67D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	N2	sing	1.34Å	1.36Å	Aromatic
C3	C7	doub	1.35Å	1.39Å	Aromatic
N2	C6	doub	1.32Å	1.34Å	Aromatic
C7	N1	sing	1.37Å	1.34Å	Aromatic
C6	N1	sing	1.38Å	1.33Å	Aromatic
C6	C5	sing	1.46Å	1.47Å	Aromatic
N1	C2	sing	1.36Å	1.36Å	Aromatic
C5	N7	sing	1.35Å	1.34Å	Aromatic
C5	C4	doub	1.40Å	1.44Å	Aromatic
N7	C8	doub	1.30Å	1.37Å	Aromatic
C2	N3	doub	1.30Å	1.36Å	Aromatic
C4	N3	sing	1.34Å	1.36Å	Aromatic
C4	N9	sing	1.37Å	1.33Å	Aromatic
C8	N9	sing	1.36Å	1.36Å	Aromatic
N9	C1'	sing	1.47Å	1.46Å
C1'	C2'	sing	1.55Å	1.52Å
C1'	O4'	sing	1.44Å	1.40Å
O2'	C2'	sing	1.43Å	1.41Å
C2'	C3'	sing	1.55Å	1.54Å
O4'	C4'	sing	1.44Å	1.45Å
C3'	C4'	sing	1.54Å	1.54Å
C3'	O3'	sing	1.43Å	1.43Å
C4'	C5'	sing	1.53Å	1.50Å
C5'	O5'	sing	1.43Å	1.43Å
O13	C9	doub	1.21Å	1.21Å
O5'	S	sing	1.52Å	1.54Å
O3P	S	doub	1.42Å	1.44Å
C23	N22	sing	1.37Å	1.36Å	Aromatic
C23	C19	doub	1.34Å	1.39Å	Aromatic
S	N	sing	1.66Å	1.59Å
S	O2P	doub	1.42Å	1.43Å
C11	C19	sing	1.51Å	1.51Å
C11	C10	sing	1.53Å	1.52Å
C9	N	sing	1.35Å	1.32Å
C9	C10	sing	1.51Å	1.50Å
N22	C21	sing	1.38Å	1.35Å	Aromatic
C19	C20	sing	1.47Å	1.49Å	Aromatic
C21	C20	doub	1.41Å	1.48Å	Aromatic
C21	C36	sing	1.39Å	1.39Å	Aromatic
C20	C39	sing	1.40Å	1.40Å	Aromatic
C36	C37	doub	1.38Å	1.39Å	Aromatic
C39	C38	doub	1.37Å	1.39Å	Aromatic
C37	C38	sing	1.39Å	1.39Å	Aromatic
N	H1	sing	0.97Å	1.00Å
C7	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C1'	H10	sing	1.09Å	1.10Å
C2'	H11	sing	1.09Å	1.10Å
O2'	H12	sing	0.97Å	0.95Å
C3'	H13	sing	1.09Å	1.10Å
O3'	H14	sing	0.97Å	0.95Å
C4'	H15	sing	1.09Å	1.10Å
C5'	H16	sing	1.09Å	1.10Å
C5'	H17	sing	1.09Å	1.10Å
N22	H18	sing	0.97Å	1.00Å
C23	H19	sing	1.08Å	1.08Å
C36	H20	sing	1.08Å	1.08Å
C37	H21	sing	1.08Å	1.08Å
C38	H22	sing	1.08Å	1.08Å
C39	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C3	C7	109.7°	108.6°
C3	N2	C6	102.6°	109.2°
N2	C3	H3	125.1°	125.7°
C3	C7	N1	107.4°	107.2°
C3	C7	H2	126.3°	126.4°
C7	C3	H3	125.1°	125.7°
N2	C6	N1	114.9°	108.3°
N2	C6	C5	124.8°	134.1°
C7	N1	C6	105.4°	106.7°
C7	N1	C2	134.7°	133.5°
N1	C7	H2	126.3°	126.4°
N1	C6	C5	120.3°	117.6°
C6	N1	C2	119.9°	119.8°
C6	C5	N7	130.6°	134.8°
C6	C5	C4	117.4°	117.8°
N1	C2	N3	123.1°	122.5°
N1	C2	H4	118.4°	118.7°
N7	C5	C4	111.9°	107.4°
C5	N7	C8	103.1°	109.4°
