°
C5	C6	H6	108.9°	109.4°
H51	C5	H52	98.0°	109.5°
N2	C6	C7	111.6°	109.5°
N2	C6	H6	107.5°	109.5°
C6	N2	HD21	118.3°	106.7°
C6	N2	HD22	118.3°	106.7°
C7	C6	H6	107.8°	109.5°
C6	C7	C8	110.0°	109.5°
C6	C7	H71	112.0°	109.5°
C6	C7	H72	112.0°	109.5°
HD21	N2	HD22	123.3°	106.7°
C8	C7	H71	112.0°	109.5°
C8	C7	H72	112.0°	109.5°
C7	C8	H81	112.6°	109.5°
C7	C8	H82	112.6°	109.5°
H71	C7	H72	98.4°	109.4°
H81	C8	H82	97.8°	109.5°
O1	C3	H3	107.4°	109.5°
C3	O1	HO1	115.3°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C14	HN1	165.7°	179.9°
N1	C1	C2	C3	126.7°	120.0°
N1	C1	C2	H1	115.9°	120.0°
N1	C1	C3	H1	115.9°	120.0°
N1	C1	C3	C9	74.4°	64.1°
C1	N1	C14	O4	5.2°	5.3°
C1	N1	C14	C15	173.4°	174.7°
N1	C1	C2	C4	76.9°	65.6°
N1	C1	C2	C8	47.8°	54.4°
N1	C1	C2	H2	164.6°	174.4°
N1	C1	C3	O1	170.5°	175.9°
N1	C1	C3	H3	51.0°	55.9°
C14	N1	C1	C2	105.4°	85.0°
C14	N1	C1	C3	128.8°	155.0°
C14	N1	C1	H1	11.6°	35.0°
N1	C14	O4	C15	178.5°	180.0°
N1	C14	C15	N3	134.5°	174.3°
N1	C14	C15	C16	113.1°	6.0°
HN1	N1	C1	C2	88.9°	95.0°
HN1	N1	C1	C3	36.9°	24.9°
HN1	N1	C1	H1	154.1°	145.0°
HN1	N1	C14	O4	160.5°	174.7°
HN1	N1	C14	C15	20.9°	5.3°
C2	C1	C3	H1	117.3°	120.0°
C2	C1	C3	C9	158.9°	176.0°
C1	C2	C4	C8	126.2°	120.0°
C1	C2	C4	H2	116.7°	120.0°
C1	C2	C8	H2	116.4°	120.0°
C1	C2	C4	C5	172.6°	180.0°
C1	C2	C4	H41	62.1°	60.0°
C1	C2	C4	H42	47.4°	60.0°
C1	C2	C8	C7	174.3°	180.0°
C1	C2	C8	H81	49.1°	60.0°
C1	C2	C8	H82	60.4°	60.0°
C2	C1	C3	O1	43.7°	56.0°
C2	C1	C3	H3	75.8°	64.1°
C1	C3	C9	O3	85.6°	65.0°
C1	C3	C9	O2	91.6°	115.0°
C1	C3	C9	O1	122.0°	120.0°
C1	C3	C9	H3	118.9°	120.0°
C3	C1	C2	C4	156.4°	174.4°
C3	C1	C2	C8	79.0°	65.5°
C3	C1	C2	H2	37.9°	54.5°
C1	C3	O1	H3	119.4°	120.1°
C1	C3	O1	HO1	180.0°	55.2°
H1	C1	C3	C9	41.5°	56.0°
H1	C1	C2	C4	39.0°	54.4°
H1	C1	C2	C8	163.7°	174.4°
H1	C1	C2	H2	79.5°	65.5°
H1	C1	C3	O1	73.6°	64.0°
H1	C1	C3	H3	166.9°	175.9°
O3	C10	C11	H101	125.3°	119.9°
O3	C10	C11	H102	125.2°	120.0°
O3	C10	H101	H102	115.1°	120.0°
O3	C10	C11	C12	177.3°	180.0°
O3	C10	C11	H111	57.4°	60.0°
O3	C10	C11	H112	52.1°	60.0°
C10	O3	C9	O2	96.6°	0.1°
C10	O3	C9	C3	86.4°	180.0°
C9	O3	C10	C11	172.2°	180.0°
C9	O3	C10	H101	46.9°	60.1°
C9	O3	C10	H102	62.6°	59.9°
O3	C9	O2	C3	177.0°	179.9°
O3	C9	C3	O1	36.4°	175.0°
O3	C9	C3	H3	155.5°	55.0°
C11	C10	H101	H102	115.2°	120.0°
C10	C11	C12	H111	125.3°	120.0°
