Obsolete: 450

450 was replaced with DMQ on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.22Å
C1	N2	sing	1.45Å	1.34Å
C1	N7	sing	1.47Å	1.37Å
C1	H1	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
N2	C2	sing	1.47Å	1.50Å
N2	C3	sing	1.47Å	1.49Å
C2	C20	sing	1.51Å	1.50Å
C2	H21A	sing	1.09Å	1.12Å
C2	H22A	sing	1.09Å	1.12Å
C3	C4	sing	1.46Å	1.50Å
C3	C31	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.12Å
C4	O4	sing	1.43Å	1.39Å
C4	C5	sing	1.56Å	1.51Å
C4	H4	sing	1.09Å	1.12Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.38Å
C5	C6	sing	1.51Å	1.52Å
C5	H5	sing	1.09Å	1.11Å
O5	HO5	sing	0.97Å	0.95Å
C6	N7	sing	1.47Å	1.50Å
C6	C61	sing	1.53Å	1.57Å
C6	H6	sing	1.09Å	1.11Å
N7	C7	sing	1.47Å	1.49Å
C7	C70	sing	1.51Å	1.51Å
C7	H71A	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
C20	C21	doub	1.38Å	1.40Å	Aromatic
C20	C29	sing	1.38Å	1.40Å	Aromatic
C21	C22	sing	1.38Å	1.41Å	Aromatic
C21	H21	sing	1.08Å	1.10Å
C22	C23	doub	1.38Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C23	C28	sing	1.39Å	1.42Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
C28	N29	sing	1.40Å	1.42Å
C28	C29	doub	1.39Å	1.41Å	Aromatic
N29	HN21	sing	0.97Å	1.02Å
N29	HN22	sing	0.97Å	1.02Å
C29	H29	sing	1.08Å	1.10Å
C31	C32	sing	1.51Å	1.52Å
C31	H311	sing	1.09Å	1.11Å
C31	H312	sing	1.09Å	1.11Å
C32	C33	doub	1.38Å	1.42Å	Aromatic
C32	C37	sing	1.38Å	1.42Å	Aromatic
C33	C34	sing	1.38Å	1.40Å	Aromatic
C33	H33	sing	1.08Å	1.10Å
C34	C35	doub	1.38Å	1.40Å	Aromatic
C34	H34	sing	1.08Å	1.10Å
C35	C36	sing	1.38Å	1.41Å	Aromatic
C35	H35	sing	1.08Å	1.10Å
C36	C37	doub	1.38Å	1.41Å	Aromatic
C36	H36	sing	1.08Å	1.10Å
C37	H37	sing	1.08Å	1.10Å
C61	C62	sing	1.51Å	1.53Å
C61	H611	sing	1.09Å	1.11Å
C61	H612	sing	1.09Å	1.12Å
C62	C63	doub	1.38Å	1.41Å	Aromatic
C62	C67	sing	1.38Å	1.42Å	Aromatic
C63	C64	sing	1.38Å	1.41Å	Aromatic
C63	H63	sing	1.08Å	1.10Å
C64	C65	doub	1.38Å	1.41Å	Aromatic
C64	H64	sing	1.08Å	1.10Å
C65	C66	sing	1.38Å	1.41Å	Aromatic
C65	H65	sing	1.08Å	1.10Å
C66	C67	doub	1.38Å	1.41Å	Aromatic
C66	H66	sing	1.08Å	1.10Å
C67	H67	sing	1.08Å	1.10Å
C70	C71	doub	1.38Å	1.41Å	Aromatic
C70	C79	sing	1.38Å	1.42Å	Aromatic
C71	C72	sing	1.39Å	1.41Å	Aromatic
C71	H71	sing	1.08Å	1.10Å
C72	N79	sing	1.40Å	1.43Å
C72	C77	doub	1.39Å	1.41Å	Aromatic
N79	HN71	sing	0.97Å	1.02Å
N79	HN72	sing	0.97Å	1.02Å
C77	C78	sing	1.38Å	1.42Å	Aromatic
C77	H77	sing	1.08Å	1.10Å