C5	C4	N3	117.9°	119.8°
C5	C4	N9	103.8°	105.9°
N7	C8	N9	111.9°	109.7°
N7	C8	H5	124.1°	125.2°
C2	N3	C4	121.3°	122.5°
N3	C2	H4	118.4°	118.7°
N3	C4	N9	138.3°	134.3°
C4	N9	C8	109.4°	107.5°
C4	N9	C1'	121.1°	126.3°
C8	N9	C1'	129.5°	126.2°
N9	C8	H5	124.1°	125.1°
N9	C1'	C2'	115.8°	110.6°
N9	C1'	O4'	108.9°	110.6°
N9	C1'	H10	109.1°	110.5°
C2'	C1'	O4'	104.5°	103.5°
C1'	C2'	O2'	112.1°	110.9°
C1'	C2'	C3'	101.3°	102.1°
C2'	C1'	H10	108.4°	110.6°
C1'	C2'	H11	108.8°	110.9°
C1'	O4'	C4'	107.7°	106.9°
O4'	C1'	H10	110.0°	110.8°
O2'	C2'	C3'	115.2°	110.9°
O2'	C2'	H11	110.3°	110.8°
C2'	O2'	H12	109.5°	114.0°
C2'	C3'	C4'	103.7°	104.2°
C2'	C3'	O3'	110.5°	110.5°
C3'	C2'	H11	108.6°	110.9°
C2'	C3'	H13	110.3°	110.5°
O4'	C4'	C3'	106.2°	107.3°
O4'	C4'	C5'	110.0°	109.8°
O4'	C4'	H15	109.0°	109.9°
C4'	C3'	O3'	109.8°	110.5°
C3'	C4'	C5'	115.4°	109.9°
C4'	C3'	H13	110.3°	110.5°
C3'	C4'	H15	107.8°	109.9°
O3'	C3'	H13	111.9°	110.5°
C3'	O3'	H14	109.5°	114.0°
C4'	C5'	O5'	109.8°	109.5°
C5'	C4'	H15	108.3°	110.0°
C4'	C5'	H16	109.4°	109.5°
C4'	C5'	H17	109.4°	109.5°
C5'	O5'	S	122.7°	114.0°
O5'	C5'	H16	109.4°	109.5°
O5'	C5'	H17	109.4°	109.5°
O13	C9	N	121.7°	120.0°
O13	C9	C10	121.3°	120.0°
O5'	S	O3P	109.8°	106.4°
O5'	S	N	111.3°	107.2°
O5'	S	O2P	108.6°	106.4°
O3P	S	N	112.6°	106.4°
O3P	S	O2P	110.8°	123.2°
N22	C23	C19	111.2°	109.9°
C23	N22	C21	111.3°	109.9°
C23	N22	H18	124.4°	125.1°
N22	C23	H19	124.4°	125.0°
C23	C19	C11	124.4°	126.5°
C23	C19	C20	105.1°	107.0°
C19	C23	H19	124.4°	125.1°
N	S	O2P	103.5°	106.4°
S	N	C9	116.3°	120.0°
S	N	H1	121.8°	120.0°
C19	C11	C10	113.0°	109.5°
C11	C19	C20	130.5°	126.4°
C19	C11	H6	108.6°	109.5°
C19	C11	H7	108.5°	109.4°
C11	C10	C9	106.6°	109.5°
C10	C11	H6	108.6°	109.5°
C10	C11	H7	108.6°	109.5°
C11	C10	H8	110.2°	109.5°
C11	C10	H9	110.2°	109.5°
N	C9	C10	117.0°	120.0°
C9	N	H1	121.8°	120.0°
C9	C10	H8	110.2°	109.5°
C9	C10	H9	110.2°	109.5°
N22	C21	C20	107.5°	107.1°
N22	C21	C36	133.6°	133.5°
C21	N22	H18	124.4°	125.1°
C19	C20	C21	104.9°	106.0°
C19	C20	C39	134.4°	134.1°
C20	C21	C36	118.9°	119.4°
C21	C20	C39	120.7°	119.9°
C21	C36	C37	118.9°	119.8°
C21	C36	H20	120.6°	120.1°
C20	C39	C38	117.8°	119.8°
C20	C39	H23	121.1°	120.1°
C36	C37	C38	122.1°	120.7°
C37	C36	H20	120.6°	120.1°
