A1A33

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.51Å
C2	C1	sing	1.53Å	1.52Å
C1	N	sing	1.47Å	1.47Å
N	C3	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.51Å
C7	O	sing	1.43Å	1.42Å
C8	C6	sing	1.53Å	1.52Å
N	C8	sing	1.47Å	1.47Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C8	H18	sing	1.09Å	1.10Å
C8	H17	sing	1.09Å	1.10Å
O	H16	sing	0.97Å	0.95Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	114.3°	109.4°
C	C1	N	110.4°	109.5°
C	C1	H3	105.2°	109.5°
C1	C	H2	109.5°	109.4°
C1	C	H	109.5°	109.5°
C1	C	H1	109.4°	109.5°
C2	C1	N	114.9°	109.5°
C2	C1	H3	105.2°	109.4°
C1	C2	H6	109.5°	109.4°
C1	C2	H5	109.5°	109.4°
C1	C2	H4	109.5°	109.5°
C1	N	C3	125.0°	111.0°
C1	N	C8	112.4°	111.0°
N	C1	H3	105.7°	109.5°
N	C3	C4	113.1°	109.6°
C3	N	C8	108.8°	111.2°
N	C3	H7	108.6°	109.5°
N	C3	H8	108.5°	109.4°
C3	C4	C5	111.8°	109.3°
C3	C4	H9	108.9°	109.5°
C3	C4	H10	108.8°	109.5°
C4	C3	H7	108.5°	109.5°
C4	C3	H8	108.6°	109.5°
C4	C5	C6	111.3°	109.2°
C5	C4	H9	108.9°	109.5°
C5	C4	H10	108.9°	109.5°
C4	C5	H11	109.0°	109.5°
C4	C5	H12	109.0°	109.5°
C5	C6	C7	121.3°	109.5°
C5	C6	C8	108.3°	109.3°
C6	C5	H11	109.0°	109.5°
C6	C5	H12	109.0°	109.5°
C5	C6	H13	106.4°	109.5°
C6	C7	O	110.8°	109.5°
C7	C6	C8	107.1°	109.5°
C7	C6	H13	106.4°	109.5°
C6	C7	H15	109.1°	109.4°
C6	C7	H14	109.1°	109.5°
O	C7	H15	109.1°	109.5°
O	C7	H14	109.1°	109.5°
C7	O	H16	109.5°	114.0°
C6	C8	N	107.6°	109.6°
C8	C6	H13	106.4°	109.5°
C6	C8	H18	109.9°	109.5°
C6	C8	H17	109.9°	109.4°
N	C8	H18	109.9°	109.4°
N	C8	H17	109.9°	109.4°
H9	C4	H10	109.5°	109.5°
H11	C5	H12	109.5°	109.6°
H15	C7	H14	109.5°	109.5°
H18	C8	H17	109.5°	109.5°
H7	C3	H8	109.5°	109.5°
H6	C2	H5	109.5°	109.5°
H6	C2	H4	109.4°	109.5°
H5	C2	H4	109.5°	109.5°
H2	C	H	109.5°	109.5°
H2	C	H1	109.5°	109.5°
H	C	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	N	129.3°	120.0°
C	C1	C2	H3	115.0°	119.9°
C	C1	N	H3	113.3°	120.0°
C	C1	N	C3	99.6°	176.0°
C	C1	N	C8	124.8°	59.7°
C	C1	C2	H6	180.0°	180.0°
C	C1	C2	H5	60.0°	60.1°
C	C1	C2	H4	60.0°	60.0°
C1	C	H2	H	120.0°	120.0°
C1	C	H2	H1	120.0°	120.0°
C1	C	H	H1	120.0°	120.0°
C2	C1	N	H3	115.5°	120.0°
C2	C1	N	C3	31.6°	56.0°
C2	C1	N	C8	104.1°	179.7°
C1	C2	H6	H5	120.0°	119.9°
C1	C2	H6	H4	120.0°	120.0°
C1	C2	H5	H4	120.0°	120.0°
C2	C1	C	H2	180.0°	180.0°
C2	C1	C	H	60.0°	60.0°
C2	C1	C	H1	60.0°	60.0°
C1	N	C3	C8	136.9°	124.1°
C1	N	C3	C4	146.6°	174.2°
C1	N	C8	C6	149.6°	174.2°
C1	N	C8	H18	29.9°	54.1°
C1	N	C8	H17	90.6°	65.9°
C1	N	C3	H7	92.9°	65.8°
C1	N	C3	H8	26.0°	54.1°
N	C1	C2	H6	50.7°	60.0°
N	C1	C2	H5	69.3°	60.0°
