A1A3V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.52Å
C1	O	sing	1.43Å	1.43Å
C2	C1	sing	1.53Å	1.55Å
N	C2	sing	1.47Å	1.47Å
C3	N	sing	1.47Å	1.48Å
C3	C4	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.51Å
C6	C7	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.53Å
C8	C3	sing	1.53Å	1.53Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C8	H18	sing	1.09Å	1.10Å
C8	H17	sing	1.09Å	1.10Å
O	H4	sing	0.97Å	0.95Å
C1	H3	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
N	H19	sing	1.01Å	1.00Å
C3	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	108.9°	109.5°
C	C1	C2	110.7°	109.4°
C	C1	H3	110.8°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H1	109.5°	109.4°
C1	C	H2	109.5°	109.5°
O	C1	C2	103.8°	109.4°
C1	O	H4	109.5°	114.1°
O	C1	H3	112.1°	109.5°
C1	C2	N	111.7°	109.4°
C2	C1	H3	110.3°	109.5°
C1	C2	H5	108.9°	109.5°
C1	C2	H6	108.9°	109.5°
C2	N	C3	118.5°	111.0°
N	C2	H5	108.9°	109.5°
N	C2	H6	108.9°	109.5°
C2	N	H19	107.1°	111.0°
N	C3	C4	112.3°	109.5°
N	C3	C8	127.6°	109.4°
C3	N	H19	107.2°	111.0°
N	C3	H8	100.5°	109.5°
C3	C4	C5	110.6°	109.4°
C4	C3	C8	110.6°	109.5°
C3	C4	H9	109.2°	109.5°
C3	C4	H10	109.2°	109.4°
C4	C3	H8	100.2°	109.5°
C4	C5	C6	111.4°	109.4°
C5	C4	H9	109.2°	109.5°
C5	C4	H10	109.2°	109.5°
C4	C5	H12	109.0°	109.5°
C4	C5	H11	109.0°	109.5°
C5	C6	C7	111.8°	109.5°
C6	C5	H12	109.0°	109.5°
C6	C5	H11	109.0°	109.4°
C5	C6	H13	108.9°	109.4°
C5	C6	H14	108.9°	109.5°
C6	C7	C8	112.8°	109.4°
C7	C6	H13	108.9°	109.4°
C7	C6	H14	108.9°	109.5°
C6	C7	H15	108.7°	109.5°
C6	C7	H16	108.6°	109.5°
C7	C8	C3	111.8°	109.4°
C8	C7	H15	108.6°	109.5°
C8	C7	H16	108.7°	109.4°
C7	C8	H18	108.9°	109.5°
C7	C8	H17	108.9°	109.5°
C3	C8	H18	108.9°	109.4°
C3	C8	H17	108.9°	109.5°
C8	C3	H8	100.2°	109.5°
H9	C4	H10	109.5°	109.5°
H12	C5	H11	109.5°	109.5°
H13	C6	H14	109.4°	109.5°
H15	C7	H16	109.4°	109.5°
H18	C8	H17	109.5°	109.5°
H	C	H1	109.5°	109.5°
H	C	H2	109.4°	109.4°
H1	C	H2	109.5°	109.5°
H5	C2	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	C2	117.9°	119.9°
C	C1	O	H3	123.0°	120.1°
C	C1	C2	H3	123.0°	120.0°
C	C1	C2	N	163.7°	175.0°
C	C1	O	H4	180.0°	60.0°
C1	C	H	H1	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C	C1	C2	H5	43.4°	55.0°
C	C1	C2	H6	75.9°	65.0°
O	C1	C2	H3	120.3°	120.1°
O	C1	C2	N	79.6°	65.1°
O	C1	C	H	180.0°	59.9°
O	C1	C	H1	60.0°	180.0°
O	C1	C	H2	60.0°	60.1°
O	C1	C2	H5	160.1°	175.0°
O	C1	C2	H6	40.8°	54.9°
C1	C2	N	H5	120.3°	120.0°
C1	C2	N	H6	120.3°	120.0°
C1	C2	N	C3	152.3°	180.0°
C2	C1	O	H4	62.1°	59.9°
C2	C1	C	H	66.5°	60.0°
C2	C1	C	H1	173.5°	60.0°
C2	C1	C	H2	53.5°	180.0°
C1	C2	H5	H6	119.0°	120.0°
C1	C2	N	H19	31.0°	56.1°
