D22

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.52Å
C8	N9	sing	1.47Å	1.45Å
C10	C11	sing	1.53Å	1.52Å
C10	N9	sing	1.47Å	1.45Å
C17	C16	sing	1.53Å	1.52Å
C16	C15	sing	1.53Å	1.53Å
C15	C14	sing	1.53Å	1.52Å
C14	C13	sing	1.53Å	1.53Å
C13	C12	sing	1.53Å	1.52Å
C12	C11	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
N9	HN9	sing	1.01Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	110.1°	109.5°
C2	C3	C4	109.9°	109.5°
C3	C2	H2	109.3°	109.5°
C3	C2	H2A	109.1°	109.5°
C2	C3	H3	109.3°	109.5°
C2	C3	H3A	109.2°	109.4°
C1	C2	H2	109.2°	109.5°
C1	C2	H2A	109.1°	109.4°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.4°	109.4°
C3	C4	C5	109.7°	109.4°
C4	C3	H3	109.3°	109.5°
C4	C3	H3A	109.2°	109.5°
C3	C4	H4	109.4°	109.5°
C3	C4	H4A	109.4°	109.4°
C4	C5	C6	110.5°	109.4°
C5	C4	H4	109.4°	109.5°
C5	C4	H4A	109.3°	109.5°
C4	C5	H5	109.2°	109.5°
C4	C5	H5A	108.9°	109.5°
C5	C6	C7	109.7°	109.5°
C6	C5	H5	109.1°	109.5°
C6	C5	H5A	108.9°	109.5°
C5	C6	H6	109.4°	109.5°
C5	C6	H6A	109.4°	109.5°
C6	C7	C8	110.0°	109.5°
C7	C6	H6	109.4°	109.4°
C7	C6	H6A	109.3°	109.5°
C6	C7	H7	109.3°	109.4°
C6	C7	H7A	109.2°	109.5°
C7	C8	N9	111.7°	109.5°
C8	C7	H7	109.3°	109.5°
C8	C7	H7A	109.2°	109.5°
C7	C8	H8	108.7°	109.5°
C7	C8	H8A	108.2°	109.5°
C8	N9	C10	120.2°	111.0°
N9	C8	H8	108.8°	109.4°
N9	C8	H8A	108.3°	109.5°
C8	N9	HN9	106.1°	111.0°
C11	C10	N9	112.6°	109.5°
C10	C11	C12	110.9°	109.5°
C11	C10	H10	108.4°	109.5°
C11	C10	H10A	107.7°	109.5°
C10	C11	H11	109.0°	109.5°
C10	C11	H11A	108.7°	109.5°
N9	C10	H10	108.4°	109.5°
N9	C10	H10A	107.7°	109.4°
C10	N9	HN9	106.0°	111.0°
C17	C16	C15	111.2°	109.5°
C16	C17	H17	109.5°	109.5°
C16	C17	H17A	109.5°	109.4°
C16	C17	H17B	109.5°	109.4°
C17	C16	H16	108.9°	109.5°
C17	C16	H16A	108.5°	109.4°
C16	C15	C14	111.4°	109.5°
C15	C16	H16	108.9°	109.5°
C15	C16	H16A	108.5°	109.5°
C16	C15	H15	108.9°	109.4°
C16	C15	H15A	108.4°	109.5°
C15	C14	C13	111.2°	109.4°
C14	C15	H15	108.8°	109.5°
C14	C15	H15A	108.4°	109.5°
C15	C14	H14	108.9°	109.4°
C15	C14	H14A	108.5°	109.5°
C14	C13	C12	111.8°	109.4°
C13	C14	H14	108.9°	109.5°
C13	C14	H14A	108.5°	109.5°
C14	C13	H13	108.7°	109.5°
C14	C13	H13A	108.2°	109.5°
C13	C12	C11	110.0°	109.5°
C12	C13	H13	108.7°	109.5°