N	C1	C2	H4	170.7°	180.0°
N	C1	C	H2	48.5°	60.0°
N	C1	C	H	168.5°	180.0°
N	C1	C	H1	71.5°	60.0°
N	C3	C4	H7	120.5°	120.0°
N	C3	C4	H8	120.5°	120.0°
N	C3	C4	C5	47.3°	59.2°
C3	N	C8	C6	67.6°	61.7°
N	C3	C4	H9	167.7°	179.2°
N	C3	C4	H10	73.0°	60.8°
C3	N	C8	H18	172.7°	178.2°
C3	N	C8	H17	52.1°	58.3°
N	C3	H7	H8	118.3°	119.9°
C3	N	C1	H3	147.1°	63.9°
C3	C4	C5	H9	120.3°	120.0°
C3	C4	C5	H10	120.3°	120.0°
C3	C4	C5	C6	46.8°	57.7°
C4	C3	N	C8	9.6°	61.7°
C3	C4	H9	H10	118.9°	120.1°
C3	C4	C5	H11	73.5°	177.5°
C3	C4	C5	H12	167.0°	62.3°
C4	C3	H7	H8	118.3°	120.0°
C4	C5	C6	H11	120.3°	119.9°
C4	C5	C6	H12	120.3°	119.9°
C4	C5	C6	C7	132.3°	177.6°
C4	C5	C6	C8	7.9°	57.6°
C5	C4	H9	H10	118.9°	120.1°
C4	C5	H11	H12	119.2°	120.2°
C4	C5	C6	H13	106.1°	62.3°
C5	C4	C3	H7	73.2°	60.9°
C5	C4	C3	H8	167.9°	179.2°
C5	C6	C7	C8	124.9°	119.8°
C5	C6	C7	H13	121.6°	120.1°
C5	C6	C7	O	3.3°	65.0°
C5	C6	C8	H13	114.0°	120.0°
C5	C6	C8	N	66.8°	59.2°
C6	C5	C4	H9	167.1°	177.6°
C6	C5	C4	H10	73.6°	62.3°
C6	C5	H11	H12	119.1°	120.2°
C5	C6	C7	H15	116.9°	55.0°
C5	C6	C7	H14	123.5°	175.0°
C5	C6	C8	H18	173.5°	179.2°
C5	C6	C8	H17	52.9°	60.8°
C6	C7	O	H15	120.2°	119.9°
C6	C7	O	H14	120.2°	120.1°
C7	C6	C8	H13	113.5°	120.1°
C7	C6	C8	N	160.7°	179.1°
C7	C6	C5	H11	107.4°	62.5°
C7	C6	C5	H12	12.0°	57.7°
C6	C7	H15	H14	119.4°	120.0°
C7	C6	C8	H18	41.0°	60.8°
C7	C6	C8	H17	79.6°	59.2°
C6	C7	O	H16	180.0°	180.0°
O	C7	C6	C8	128.3°	175.2°
O	C7	C6	H13	118.2°	55.1°
O	C7	H15	H14	119.4°	120.0°
C6	C8	N	H18	119.7°	120.1°
C6	C8	N	H17	119.7°	120.0°
C8	C6	C5	H11	128.2°	177.5°
C8	C6	C5	H12	112.4°	62.3°
C8	C6	C7	H15	8.1°	64.8°
C8	C6	C7	H14	111.6°	55.2°
C6	C8	H18	H17	120.9°	120.0°
N	C8	C6	H13	47.2°	60.8°
N	C8	H18	H17	120.8°	119.9°
C8	N	C3	H7	130.2°	58.4°
C8	N	C3	H8	110.9°	178.3°
C8	N	C1	H3	11.5°	60.3°
H9	C4	C5	H11	46.8°	62.5°
H9	C4	C5	H12	72.6°	57.7°
H9	C4	C3	H7	47.1°	59.1°
H9	C4	C3	H8	71.8°	60.9°
H10	C4	C5	H11	166.2°	57.5°
H10	C4	C5	H12	46.7°	177.7°
H10	C4	C3	H7	166.5°	179.2°
H10	C4	C3	H8	47.5°	59.2°
H11	C5	C6	H13	14.2°	57.6°
H12	C5	C6	H13	133.6°	177.8°
H13	C6	C7	H15	121.6°	175.1°
H13	C6	C7	H14	1.9°	64.9°
H13	C6	C8	H18	72.5°	59.3°
H13	C6	C8	H17	166.9°	179.2°
H15	C7	O	H16	59.8°	60.0°
H14	C7	O	H16	59.8°	60.0°
H3	C1	C2	H6	65.0°	60.0°
H3	C1	C2	H5	174.9°	180.0°
H3	C1	C2	H4	54.9°	60.0°
H3	C1	C	H2	65.1°	60.1°
H3	C1	C	H	54.9°	60.0°
H3	C1	C	H1	174.9°	179.9°
H6	C2	H5	H4	119.9°	120.1°
H2	C	H	H1	120.0°	120.0°

Release date:	2024-11-06
Definition date:	2024-08-29
Last modified:	2024-11-01
Release status:	REL
Processing site:	RCSB
Derived from:	7HGV