A1BMR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.54Å
C3	O1	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.53Å
C6	N1	sing	1.47Å	1.47Å
N1	C7	sing	1.47Å	1.47Å
C7	C8	sing	1.51Å	1.51Å
C8	C9	doub	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.37Å	Aromatic
C11	C12	sing	1.38Å	1.37Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C2	N1	sing	1.47Å	1.49Å
C8	C13	sing	1.38Å	1.38Å	Aromatic
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C10	H16	sing	1.08Å	1.08Å
C13	H19	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C11	H17	sing	1.08Å	1.08Å
C12	H18	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C9	H15	sing	1.08Å	1.08Å
O1	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	111.9°	109.5°
C1	C2	N1	113.9°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C1	C2	H4	106.5°	109.5°
C2	C3	O1	108.1°	109.5°
C2	C3	C4	112.4°	109.2°
C3	C2	N1	110.8°	109.5°
C3	C2	H4	106.3°	109.4°
C2	C3	H5	108.0°	109.5°
O1	C3	C4	110.6°	109.5°
O1	C3	H5	109.5°	109.6°
C3	O1	H6	109.5°	114.0°
C3	C4	C5	111.5°	109.2°
C3	C4	H8	109.0°	109.5°
C3	C4	H7	109.0°	109.5°
C4	C3	H5	108.2°	109.5°
C4	C5	C6	111.3°	109.3°
C5	C4	H8	108.9°	109.5°
C5	C4	H7	109.0°	109.5°
C4	C5	H9	109.0°	109.5°
C4	C5	H10	109.0°	109.5°
C5	C6	N1	112.3°	109.5°
C6	C5	H9	109.0°	109.5°
C6	C5	H10	109.0°	109.5°
C5	C6	H11	108.8°	109.4°
C5	C6	H12	108.8°	109.5°
C6	N1	C7	111.5°	111.0°
C6	N1	C2	111.6°	111.2°
N1	C6	H11	108.7°	109.4°
N1	C6	H12	108.7°	109.5°
N1	C7	C8	113.3°	109.5°
C7	N1	C2	114.1°	111.0°
N1	C7	H13	108.5°	109.5°
N1	C7	H14	108.5°	109.5°
C7	C8	C9	120.6°	120.0°
C7	C8	C13	120.9°	120.0°
C8	C7	H13	108.5°	109.5°
C8	C7	H14	108.5°	109.5°
C8	C9	C10	120.8°	120.0°
C9	C8	C13	118.5°	120.0°
C8	C9	H15	119.6°	120.0°
C9	C10	C11	120.0°	120.0°
C9	C10	H16	119.9°	120.0°
C10	C9	H15	119.6°	120.0°
C10	C11	C12	119.9°	120.0°
C11	C10	H16	120.0°	120.0°
C10	C11	H17	120.0°	120.0°
C11	C12	C13	120.2°	120.0°
C12	C11	H17	120.0°	120.0°
C11	C12	H18	119.9°	120.0°
C12	C13	C8	120.6°	120.0°
C12	C13	H19	119.7°	120.0°
C13	C12	H18	119.9°	120.0°
N1	C2	H4	106.9°	109.5°
C8	C13	H19	119.7°	120.0°
H8	C4	H7	109.5°	109.5°
H9	C5	H10	109.4°	109.5°
H11	C6	H12	109.5°	109.5°
H13	C7	H14	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H2	C1	H1	109.5°	109.5°
H3	C1	H1	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N1	128.3°	120.0°
C1	C2	C3	H4	115.9°	120.0°
C1	C2	C3	O1	107.7°	179.2°
C1	C2	C3	C4	130.0°	60.8°
C1	C2	N1	C6	72.2°	58.3°
C1	C2	N1	C7	55.2°	65.8°