C78	C79	doub	1.38Å	1.41Å	Aromatic
C78	H78	sing	1.08Å	1.10Å
C79	H79	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N2	114.9°	109.3°
O1	C1	N7	120.7°	109.2°
O1	C1	H1	143.2°	109.2°
C1	O1	HO1	114.9°	106.8°
N2	C1	N7	124.4°	110.8°
N2	C1	H1	99.4°	109.3°
C1	N2	C2	117.3°	106.6°
C1	N2	C3	122.0°	103.9°
N7	C1	H1	28.5°	109.2°
C1	N7	C6	125.5°	113.0°
C1	N7	C7	118.3°	106.7°
C2	N2	C3	120.1°	106.6°
N2	C2	C20	115.0°	109.5°
N2	C2	H21A	110.2°	109.5°
N2	C2	H22A	110.2°	109.5°
N2	C3	C4	118.2°	114.9°
N2	C3	C31	110.1°	108.3°
N2	C3	H3	105.3°	108.4°
C20	C2	H21A	110.2°	109.4°
C20	C2	H22A	110.2°	109.4°
C2	C20	C21	119.8°	120.0°
C2	C20	C29	120.7°	119.9°
H21A	C2	H22A	100.0°	109.5°
C4	C3	C31	116.3°	108.4°
C4	C3	H3	97.0°	108.3°
C3	C4	O4	103.1°	109.4°
C3	C4	C5	114.9°	109.7°
C3	C4	H4	111.2°	109.4°
C31	C3	H3	107.9°	108.4°
C3	C31	C32	108.4°	109.5°
C3	C31	H311	112.6°	109.4°
C3	C31	H312	112.6°	109.4°
O4	C4	C5	112.2°	109.4°
O4	C4	H4	114.0°	109.4°
C4	O4	HO4	103.1°	106.8°
C5	C4	H4	101.9°	109.4°
C4	C5	O5	106.1°	109.7°
C4	C5	C6	114.3°	108.8°
C4	C5	H5	107.8°	109.6°
O5	C5	C6	107.0°	109.6°
O5	C5	H5	115.0°	109.6°
C5	O5	HO5	106.0°	106.8°
C6	C5	H5	106.9°	109.6°
C5	C6	N7	117.3°	114.7°
C5	C6	C61	116.7°	108.3°
C5	C6	H6	97.3°	108.5°
N7	C6	C61	109.1°	108.4°
N7	C6	H6	107.0°	108.5°
C6	N7	C7	115.4°	106.7°
C61	C6	H6	107.9°	108.3°
C6	C61	C62	114.3°	109.4°
C6	C61	H611	110.4°	109.5°
C6	C61	H612	110.5°	109.5°
N7	C7	C70	119.3°	109.5°
N7	C7	H71A	108.7°	109.5°
N7	C7	H72	108.7°	109.5°
C70	C7	H71A	108.7°	109.4°
C70	C7	H72	108.7°	109.5°
C7	C70	C71	119.1°	120.0°
C7	C70	C79	120.6°	120.0°
H71A	C7	H72	101.3°	109.5°
C21	C20	C29	119.5°	120.1°
C20	C21	C22	122.2°	120.1°
C20	C21	H21	118.9°	119.9°
C20	C29	C28	119.0°	119.9°
C20	C29	H29	120.1°	120.1°
C22	C21	H21	118.9°	120.0°
C21	C22	C23	118.2°	120.1°
C21	C22	H22	121.2°	120.0°
C23	C22	H22	120.6°	119.9°
C22	C23	C28	120.3°	119.9°
C22	C23	H23	119.2°	120.0°
C28	C23	H23	120.5°	120.1°
C23	C28	N29	118.4°	120.0°
C23	C28	C29	120.8°	119.9°
N29	C28	C29	120.4°	120.1°
C28	N29	HN21	118.4°	120.0°
C28	N29	HN22	109.0°	120.0°
C28	C29	H29	120.9°	120.1°
HN21	N29	HN22	109.0°	120.0°
C32	C31	H311	112.6°	109.5°
C32	C31	H312	112.6°	109.5°
C31	C32	C33	120.8°	120.0°
C31	C32	C37	119.4°	119.9°
H311	C31	H312	97.9°	109.5°
C33	C32	C37	119.8°	120.0°
C32	C33	C34	120.5°	120.0°
C32	C33	H33	120.4°	120.0°
C32	C37	C36	119.8°	120.0°