C36	C37	H21	118.9°	119.7°
C39	C38	C37	121.6°	120.5°
C39	C38	H22	119.2°	119.8°
C38	C39	H23	121.1°	120.1°
C38	C37	H21	119.0°	119.6°
C37	C38	H22	119.2°	119.8°
H6	C11	H7	109.5°	109.4°
H8	C10	H9	109.5°	109.4°
H16	C5'	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C3	C7	H3	180.0°	180.0°
N2	C3	C7	N1	0.3°	0.0°
C3	N2	C6	N1	0.2°	0.4°
C3	N2	C6	C5	179.9°	179.9°
N2	C3	C7	H2	179.7°	179.7°
C7	C3	N2	C6	0.1°	0.3°
C3	C7	N1	H2	180.0°	179.7°
C3	C7	N1	C6	0.4°	0.2°
C3	C7	N1	C2	178.9°	179.8°
N2	C6	N1	C7	0.3°	0.4°
N2	C6	N1	C5	179.9°	179.6°
N2	C6	N1	C2	179.2°	179.6°
N2	C6	C5	N7	0.1°	0.6°
N2	C6	C5	C4	179.1°	179.4°
C6	N2	C3	H3	179.9°	179.7°
C7	N1	C6	C2	178.8°	179.9°
C7	N1	C6	C5	179.7°	180.0°
C7	N1	C2	N3	179.4°	179.9°
N1	C7	C3	H3	179.7°	180.0°
C7	N1	C2	H4	0.6°	0.1°
N1	C6	C5	N7	179.9°	180.0°
N1	C6	C5	C4	0.9°	0.0°
C6	N1	C2	N3	1.0°	0.2°
C6	N1	C7	H2	179.6°	180.0°
C6	N1	C2	H4	179.0°	180.0°
C5	C6	N1	C2	0.9°	0.1°
C6	C5	N7	C4	179.3°	180.0°
C6	C5	N7	C8	179.9°	180.0°
C6	C5	C4	N3	1.0°	0.0°
C6	C5	C4	N9	179.6°	180.0°
N1	C2	N3	H4	180.0°	179.8°
N1	C2	N3	C4	1.1°	0.2°
C2	N1	C7	H2	1.1°	0.1°
N7	C5	C4	N3	179.7°	180.0°
N7	C5	C4	N9	0.3°	0.0°
C5	N7	C8	N9	0.8°	0.0°
C5	N7	C8	H5	179.2°	179.9°
C4	C5	N7	C8	0.6°	0.0°
C5	C4	N3	C2	1.1°	0.1°
C5	C4	N3	N9	179.1°	179.9°
C5	C4	N9	C8	0.2°	0.0°
C5	C4	N9	C1'	179.0°	180.0°
N7	C8	N9	C4	0.7°	0.0°
N7	C8	N9	H5	180.0°	179.9°
N7	C8	N9	C1'	179.3°	180.0°
C2	N3	C4	N9	179.8°	179.9°
N3	C4	N9	C8	179.0°	180.0°
N3	C4	N9	C1'	0.2°	0.1°
C4	N3	C2	H4	178.9°	180.0°
C4	N9	C8	C1'	178.6°	180.0°
C4	N9	C1'	C2'	131.9°	85.0°
C4	N9	C1'	O4'	110.7°	160.9°
C4	N9	C8	H5	179.3°	179.9°
C4	N9	C1'	H10	9.4°	37.9°
C8	N9	C1'	C2'	49.6°	95.0°
C8	N9	C1'	O4'	67.8°	19.1°
C8	N9	C1'	H10	172.1°	142.1°
N9	C1'	C2'	O4'	119.8°	118.5°
N9	C1'	C2'	H10	122.9°	122.8°
N9	C1'	O4'	H10	119.6°	122.9°
N9	C1'	C2'	O2'	77.0°	86.3°
N9	C1'	C2'	C3'	159.6°	155.6°
N9	C1'	O4'	C4'	163.8°	158.6°
C1'	N9	C8	H5	0.7°	0.1°
N9	C1'	C2'	H11	45.4°	37.3°
C2'	C1'	O4'	H10	116.1°	118.6°
C1'	C2'	O2'	C3'	115.2°	112.7°
C1'	C2'	O2'	H11	121.5°	123.7°
C1'	C2'	C3'	H11	114.5°	118.2°
C2'	C1'	O4'	C4'	39.5°	40.1°
C1'	C2'	C3'	C4'	25.2°	20.9°
C1'	C2'	C3'	O3'	92.4°	97.8°
C1'	C2'	O2'	H12	180.0°	180.0°
C1'	C2'	C3'	H13	143.3°	139.6°
O4'	C1'	C2'	O2'	163.2°	155.2°