C12	C13	H13A	108.2°	109.5°
C13	C12	H12	109.3°	109.5°
C13	C12	H12A	109.2°	109.5°
C11	C12	H12	109.3°	109.5°
C11	C12	H12A	109.2°	109.4°
C12	C11	H11	109.0°	109.4°
C12	C11	H11A	108.7°	109.5°
H2	C2	H2A	110.0°	109.4°
H3	C3	H3A	109.9°	109.4°
H4	C4	H4A	109.6°	109.5°
H5	C5	H5A	110.2°	109.5°
H6	C6	H6A	109.6°	109.4°
H7	C7	H7A	109.9°	109.4°
H8	C8	H8A	111.2°	109.5°
H10	C10	H10A	112.0°	109.5°
H17	C17	H17A	109.5°	109.5°
H17	C17	H17B	109.5°	109.5°
H17A	C17	H17B	109.5°	109.5°
H16	C16	H16A	110.8°	109.4°
H15	C15	H15A	111.0°	109.4°
H14	C14	H14A	110.8°	109.5°
H13	C13	H13A	111.3°	109.5°
H12	C12	H12A	109.9°	109.4°
H11	C11	H11A	110.6°	109.4°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.4°	109.5°
H1A	C1	H1B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H2	120.0°	120.1°
C3	C2	C1	H2A	119.7°	120.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	119.8°	120.0°
C2	C3	C4	C5	79.1°	180.0°
C3	C2	H2	H2A	119.7°	120.0°
C2	C3	H3	H3A	119.8°	119.9°
C2	C3	C4	H4	40.9°	60.0°
C2	C3	C4	H4A	161.0°	60.0°
C3	C2	C1	H1	95.5°	180.0°
C3	C2	C1	H1A	24.5°	60.0°
C3	C2	C1	H1B	144.5°	60.0°
C1	C2	C3	C4	147.4°	180.0°
C1	C2	H2	H2A	119.7°	119.9°
C1	C2	C3	H3	27.5°	60.0°
C1	C2	C3	H3A	92.8°	60.0°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	119.9°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	119.9°	119.9°
C3	C4	C5	C6	110.3°	180.0°
C4	C3	C2	H2	27.4°	60.0°
C4	C3	C2	H2A	92.9°	60.0°
C4	C3	H3	H3A	119.8°	120.0°
C3	C4	H4	H4A	119.9°	120.0°
C3	C4	C5	H5	9.7°	60.0°
C3	C4	C5	H5A	130.1°	60.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	119.6°	120.0°
C4	C5	C6	C7	173.5°	180.0°
C5	C4	C3	H3	160.9°	60.0°
C5	C4	C3	H3A	40.7°	60.0°
C5	C4	H4	H4A	119.9°	120.1°
C4	C5	H5	H5A	119.6°	120.0°
C4	C5	C6	H6	66.5°	60.0°
C4	C5	C6	H6A	53.6°	60.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	119.9°	120.1°
C5	C6	C7	C8	143.0°	180.0°
C6	C5	C4	H4	129.7°	60.1°
C6	C5	C4	H4A	9.6°	60.0°
C6	C5	H5	H5A	119.6°	120.0°
C5	C6	H6	H6A	119.9°	120.0°
C5	C6	C7	H7	97.0°	60.0°
C5	C6	C7	H7A	23.2°	59.9°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	C8	H7A	119.8°	120.1°
C6	C7	C8	N9	176.9°	180.0°
C7	C6	C5	H5	53.5°	60.0°
C7	C6	C5	H5A	67.0°	60.0°
C7	C6	H6	H6A	119.9°	120.0°
C6	C7	H7	H7A	119.8°	120.0°
C6	C7	C8	H8	56.9°	60.0°