C32	C37	H37	120.5°	120.0°
C34	C33	H33	119.1°	120.0°
C33	C34	C35	119.2°	120.0°
C33	C34	H34	120.3°	120.0°
C35	C34	H34	120.5°	120.0°
C34	C35	C36	121.5°	120.0°
C34	C35	H35	118.9°	120.0°
C36	C35	H35	119.6°	120.0°
C35	C36	C37	119.1°	120.0°
C35	C36	H36	120.6°	120.0°
C37	C36	H36	120.3°	120.0°
C36	C37	H37	119.7°	120.0°
C62	C61	H611	110.5°	109.5°
C62	C61	H612	110.4°	109.4°
C61	C62	C63	120.1°	120.0°
C61	C62	C67	120.3°	120.0°
H611	C61	H612	99.8°	109.5°
C63	C62	C67	119.5°	120.0°
C62	C63	C64	120.5°	119.9°
C62	C63	H63	119.9°	120.0°
C62	C67	C66	120.5°	120.0°
C62	C67	H67	120.1°	120.0°
C64	C63	H63	119.6°	120.1°
C63	C64	C65	119.6°	120.0°
C63	C64	H64	120.1°	119.9°
C65	C64	H64	120.3°	120.0°
C64	C65	C66	121.0°	120.0°
C64	C65	H65	119.3°	120.0°
C66	C65	H65	119.6°	120.0°
C65	C66	C67	118.9°	120.0°
C65	C66	H66	120.6°	120.0°
C67	C66	H66	120.5°	120.0°
C66	C67	H67	119.4°	120.0°
C71	C70	C79	120.1°	120.0°
C70	C71	C72	120.2°	120.0°
C70	C71	H71	120.1°	120.0°
C70	C79	C78	120.0°	120.2°
C70	C79	H79	120.2°	119.9°
C72	C71	H71	119.7°	119.9°
C71	C72	N79	120.6°	120.2°
C71	C72	C77	119.6°	119.8°
N79	C72	C77	119.8°	120.1°
C72	N79	HN71	120.6°	120.1°
C72	N79	HN72	108.2°	120.0°
C72	C77	C78	120.7°	119.9°
C72	C77	H77	119.2°	120.0°
HN71	N79	HN72	108.2°	120.0°
C78	C77	H77	120.1°	120.1°
C77	C78	C79	119.4°	120.1°
C77	C78	H78	120.8°	119.9°
C79	C78	H78	119.9°	120.0°
C78	C79	H79	119.8°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N2	N7	178.6°	120.3°
O1	C1	N2	H1	166.5°	119.4°
O1	C1	N7	H1	149.3°	119.3°
O1	C1	N2	C2	13.8°	27.8°
O1	C1	N2	C3	157.8°	140.2°
O1	C1	N7	C6	145.0°	162.6°
O1	C1	N7	C7	23.9°	45.7°
N2	C1	N7	H1	32.2°	120.4°
N2	C1	O1	HO1	180.0°	180.0°
C1	N2	C2	C3	171.8°	110.6°
C1	N2	C2	C20	129.9°	149.0°
C1	N2	C2	H21A	104.8°	91.0°
C1	N2	C2	H22A	4.6°	29.0°
C1	N2	C3	C4	66.4°	87.2°
C1	N2	C3	C31	70.7°	151.4°
C1	N2	C3	H3	173.3°	34.0°
N2	C1	N7	C6	36.4°	42.3°
N2	C1	N7	C7	154.7°	74.7°
N7	C1	O1	HO1	1.3°	58.7°
N7	C1	N2	C2	167.6°	148.1°
N7	C1	N2	C3	20.8°	99.5°
C1	N7	C6	C5	66.0°	44.7°
C1	N7	C6	C7	169.2°	117.0°
C1	N7	C6	C61	69.5°	165.8°
C1	N7	C6	H6	174.0°	76.8°
C1	N7	C7	C70	144.3°	78.0°
C1	N7	C7	H71A	90.4°	42.0°
C1	N7	C7	H72	19.0°	162.0°
H1	C1	O1	HO1	22.7°	60.5°
H1	C1	N2	C2	152.7°	91.6°
H1	C1	N2	C3	35.7°	20.9°
H1	C1	N7	C6	4.3°	78.1°
H1	C1	N7	C7	173.2°	164.9°
N2	C2	C20	H21A	125.3°	120.0°
N2	C2	C20	H22A	125.3°	120.0°