O4'	C1'	C2'	C3'	39.8°	37.1°
C1'	O4'	C4'	C3'	22.3°	26.5°
C1'	O4'	C4'	C5'	147.8°	145.9°
O4'	C1'	C2'	H11	74.5°	81.2°
C1'	O4'	C4'	H15	93.6°	93.0°
O2'	C2'	C3'	H11	124.3°	123.6°
O2'	C2'	C3'	C4'	146.5°	139.1°
O2'	C2'	C3'	O3'	28.9°	20.4°
O2'	C2'	C1'	H10	45.9°	36.5°
O2'	C2'	C3'	H13	95.4°	102.3°
C2'	C3'	C4'	O4'	3.5°	2.0°
C2'	C3'	C4'	O3'	118.1°	118.7°
C2'	C3'	C4'	H13	118.1°	118.7°
C2'	C3'	O3'	H13	123.4°	122.6°
C2'	C3'	C4'	C5'	118.6°	121.4°
C3'	C2'	C1'	H10	77.5°	81.6°
C3'	C2'	O2'	H12	64.8°	67.3°
C2'	C3'	O3'	H14	180.0°	61.4°
C2'	C3'	C4'	H15	120.3°	117.4°
O4'	C4'	C3'	C5'	122.1°	119.4°
O4'	C4'	C3'	H15	116.7°	119.5°
O4'	C4'	C3'	O3'	114.5°	120.7°
O4'	C4'	C5'	H15	119.0°	121.1°
O4'	C4'	C5'	O5'	173.5°	66.4°
C4'	O4'	C1'	H10	76.7°	78.5°
O4'	C4'	C3'	H13	121.6°	116.6°
O4'	C4'	C5'	H16	66.5°	173.6°
O4'	C4'	C5'	H17	53.4°	53.6°
C4'	C3'	O3'	H13	122.9°	122.6°
C3'	C4'	C5'	H15	120.9°	121.1°
C3'	C4'	C5'	O5'	66.4°	175.7°
C4'	C3'	C2'	H11	89.2°	97.3°
C4'	C3'	O3'	H14	66.3°	176.2°
C3'	C4'	C5'	H16	53.6°	55.7°
C3'	C4'	C5'	H17	173.5°	64.3°
O3'	C3'	C4'	C5'	123.3°	119.9°
O3'	C3'	C2'	H11	153.2°	144.0°
O3'	C3'	C4'	H15	2.2°	1.3°
C4'	C5'	O5'	H16	120.0°	120.0°
C4'	C5'	O5'	H17	120.0°	120.0°
C4'	C5'	O5'	S	177.7°	180.0°
C5'	C4'	C3'	H13	0.5°	2.8°
C4'	C5'	H16	H17	119.8°	120.0°
C5'	O5'	S	O3P	2.6°	171.5°
C5'	O5'	S	N	128.0°	75.0°
C5'	O5'	S	O2P	118.7°	38.6°
O5'	C5'	C4'	H15	54.5°	54.6°
O5'	C5'	H16	H17	119.9°	120.0°
O13	C9	N	S	38.6°	0.0°
O13	C9	C10	C11	9.2°	0.0°
O13	C9	N	C10	178.2°	180.0°
O13	C9	N	H1	141.4°	180.0°
O13	C9	C10	H8	110.3°	120.0°
O13	C9	C10	H9	128.7°	120.0°
O5'	S	O3P	N	124.6°	114.1°
O5'	S	O3P	O2P	120.0°	122.9°
O5'	S	N	O2P	116.5°	113.6°
O5'	S	N	C9	27.8°	65.0°
O5'	S	N	H1	152.2°	115.0°
S	O5'	C5'	H16	57.7°	60.0°
S	O5'	C5'	H17	62.3°	60.0°
O3P	S	N	O2P	119.7°	132.9°
O3P	S	N	C9	96.0°	48.5°
O3P	S	N	H1	84.0°	131.5°
N22	C23	C19	H19	180.0°	179.6°
N22	C23	C19	C11	179.5°	179.8°
C23	N22	C21	H18	180.0°	179.8°
N22	C23	C19	C20	0.1°	0.4°
C23	N22	C21	C20	0.1°	0.2°
C23	N22	C21	C36	179.7°	179.7°
C23	C19	C11	C20	179.2°	179.7°
C23	C19	C11	C10	157.3°	95.3°
C19	C23	N22	C21	0.2°	0.4°
C23	C19	C20	C21	0.0°	0.3°
C23	C19	C20	C39	179.6°	179.8°
C23	C19	C11	H6	36.8°	144.7°
C23	C19	C11	H7	82.1°	24.7°
C19	C23	N22	H18	179.8°	179.8°