C2	N	C3	H19	121.3°	124.0°
C2	N	C3	C4	132.6°	85.0°
C2	N	C3	C8	9.9°	155.0°
N	C2	C1	H3	40.7°	55.0°
N	C2	H5	H6	119.0°	120.0°
C2	N	C3	H8	121.6°	35.1°
N	C3	C4	C8	149.0°	120.0°
N	C3	C4	H8	105.9°	120.0°
N	C3	C4	C5	152.8°	180.0°
N	C3	C8	C7	162.3°	180.0°
N	C3	C8	H8	111.8°	120.0°
N	C3	C4	H9	32.6°	60.0°
N	C3	C4	H10	87.0°	60.0°
N	C3	C8	H18	41.9°	60.0°
N	C3	C8	H17	77.4°	60.0°
C3	N	C2	H5	87.4°	60.0°
C3	N	C2	H6	31.9°	60.0°
C3	C4	C5	H9	120.2°	120.0°
C3	C4	C5	H10	120.2°	119.9°
C3	C4	C5	C6	58.4°	60.0°
C4	C3	C8	C7	54.6°	60.0°
C4	C3	C8	H8	105.1°	120.0°
C3	C4	H9	H10	119.4°	120.0°
C3	C4	C5	H12	61.9°	59.9°
C3	C4	C5	H11	178.7°	180.0°
C4	C3	C8	H18	175.0°	180.0°
C4	C3	C8	H17	65.7°	60.0°
C4	C3	N	H19	106.1°	39.0°
C4	C5	C6	H12	120.3°	120.0°
C4	C5	C6	H11	120.3°	120.0°
C4	C5	C6	C7	54.2°	60.0°
C5	C4	C3	C8	58.2°	60.1°
C5	C4	H9	H10	119.5°	120.0°
C4	C5	H12	H11	119.1°	120.0°
C4	C5	C6	H13	174.6°	180.0°
C4	C5	C6	H14	66.1°	60.0°
C5	C4	C3	H8	46.9°	60.0°
C5	C6	C7	H13	120.4°	119.9°
C5	C6	C7	H14	120.4°	120.0°
C5	C6	C7	C8	50.8°	60.1°
C6	C5	C4	H9	178.6°	60.0°
C6	C5	C4	H10	61.8°	180.0°
C6	C5	H12	H11	119.1°	120.0°
C5	C6	H13	H14	118.9°	120.0°
C5	C6	C7	H15	69.7°	59.9°
C5	C6	C7	H16	171.3°	180.0°
C6	C7	C8	H15	120.5°	120.0°
C6	C7	C8	H16	120.5°	119.9°
C6	C7	C8	C3	51.0°	60.0°
C7	C6	C5	H12	66.1°	60.0°
C7	C6	C5	H11	174.5°	180.0°
C7	C6	H13	H14	118.9°	120.1°
C6	C7	H15	H16	118.5°	120.0°
C6	C7	C8	H18	171.4°	180.0°
C6	C7	C8	H17	69.3°	59.9°
C7	C8	C3	H18	120.4°	120.0°
C7	C8	C3	H17	120.3°	120.0°
C8	C7	C6	H13	171.2°	180.0°
C8	C7	C6	H14	69.6°	60.0°
C8	C7	H15	H16	118.5°	120.0°
C7	C8	H18	H17	118.9°	120.1°
C7	C8	C3	H8	50.5°	60.0°
C8	C3	C4	H9	178.4°	60.0°
C8	C3	C4	H10	62.0°	180.0°
C3	C8	C7	H15	69.5°	60.0°
C3	C8	C7	H16	171.5°	180.0°
C3	C8	H18	H17	119.0°	120.0°
C8	C3	N	H19	111.3°	81.0°
H9	C4	C5	H12	58.3°	179.9°
H9	C4	C5	H11	61.1°	60.0°
H9	C4	C3	H8	73.3°	180.0°
H10	C4	C5	H12	178.0°	60.0°
H10	C4	C5	H11	58.5°	60.1°
H10	C4	C3	H8	167.0°	60.0°
H12	C5	C6	H13	54.3°	60.0°
H12	C5	C6	H14	173.6°	180.0°
H11	C5	C6	H13	65.1°	60.1°
H11	C5	C6	H14	54.1°	60.0°
H13	C6	C7	H15	50.7°	60.0°
H13	C6	C7	H16	68.3°	60.1°
H14	C6	C7	H15	169.9°	179.9°
H14	C6	C7	H16	51.0°	60.0°
H15	C7	C8	H18	50.9°	59.9°
H15	C7	C8	H17	170.2°	180.0°
H16	C7	C8	H18	68.1°	60.1°
H16	C7	C8	H17	51.2°	60.0°
H18	C8	C3	H8	69.9°	60.0°
H17	C8	C3	H8	170.8°	180.0°
H4	O	C1	H3	57.0°	179.9°
H3	C1	C	H	56.2°	180.0°
H3	C1	C	H1	63.8°	60.0°
H3	C1	C	H2	176.2°	60.0°
H3	C1	C2	H5	79.6°	65.0°
H3	C1	C2	H6	161.1°	175.0°
H	C	H1	H2	119.9°	120.0°
H5	C2	N	H19	151.4°	176.1°
H6	C2	N	H19	89.3°	63.9°
H19	N	C3	H8	0.3°	159.0°

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