N2	C2	H21A	H22A	116.0°	120.1°
C2	N2	C3	C4	122.2°	160.3°
C2	N2	C3	C31	100.7°	39.0°
C2	N2	C3	H3	15.3°	78.4°
N2	C2	C20	C21	49.5°	76.4°
N2	C2	C20	C29	128.7°	103.4°
C3	N2	C2	C20	58.3°	100.4°
C3	N2	C2	H21A	66.9°	19.5°
C3	N2	C2	H22A	176.4°	139.6°
N2	C3	C4	C31	134.5°	121.3°
N2	C3	C4	H3	111.6°	121.3°
N2	C3	C31	H3	114.4°	117.4°
N2	C3	C4	O4	165.0°	58.1°
N2	C3	C4	C5	72.6°	61.9°
N2	C3	C4	H4	42.5°	178.0°
N2	C3	C31	C32	76.6°	178.6°
N2	C3	C31	H311	158.1°	61.4°
N2	C3	C31	H312	48.6°	58.5°
C20	C2	H21A	H22A	116.0°	120.0°
C2	C20	C21	C29	178.2°	179.8°
C2	C20	C21	C22	178.4°	180.0°
C2	C20	C21	H21	1.7°	0.0°
C2	C20	C29	C28	177.0°	179.7°
C2	C20	C29	H29	3.0°	0.2°
H21A	C2	C20	C21	174.8°	163.6°
H21A	C2	C20	C29	3.4°	16.6°
H22A	C2	C20	C21	75.8°	43.6°
H22A	C2	C20	C29	106.0°	136.6°
C4	C3	C31	H3	107.6°	117.4°
C3	C4	O4	C5	124.2°	120.3°
C3	C4	O4	H4	120.6°	119.9°
C3	C4	C5	H4	120.3°	120.1°
C3	C4	O4	HO4	180.0°	179.8°
C3	C4	C5	O5	178.8°	49.9°
C3	C4	C5	C6	61.2°	70.0°
C3	C4	C5	H5	57.5°	170.2°
C4	C3	C31	C32	145.4°	56.1°
C4	C3	C31	H311	20.1°	63.9°
C4	C3	C31	H312	89.4°	176.2°
C31	C3	C4	O4	60.5°	63.2°
C31	C3	C4	C5	61.9°	176.7°
C31	C3	C4	H4	177.0°	56.7°
C3	C31	C32	H311	125.3°	120.0°
C3	C31	C32	H312	125.2°	120.0°
C3	C31	H311	H312	118.5°	119.9°
C3	C31	C32	C33	109.1°	95.9°
C3	C31	C32	C37	69.1°	84.3°
H3	C3	C4	O4	53.4°	179.4°
H3	C3	C4	C5	175.8°	59.4°
H3	C3	C4	H4	69.1°	60.7°
H3	C3	C31	C32	37.8°	61.2°
H3	C3	C31	H311	87.5°	178.8°
H3	C3	C31	H312	163.0°	58.8°
O4	C4	C5	H4	122.3°	119.9°
O4	C4	C5	O5	63.8°	169.9°
O4	C4	C5	C6	178.6°	50.1°
O4	C4	C5	H5	59.9°	69.7°
C5	C4	O4	HO4	55.8°	59.9°
C4	C5	O5	C6	122.4°	119.4°
C4	C5	O5	H5	119.1°	120.4°
C4	C5	C6	H5	119.2°	119.8°
C4	C5	O5	HO5	180.0°	60.6°
C4	C5	C6	N7	60.7°	91.1°
C4	C5	C6	C61	71.5°	147.6°
C4	C5	C6	H6	174.2°	30.3°
H4	C4	O4	HO4	59.4°	59.9°
H4	C4	C5	O5	58.5°	70.2°
H4	C4	C5	C6	59.1°	169.9°
H4	C4	C5	H5	177.8°	50.1°
O5	C5	C6	H5	123.7°	120.3°
O5	C5	C6	N7	177.8°	28.8°
O5	C5	C6	C61	45.6°	92.4°
O5	C5	C6	H6	68.7°	150.2°
C6	C5	O5	HO5	57.6°	180.0°
C5	C6	N7	C61	135.6°	121.1°
C5	C6	N7	H6	107.9°	121.4°
C5	C6	C61	H6	108.2°	117.5°
C5	C6	N7	C7	124.8°	161.6°
C5	C6	C61	C62	159.0°	163.8°
C5	C6	C61	H611	33.7°	43.8°
C5	C6	C61	H612	75.8°	76.2°
H5	C5	O5	HO5	61.0°	59.7°
H5	C5	C6	N7	58.5°	149.1°
H5	C5	C6	C61	169.3°	27.8°
H5	C5	C6	H6	55.0°	89.5°
N7	C6	C61	H6	116.0°	117.5°
C6	N7	C7	C70	45.7°	161.0°
C6	N7	C7	H71A	79.6°	79.1°