C10	C11	C12	H112	125.3°	120.0°
C10	C11	H111	H112	116.9°	120.0°
C10	C11	C12	C13	134.7°	180.0°
C10	C11	C12	H121	100.0°	60.0°
C10	C11	C12	H122	9.5°	60.0°
H101	C10	C11	C12	52.1°	60.0°
H101	C10	C11	H111	177.3°	180.0°
H101	C10	C11	H112	73.2°	60.0°
H102	C10	C11	C12	57.4°	60.0°
H102	C10	C11	H111	67.9°	60.0°
H102	C10	C11	H112	177.3°	NaN°
C12	C11	H111	H112	116.9°	120.0°
C11	C12	C13	H121	125.3°	120.0°
C11	C12	C13	H122	125.3°	120.0°
C11	C12	H121	H122	116.4°	120.0°
C11	C12	C13	H131	54.7°	60.0°
C11	C12	C13	H132	180.0°	60.1°
C11	C12	C13	H133	54.8°	180.0°
H111	C11	C12	C13	9.5°	60.0°
H111	C11	C12	H121	134.8°	179.9°
H111	C11	C12	H122	115.8°	60.1°
H112	C11	C12	C13	100.0°	59.9°
H112	C11	C12	H121	25.3°	60.0°
H112	C11	C12	H122	134.7°	180.0°
O2	C9	C3	O1	146.4°	5.0°
O2	C9	C3	H3	27.3°	125.0°
C9	C3	O1	H3	125.4°	120.0°
C9	C3	O1	HO1	64.8°	64.8°
O4	C14	C15	N3	44.1°	5.7°
O4	C14	C15	C16	68.3°	174.0°
C14	C15	C16	C17	127.9°	179.9°
C14	C15	N3	C18	111.8°	179.7°
C14	C15	N3	C16	119.5°	179.7°
C14	C15	N3	C20	67.3°	1.1°
C14	C15	C16	H16	52.1°	0.1°
C18	C17	C16	H17	180.0°	179.9°
C17	C18	N3	C19	119.9°	179.7°
C17	C18	N3	C15	22.1°	0.6°
C17	C18	N3	C20	159.0°	179.3°
C18	C17	C16	C15	24.5°	0.0°
C18	C17	C16	H16	155.5°	180.0°
C17	C18	C19	N4	171.5°	159.5°
C17	C18	C19	H191	46.3°	40.2°
C17	C18	C19	H192	63.2°	81.1°
C16	C17	C18	N3	27.0°	0.4°
C16	C17	C18	C19	138.1°	179.9°
C17	C16	C15	N3	10.5°	0.3°
C17	C16	C15	H16	180.0°	180.0°
H17	C17	C18	N3	153.0°	179.6°
H17	C17	C18	C19	41.9°	0.0°
H17	C17	C16	C15	155.5°	180.0°
H17	C17	C16	H16	24.5°	0.1°
C18	N3	C15	C20	179.0°	178.6°
C18	N3	C15	C16	7.7°	0.6°
C18	N3	C20	C21	2.1°	4.4°
C18	N3	C20	O5	178.6°	175.9°
N3	C18	C19	N4	62.2°	20.9°
N3	C18	C19	H191	63.0°	140.2°
N3	C18	C19	H192	172.5°	98.5°
C19	C18	N3	C15	141.9°	179.7°
C19	C18	N3	C20	39.1°	1.0°
C18	C19	N4	C21	58.9°	47.6°
C18	C19	N4	S1	136.3°	132.4°
C18	C19	N4	H191	125.2°	119.3°
C18	C19	N4	H192	125.3°	119.3°
C18	C19	H191	H192	119.2°	121.3°
N3	C15	C16	H16	169.5°	179.6°
C15	N3	C20	C21	179.0°	177.2°
C15	N3	C20	O5	0.3°	2.5°
C20	N3	C15	C16	173.3°	179.2°
N3	C20	C21	O5	179.4°	179.6°
N3	C20	C21	N4	9.6°	27.8°
N3	C20	C21	H211	115.7°	147.8°
N3	C20	C21	H212	134.8°	92.3°
C20	C21	N4	H211	125.3°	120.0°
C20	C21	N4	H212	125.3°	120.0°
C20	C21	H211	H212	117.7°	120.0°
C20	C21	N4	S1	174.4°	127.8°
C20	C21	N4	C19	20.3°	52.1°