C6	C7	C8	H8A	64.0°	60.0°
C7	C8	N9	H8	120.0°	120.0°
C7	C8	N9	H8A	119.1°	120.0°
C7	C8	N9	C10	96.7°	180.0°
C8	C7	C6	H6	23.0°	60.0°
C8	C7	C6	H6A	97.1°	59.9°
C8	C7	H7	H7A	119.8°	120.0°
C7	C8	H8	H8A	119.1°	120.0°
C7	C8	N9	HN9	23.3°	56.1°
C8	N9	C10	C11	72.1°	180.0°
C8	N9	C10	HN9	120.0°	123.9°
N9	C8	C7	H7	63.1°	60.0°
N9	C8	C7	H7A	57.1°	60.0°
N9	C8	H8	H8A	119.1°	120.0°
C8	N9	C10	H10	47.9°	60.0°
C8	N9	C10	H10A	169.3°	60.0°
C11	C10	N9	H10	120.0°	120.0°
C11	C10	N9	H10A	118.6°	120.0°
C10	C11	C12	C13	177.3°	180.0°
C10	C11	C12	H11	120.0°	120.0°
C10	C11	C12	H11A	119.4°	120.1°
C11	C10	H10	H10A	118.7°	120.0°
C10	C11	C12	H12	62.7°	59.9°
C10	C11	C12	H12A	57.5°	60.0°
C10	C11	H11	H11A	119.4°	120.0°
C11	C10	N9	HN9	47.9°	56.1°
N9	C10	C11	C12	55.8°	180.0°
C10	N9	C8	H8	143.3°	60.0°
C10	N9	C8	H8A	22.3°	60.0°
N9	C10	H10	H10A	118.7°	120.0°
N9	C10	C11	H11	175.7°	60.0°
N9	C10	C11	H11A	63.6°	60.0°
C17	C16	C15	H16	120.0°	120.0°
C17	C16	C15	H16A	119.3°	120.0°
C17	C16	C15	C14	171.8°	180.0°
C16	C17	H17	H17A	120.0°	120.0°
C16	C17	H17	H17B	120.0°	120.0°
C16	C17	H17A	H17B	120.0°	119.9°
C17	C16	H16	H16A	119.3°	119.9°
C17	C16	C15	H15	68.2°	60.0°
C17	C16	C15	H15A	52.6°	60.0°
C16	C15	C14	H15	120.0°	120.0°
C16	C15	C14	H15A	119.2°	120.0°
C16	C15	C14	C13	165.4°	180.0°
C15	C16	C17	H17	127.1°	180.0°
C15	C16	C17	H17A	7.1°	60.0°
C15	C16	C17	H17B	112.9°	60.0°
C15	C16	H16	H16A	119.3°	120.0°
C16	C15	H15	H15A	119.2°	120.0°
C16	C15	C14	H14	45.4°	60.0°
C16	C15	C14	H14A	75.3°	60.0°
C15	C14	C13	H14	120.0°	119.9°
C15	C14	C13	H14A	119.3°	120.0°
C15	C14	C13	C12	87.5°	180.0°
C14	C15	C16	H16	51.8°	60.0°
C14	C15	C16	H16A	68.9°	60.0°
C14	C15	H15	H15A	119.2°	120.1°
C15	C14	H14	H14A	119.3°	120.0°
C15	C14	C13	H13	32.5°	60.0°
C15	C14	C13	H13A	153.5°	60.0°
C14	C13	C12	H13	120.0°	120.0°
C14	C13	C12	H13A	119.0°	120.0°
C14	C13	C12	C11	162.9°	180.0°
C13	C14	C15	H15	74.5°	60.0°
C13	C14	C15	H15A	46.2°	60.0°
C13	C14	H14	H14A	119.3°	120.1°
C14	C13	H13	H13A	119.0°	120.0°
C14	C13	C12	H12	77.1°	60.0°
C14	C13	C12	H12A	43.2°	60.0°
C13	C12	C11	H12	120.0°	120.1°
C13	C12	C11	H12A	119.8°	120.0°
C12	C13	C14	H14	152.5°	60.0°
C12	C13	C14	H14A	31.8°	60.1°
C12	C13	H13	H13A	119.1°	120.0°
C13	C12	H12	H12A	119.8°	120.0°