C6	N7	C7	H72	171.0°	41.0°
N7	C6	C61	C62	65.2°	71.2°
N7	C6	C61	H611	169.6°	168.8°
N7	C6	C61	H612	60.1°	48.8°
C61	C6	N7	C7	99.7°	77.3°
C6	C61	C62	H611	125.3°	120.0°
C6	C61	C62	H612	125.3°	120.0°
C6	C61	H611	H612	116.3°	120.0°
C6	C61	C62	C63	76.9°	71.0°
C6	C61	C62	C67	99.5°	109.3°
H6	C6	N7	C7	16.9°	40.2°
H6	C6	C61	C62	50.8°	46.3°
H6	C6	C61	H611	74.5°	73.7°
H6	C6	C61	H612	176.0°	166.3°
N7	C7	C70	H71A	125.3°	120.0°
N7	C7	C70	H72	125.3°	120.0°
N7	C7	H71A	H72	114.3°	120.1°
N7	C7	C70	C71	121.0°	66.5°
N7	C7	C70	C79	63.3°	113.8°
C70	C7	H71A	H72	114.4°	120.0°
C7	C70	C71	C79	175.7°	179.7°
C7	C70	C71	C72	174.4°	179.7°
C7	C70	C71	H71	5.6°	0.2°
C7	C70	C79	C78	175.0°	180.0°
C7	C70	C79	H79	5.0°	0.1°
H71A	C7	C70	C71	4.3°	173.5°
H71A	C7	C70	C79	171.4°	6.1°
H72	C7	C70	C71	113.7°	53.5°
H72	C7	C70	C79	61.9°	126.1°
C20	C21	C22	H21	179.9°	179.9°
C20	C21	C22	C23	0.7°	0.1°
C20	C21	C22	H22	179.2°	180.0°
C21	C20	C29	C28	1.2°	0.5°
C21	C20	C29	H29	178.8°	180.0°
C29	C20	C21	C22	0.2°	0.2°
C29	C20	C21	H21	179.9°	179.7°
C20	C29	C28	C23	2.1°	0.5°
C20	C29	C28	N29	170.3°	179.8°
C20	C29	C28	H29	180.0°	179.5°
C21	C22	C23	H22	179.9°	179.9°
C21	C22	C23	C28	0.1°	0.1°
C21	C22	C23	H23	179.9°	179.9°
H21	C21	C22	C23	179.3°	180.0°
H21	C21	C22	H22	0.7°	0.1°
C22	C23	C28	H23	180.0°	180.0°
C22	C23	C28	N29	171.0°	179.9°
C22	C23	C28	C29	1.5°	0.2°
H22	C22	C23	C28	179.9°	179.9°
H22	C22	C23	H23	0.1°	0.1°
C23	C28	N29	C29	172.6°	179.7°
C23	C28	N29	HN21	180.0°	0.0°
C23	C28	N29	HN22	54.7°	179.7°
C23	C28	C29	H29	177.9°	180.0°
H23	C23	C28	N29	9.0°	0.1°
H23	C23	C28	C29	178.4°	179.8°
C28	N29	HN21	HN22	125.3°	179.7°
N29	C28	C29	H29	9.7°	0.3°
C29	C28	N29	HN21	7.4°	179.7°
C29	C28	N29	HN22	117.9°	0.6°
C32	C31	H311	H312	118.5°	120.0°
C31	C32	C33	C37	178.1°	179.7°
C31	C32	C33	C34	178.6°	180.0°
C31	C32	C33	H33	1.4°	0.0°
C31	C32	C37	C36	178.0°	179.8°
C31	C32	C37	H37	2.0°	0.2°
H311	C31	C32	C33	125.7°	24.1°
H311	C31	C32	C37	56.2°	155.7°
H312	C31	C32	C33	16.2°	144.1°
H312	C31	C32	C37	165.7°	35.7°
C32	C33	C34	H33	180.0°	179.9°
C32	C33	C34	C35	0.8°	0.1°
C32	C33	C34	H34	179.3°	180.0°
C33	C32	C37	C36	0.2°	0.5°
C33	C32	C37	H37	179.8°	179.9°
C37	C32	C33	C34	0.5°	0.3°
C37	C32	C33	H33	179.5°	179.8°
C32	C37	C36	C35	0.6°	0.4°
C32	C37	C36	H37	179.9°	179.6°
C32	C37	C36	H36	179.4°	179.8°
C33	C34	C35	H34	180.0°	180.0°
C33	C34	C35	C36	0.3°	0.0°