N4	C21	H211	H212	117.6°	120.0°
N4	C21	C20	O5	169.8°	152.6°
C21	N4	S1	O6	27.6°	153.8°
C21	N4	S1	O7	158.4°	26.1°
C21	N4	S1	C22	84.9°	90.0°
C21	N4	S1	C19	165.2°	180.0°
C21	N4	C19	H191	66.3°	166.9°
C21	N4	C19	H192	175.8°	71.7°
H211	C21	C20	O5	65.0°	32.6°
H211	C21	N4	S1	49.2°	7.8°
H211	C21	N4	C19	145.6°	172.1°
H212	C21	C20	O5	44.5°	87.3°
H212	C21	N4	S1	60.3°	112.1°
H212	C21	N4	C19	104.9°	67.9°
O6	S1	O7	C22	124.7°	135.8°
O6	S1	O7	N4	123.5°	114.3°
O6	S1	C22	N4	113.9°	109.7°
O6	S1	C22	C23	167.0°	70.2°
O6	S1	C22	H221	67.7°	49.7°
O6	S1	C22	H222	41.7°	169.8°
O6	S1	N4	C19	167.2°	26.2°
O7	S1	C22	N4	113.8°	109.7°
O7	S1	C22	C23	60.6°	70.3°
O7	S1	C22	H221	64.6°	169.7°
O7	S1	C22	H222	174.1°	49.7°
O7	S1	N4	C19	36.4°	153.8°
S1	C22	C23	C24	66.1°	90.0°
S1	C22	C23	H221	125.3°	120.0°
S1	C22	C23	H222	125.3°	120.1°
S1	C22	C23	C26	109.6°	90.2°
S1	C22	H221	H222	116.4°	120.1°
C22	S1	N4	C19	80.3°	90.0°
N4	S1	C22	C23	53.1°	180.0°
N4	S1	C22	H221	178.4°	60.0°
N4	S1	C22	H222	72.2°	60.0°
S1	N4	C19	H191	98.5°	13.1°
S1	N4	C19	H192	11.0°	108.4°
C23	C24	C29	H24	180.0°	179.9°
C24	C23	C22	C26	175.8°	179.8°
C24	C23	C22	H221	59.1°	30.0°
C24	C23	C22	H222	168.6°	150.0°
C24	C23	C26	C27	0.5°	0.4°
C24	C23	C26	H26	179.5°	179.9°
C23	C24	C29	C28	0.1°	0.1°
C23	C24	C29	H29	180.0°	180.0°
C29	C24	C23	C22	175.3°	179.9°
C29	C24	C23	C26	0.5°	0.3°
C24	C29	C28	C27	0.3°	0.0°
C24	C29	C28	H29	180.0°	180.0°
C24	C29	C28	H28	179.7°	179.9°
H24	C24	C23	C22	4.6°	0.0°
H24	C24	C23	C26	179.6°	179.8°
H24	C24	C29	C28	180.0°	180.0°
H24	C24	C29	H29	0.0°	0.1°
C23	C22	H221	H222	116.3°	119.9°
C22	C23	C26	C27	175.3°	179.8°
C22	C23	C26	H26	4.7°	0.1°
C26	C23	C22	H221	125.1°	149.8°
C26	C23	C22	H222	15.6°	29.8°
C23	C26	C27	H26	180.0°	179.7°
C23	C26	C27	C28	0.1°	0.4°
C23	C26	C27	H27	179.9°	179.8°
C26	C27	C28	H27	180.0°	179.9°
C26	C27	C28	C29	0.3°	0.2°
C26	C27	C28	H28	179.7°	179.9°
H26	C26	C27	C28	179.9°	180.0°
H26	C26	C27	H27	0.1°	0.1°
C27	C28	C29	H28	180.0°	179.9°
C27	C28	C29	H29	179.7°	180.0°
H27	C27	C28	C29	179.7°	180.0°
H27	C27	C28	H28	0.3°	0.0°
H28	C28	C29	H29	0.3°	0.1°
N4	C19	H191	H192	119.2°	121.5°
C13	C12	H121	H122	116.4°	120.0°
C12	C13	H131	H132	127.1°	120.1°
C12	C13	H131	H133	116.4°	120.0°
C12	C13	H132	H133	125.3°	120.0°
H121	C12	C13	H131	180.0°	59.9°
H121	C12	C13	H132	54.8°	180.0°