C13	C12	C11	H11	62.7°	60.0°
C13	C12	C11	H11A	57.9°	59.9°
C12	C11	C10	H10	175.7°	60.0°
C12	C11	C10	H10A	62.9°	60.0°
C11	C12	C13	H13	42.9°	60.0°
C11	C12	C13	H13A	78.1°	60.0°
C11	C12	H12	H12A	119.8°	119.9°
C12	C11	H11	H11A	119.4°	120.0°
H2	C2	C3	H3	92.5°	60.1°
H2	C2	C3	H3A	147.2°	180.0°
H2	C2	C1	H1	144.5°	59.9°
H2	C2	C1	H1A	95.5°	180.0°
H2	C2	C1	H1B	24.5°	60.1°
H2A	C2	C3	H3	147.2°	179.9°
H2A	C2	C3	H3A	26.9°	60.0°
H2A	C2	C1	H1	24.2°	60.0°
H2A	C2	C1	H1A	144.2°	60.1°
H2A	C2	C1	H1B	95.8°	180.0°
H3	C3	C4	H4	79.1°	180.0°
H3	C3	C4	H4A	41.0°	60.0°
H3A	C3	C4	H4	160.7°	60.0°
H3A	C3	C4	H4A	79.2°	180.0°
H4	C4	C5	H5	110.3°	179.9°
H4	C4	C5	H5A	10.1°	60.0°
H4A	C4	C5	H5	129.6°	60.0°
H4A	C4	C5	H5A	110.0°	179.9°
H5	C5	C6	H6	173.5°	NaN°
H5	C5	C6	H6A	66.4°	60.0°
H5A	C5	C6	H6	53.1°	60.0°
H5A	C5	C6	H6A	173.1°	180.0°
H6	C6	C7	H7	143.0°	180.0°
H6	C6	C7	H7A	96.8°	60.1°
H6A	C6	C7	H7	22.9°	60.1°
H6A	C6	C7	H7A	143.2°	NaN°
H7	C7	C8	H8	176.9°	180.0°
H7	C7	C8	H8A	56.0°	60.0°
H7A	C7	C8	H8	62.9°	60.0°
H7A	C7	C8	H8A	176.2°	180.0°
H8	C8	N9	HN9	96.7°	176.1°
H8A	C8	N9	HN9	142.3°	63.9°
H10	C10	C11	H11	64.3°	60.0°
H10	C10	C11	H11A	56.3°	180.0°
H10	C10	N9	HN9	167.9°	63.9°
H10A	C10	C11	H11	57.1°	180.0°
H10A	C10	C11	H11A	177.7°	60.0°
H10A	C10	N9	HN9	70.7°	176.1°
H17	C17	H17A	H17B	120.0°	120.1°
H17	C17	C16	H16	7.1°	59.9°
H17	C17	C16	H16A	113.6°	60.0°
H17A	C17	C16	H16	112.9°	60.1°
H17A	C17	C16	H16A	126.4°	180.0°
H17B	C17	C16	H16	127.1°	180.0°
H17B	C17	C16	H16A	6.4°	60.1°
H16	C16	C15	H15	171.8°	180.0°
H16	C16	C15	H15A	67.4°	60.1°
H16A	C16	C15	H15	51.1°	60.0°
H16A	C16	C15	H15A	171.9°	179.9°
H15	C15	C14	H14	165.4°	180.0°
H15	C15	C14	H14A	44.7°	60.0°
H15A	C15	C14	H14	73.8°	60.0°
H15A	C15	C14	H14A	165.5°	180.0°
H14	C14	C13	H13	87.5°	179.9°
H14	C14	C13	H13A	33.5°	60.0°
H14A	C14	C13	H13	151.8°	60.0°
H14A	C14	C13	H13A	87.2°	179.9°
H13	C13	C12	H12	162.9°	180.0°
H13	C13	C12	H12A	76.9°	60.0°
H13A	C13	C12	H12	42.0°	60.0°
H13A	C13	C12	H12A	162.2°	NaN°
H12	C12	C11	H11	57.3°	60.1°
H12	C12	C11	H11A	177.9°	NaN°
H12A	C12	C11	H11	177.5°	180.0°
H12A	C12	C11	H11A	61.9°	60.1°
H1	C1	H1A	H1B	120.0°	120.0°

Definition date:	2009-05-14
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3HEM