C33	C34	C35	H35	179.6°	180.0°
H33	C33	C34	C35	179.2°	180.0°
H33	C33	C34	H34	0.7°	0.0°
C34	C35	C36	H35	180.0°	180.0°
C34	C35	C36	C37	0.3°	0.2°
C34	C35	C36	H36	179.6°	180.0°
H34	C34	C35	C36	179.7°	180.0°
H34	C34	C35	H35	0.3°	0.1°
C35	C36	C37	H36	180.0°	179.8°
C35	C36	C37	H37	179.4°	180.0°
H35	C35	C36	C37	179.7°	179.8°
H35	C35	C36	H36	0.4°	0.0°
H36	C36	C37	H37	0.6°	0.2°
C62	C61	H611	H612	116.2°	120.0°
C61	C62	C63	C67	176.4°	179.6°
C61	C62	C63	C64	175.5°	180.0°
C61	C62	C63	H63	4.5°	0.1°
C61	C62	C67	C66	175.6°	179.8°
C61	C62	C67	H67	4.5°	0.3°
H611	C61	C62	C63	48.4°	49.0°
H611	C61	C62	C67	135.2°	130.6°
H612	C61	C62	C63	157.8°	169.0°
H612	C61	C62	C67	25.8°	10.7°
C62	C63	C64	H63	180.0°	179.9°
C62	C63	C64	C65	0.4°	0.1°
C62	C63	C64	H64	179.6°	179.9°
C63	C62	C67	C66	0.8°	0.6°
C63	C62	C67	H67	179.1°	179.9°
C67	C62	C63	C64	0.9°	0.4°
C67	C62	C63	H63	179.0°	179.7°
C62	C67	C66	C65	0.2°	0.5°
C62	C67	C66	H67	180.0°	179.5°
C62	C67	C66	H66	179.8°	179.7°
C63	C64	C65	H64	180.0°	180.0°
C63	C64	C65	C66	0.3°	0.0°
C63	C64	C65	H65	179.7°	180.0°
H63	C63	C64	C65	179.6°	180.0°
H63	C63	C64	H64	0.4°	0.1°
C64	C65	C66	H65	180.0°	180.0°
C64	C65	C66	C67	0.4°	0.2°
C64	C65	C66	H66	179.6°	180.0°
H64	C64	C65	C66	179.7°	180.0°
H64	C64	C65	H65	0.3°	0.0°
C65	C66	C67	H66	180.0°	179.8°
C65	C66	C67	H67	179.8°	180.0°
H65	C65	C66	C67	179.6°	179.8°
H65	C65	C66	H66	0.4°	0.0°
H66	C66	C67	H67	0.2°	0.2°
C70	C71	C72	H71	180.0°	179.5°
C70	C71	C72	N79	178.1°	179.7°
C70	C71	C72	C77	0.9°	0.5°
C71	C70	C79	C78	0.6°	0.4°
C71	C70	C79	H79	179.4°	179.7°
C79	C70	C71	C72	1.3°	0.6°
C79	C70	C71	H71	178.7°	179.9°
C70	C79	C78	C77	0.4°	0.0°
C70	C79	C78	H79	180.0°	179.9°
C70	C79	C78	H78	179.6°	180.0°
C71	C72	N79	C77	179.0°	179.8°
C71	C72	N79	HN71	180.0°	179.8°
C71	C72	N79	HN72	54.8°	0.2°
C71	C72	C77	C78	0.2°	0.2°
C71	C72	C77	H77	179.8°	179.7°
H71	C71	C72	N79	1.9°	0.2°
H71	C71	C72	C77	179.1°	180.0°
C72	N79	HN71	HN72	125.2°	180.0°
N79	C72	C77	C78	179.2°	180.0°
N79	C72	C77	H77	0.8°	0.0°
C77	C72	N79	HN71	1.0°	0.0°
C77	C72	N79	HN72	124.2°	180.0°
C72	C77	C78	H77	180.0°	179.9°
C72	C77	C78	C79	0.9°	0.0°
C72	C77	C78	H78	179.2°	180.0°
C77	C78	C79	H78	180.0°	180.0°
C77	C78	C79	H79	179.6°	179.9°
H77	C77	C78	C79	179.1°	180.0°
H77	C77	C78	H78	0.9°	0.0°
H78	C78	C79	H79	0.4°	0.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	DMQ
Derived from:	1DMP