H121	C12	C13	H133	70.5°	60.0°
H122	C12	C13	H131	70.6°	179.9°
H122	C12	C13	H132	54.7°	60.0°
H122	C12	C13	H133	180.0°	60.0°
H131	C13	H132	H133	109.5°	120.0°
C4	C2	C8	H2	118.6°	120.0°
C2	C4	C5	H41	125.3°	120.0°
C2	C4	C5	H42	125.2°	120.0°
C2	C4	H41	H42	118.2°	120.0°
C2	C4	C5	C6	59.1°	60.0°
C2	C4	C5	H51	175.6°	60.0°
C2	C4	C5	H52	66.2°	180.0°
C4	C2	C8	C7	60.7°	60.0°
C4	C2	C8	H81	174.0°	60.0°
C4	C2	C8	H82	64.5°	180.0°
C8	C2	C4	C5	61.2°	60.0°
C8	C2	C4	H41	64.1°	180.0°
C8	C2	C4	H42	173.6°	60.0°
C2	C8	C7	C6	59.5°	60.0°
C2	C8	C7	H81	125.3°	120.0°
C2	C8	C7	H82	125.3°	120.0°
C2	C8	C7	H71	175.3°	60.0°
C2	C8	C7	H72	65.8°	180.0°
C2	C8	H81	H82	118.6°	120.0°
H2	C2	C4	C5	55.9°	60.0°
H2	C2	C4	H41	178.8°	60.0°
H2	C2	C4	H42	69.3°	180.0°
H2	C2	C8	C7	57.9°	60.0°
H2	C2	C8	H81	67.4°	180.0°
H2	C2	C8	H82	176.9°	60.0°
C5	C4	H41	H42	118.2°	120.0°
C4	C5	C6	H51	125.3°	120.0°
C4	C5	C6	H52	125.3°	120.0°
C4	C5	H51	H52	118.3°	120.1°
C4	C5	C6	N2	177.3°	60.0°
C4	C5	C6	C7	58.7°	60.0°
C4	C5	C6	H6	59.4°	180.0°
H41	C4	C5	C6	66.2°	180.0°
H41	C4	C5	H51	59.1°	60.1°
H41	C4	C5	H52	168.6°	60.0°
H42	C4	C5	C6	175.6°	60.0°
H42	C4	C5	H51	50.4°	180.0°
H42	C4	C5	H52	59.1°	60.0°
C6	C5	H51	H52	118.3°	120.0°
C5	C6	N2	C7	123.2°	120.0°
C5	C6	N2	H6	118.7°	119.9°
C5	C6	C7	H6	118.8°	119.9°
C5	C6	N2	HD21	147.0°	180.0°
C5	C6	N2	HD22	37.5°	66.2°
C5	C6	C7	C8	59.4°	60.0°
C5	C6	C7	H71	175.4°	60.0°
C5	C6	C7	H72	65.9°	180.0°
H51	C5	C6	N2	52.0°	180.0°
H51	C5	C6	C7	176.0°	60.0°
H51	C5	C6	H6	65.9°	60.0°
H52	C5	C6	N2	57.4°	60.0°
H52	C5	C6	C7	66.6°	180.0°
H52	C5	C6	H6	175.3°	60.0°
N2	C6	C7	H6	117.8°	120.1°
C6	N2	HD21	HD22	175.3°	113.8°
N2	C6	C7	C8	177.2°	60.0°
N2	C6	C7	H71	51.9°	180.0°
N2	C6	C7	H72	57.5°	60.0°
C7	C6	N2	HD21	23.7°	60.0°
C7	C6	N2	HD22	160.7°	173.8°
C6	C7	C8	H71	125.2°	120.1°
C6	C7	C8	H72	125.3°	120.0°
C6	C7	H71	H72	117.9°	120.0°
C6	C7	C8	H81	175.3°	60.0°
C6	C7	C8	H82	65.8°	180.0°
H6	C6	N2	HD21	94.3°	60.1°
H6	C6	N2	HD22	81.2°	53.7°
H6	C6	C7	C8	59.4°	180.0°
H6	C6	C7	H71	65.9°	59.9°
H6	C6	C7	H72	175.4°	60.0°
C8	C7	H71	H72	117.9°	120.0°
C7	C8	H81	H82	118.5°	120.0°
H71	C7	C8	H81	50.0°	180.0°
H71	C7	C8	H82	59.4°	60.0°
H72	C7	C8	H81	59.4°	60.0°
H72	C7	C8	H82	168.9°	60.0°
H3	C3	O1	HO1	60.6°	175.2°

Definition date:	2000-11-07
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