S	N	C9	H1	180.0°	180.0°
S	N	C9	C10	139.6°	180.0°
O2P	S	N	C9	144.2°	178.6°
O2P	S	N	H1	35.7°	1.5°
C19	C11	C10	H6	120.5°	120.1°
C19	C11	C10	H7	120.5°	120.0°
C19	C11	C10	C9	119.7°	180.0°
C11	C19	C20	C21	179.4°	179.9°
C11	C19	C20	C39	0.3°	0.0°
C19	C11	H6	H7	118.3°	119.9°
C19	C11	C10	H8	120.8°	59.9°
C19	C11	C10	H9	0.1°	60.0°
C11	C19	C23	H19	0.5°	0.2°
C11	C10	C9	N	172.5°	180.0°
C11	C10	C9	H8	119.6°	120.0°
C11	C10	C9	H9	119.5°	120.0°
C10	C11	C19	C20	23.5°	85.0°
C10	C11	H6	H7	118.4°	120.0°
C11	C10	H8	H9	121.3°	120.0°
N	C9	C10	H8	67.9°	60.0°
N	C9	C10	H9	53.0°	60.0°
C10	C9	N	H1	40.4°	0.0°
C9	C10	C11	H6	0.9°	60.0°
C9	C10	C11	H7	119.8°	60.0°
C9	C10	H8	H9	121.4°	120.0°
N22	C21	C20	C19	0.1°	0.0°
N22	C21	C20	C36	179.9°	180.0°
N22	C21	C20	C39	179.7°	180.0°
N22	C21	C36	C37	179.9°	180.0°
C21	N22	C23	H19	179.8°	180.0°
N22	C21	C36	H20	0.1°	0.0°
C19	C20	C21	C39	179.7°	179.9°
C19	C20	C21	C36	179.9°	180.0°
C19	C20	C39	C38	179.3°	180.0°
C20	C19	C11	H6	144.0°	35.1°
C20	C19	C11	H7	97.1°	155.0°
C20	C19	C23	H19	179.9°	180.0°
C19	C20	C39	H23	0.7°	0.0°
C20	C21	C36	C37	0.0°	0.1°
C21	C20	C39	C38	0.3°	0.1°
C20	C21	N22	H18	179.9°	180.0°
C20	C21	C36	H20	180.0°	180.0°
C21	C20	C39	H23	179.8°	180.0°
C36	C21	C20	C39	0.2°	0.1°
C21	C36	C37	H20	180.0°	180.0°
C21	C36	C37	C38	0.6°	0.1°
C36	C21	N22	H18	0.2°	0.1°
C21	C36	C37	H21	179.5°	180.0°
C20	C39	C38	H23	180.0°	179.9°
C20	C39	C38	C37	0.8°	0.1°
C20	C39	C38	H22	179.2°	180.0°
C36	C37	C38	C39	1.0°	0.1°
C36	C37	C38	H21	180.0°	180.0°
C36	C37	C38	H22	179.0°	180.0°
C39	C38	C37	H22	180.0°	179.9°
C39	C38	C37	H21	179.0°	179.9°
C38	C37	C36	H20	179.4°	180.0°
C37	C38	C39	H23	179.2°	179.9°
H2	C7	C3	H3	0.3°	0.3°
H6	C11	C10	H8	118.7°	180.0°
H6	C11	C10	H9	120.4°	60.1°
H7	C11	C10	H8	0.2°	60.1°
H7	C11	C10	H9	120.6°	NaN°
H10	C1'	C2'	H11	168.3°	160.1°
H11	C2'	O2'	H12	58.5°	56.3°
H11	C2'	C3'	H13	28.9°	21.3°
H13	C3'	O3'	H14	56.7°	61.2°
H13	C3'	C4'	H15	121.7°	123.9°
H15	C4'	C5'	H16	174.5°	65.4°
H15	C4'	C5'	H17	65.6°	174.7°
H18	N22	C23	H19	0.2°	0.2°
H20	C36	C37	H21	0.5°	0.0°
H21	C37	C38	H22	1.0°	0.0°
H22	C38	C39	H23	0.8°	0.0°

Release date:	2016-06-22
Definition date:	2016-02-10
Last modified:	2016-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5I2E