C1	C2	N1	H4	117.3°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C1	C2	C3	H5	10.6°	59.1°
C2	C3	O1	C4	123.4°	119.8°
C2	C3	O1	H5	117.4°	120.1°
C2	C3	C4	H5	119.2°	119.9°
C2	C3	C4	C5	52.7°	57.7°
C3	C2	N1	C6	55.0°	61.7°
C3	C2	N1	C7	177.6°	174.1°
C3	C2	N1	H4	115.4°	120.0°
C2	C3	C4	H8	67.6°	62.3°
C2	C3	C4	H7	173.0°	177.6°
C3	C2	C1	H2	180.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	C1	H1	60.0°	60.0°
C2	C3	O1	H6	180.0°	179.9°
O1	C3	C4	H5	120.0°	120.2°
O1	C3	C4	C5	173.6°	62.2°
O1	C3	C2	N1	123.9°	60.7°
O1	C3	C4	H8	53.3°	177.8°
O1	C3	C4	H7	66.1°	57.7°
O1	C3	C2	H4	8.1°	59.3°
C3	C4	C5	H8	120.3°	120.0°
C3	C4	C5	H7	120.3°	119.9°
C3	C4	C5	C6	47.9°	57.7°
C4	C3	C2	N1	1.6°	59.2°
C3	C4	H8	H7	119.1°	120.1°
C3	C4	C5	H9	168.2°	62.2°
C3	C4	C5	H10	72.4°	177.7°
C4	C3	C2	H4	114.2°	179.2°
C4	C3	O1	H6	56.6°	60.3°
C4	C5	C6	H9	120.3°	119.9°
C4	C5	C6	H10	120.3°	120.0°
C4	C5	C6	N1	7.1°	59.1°
C5	C4	H8	H7	119.1°	120.1°
C4	C5	H9	H10	119.1°	120.1°
C4	C5	C6	H11	127.5°	60.8°
C4	C5	C6	H12	113.3°	179.2°
C5	C4	C3	H5	66.5°	177.6°
C5	C6	N1	H11	120.4°	119.9°
C5	C6	N1	H12	120.4°	120.1°
C5	C6	N1	C7	170.8°	174.2°
C5	C6	N1	C2	60.4°	61.7°
C6	C5	C4	H8	72.4°	62.3°
C6	C5	C4	H7	168.2°	177.6°
C6	C5	H9	H10	119.2°	120.1°
C5	C6	H11	H12	118.8°	120.0°
C6	N1	C7	C2	127.4°	124.3°
C6	N1	C7	C8	97.0°	66.0°
N1	C6	C5	H9	113.2°	60.8°
N1	C6	C5	H10	127.4°	179.1°
N1	C6	H11	H12	118.7°	120.0°
C6	N1	C7	H13	23.5°	54.0°
C6	N1	C7	H14	142.4°	174.0°
C6	N1	C2	H4	170.4°	178.3°
N1	C7	C8	H13	120.6°	120.0°
N1	C7	C8	H14	120.5°	120.0°
N1	C7	C8	C9	88.8°	90.0°
N1	C7	C8	C13	92.4°	89.7°
C7	N1	C6	H11	50.3°	65.9°
C7	N1	C6	H12	68.8°	54.1°
N1	C7	H13	H14	118.3°	120.0°
C7	N1	C2	H4	62.2°	54.2°
C7	C8	C9	C13	178.9°	179.6°
C7	C8	C9	C10	179.9°	180.0°
C7	C8	C13	C12	179.9°	180.0°
C8	C7	N1	C2	135.5°	169.7°
C8	C7	H13	H14	118.3°	120.0°
C7	C8	C13	H19	0.1°	0.1°
C7	C8	C9	H15	0.1°	0.0°
C8	C9	C10	H15	180.0°	180.0°
C8	C9	C10	C11	0.3°	0.0°
C9	C8	C13	C12	1.0°	0.3°
C9	C8	C7	H13	150.7°	30.1°
C9	C8	C7	H14	31.8°	150.0°
C8	C9	C10	H16	179.7°	179.7°
C9	C8	C13	H19	179.0°	179.7°
C9	C10	C11	H16	180.0°	179.7°
C9	C10	C11	C12	0.4°	0.3°
C10	C9	C8	C13	1.0°	0.3°
C9	C10	C11	H17	179.6°	179.7°
C10	C11	C12	H17	180.0°	180.0°
C10	C11	C12	C13	0.4°	0.3°
C10	C11	C12	H18	179.6°	179.7°
C11	C10	C9	H15	179.7°	180.0°
C11	C12	C13	H18	180.0°	180.0°
C11	C12	C13	C8	0.3°	0.1°
C12	C11	C10	H16	179.6°	180.0°
C11	C12	C13	H19	179.7°	180.0°
C12	C13	C8	H19	180.0°	179.9°
C13	C12	C11	H17	179.6°	179.8°
C2	N1	C6	H11	179.1°	58.3°
C2	N1	C6	H12	60.0°	178.2°
C2	N1	C7	H13	103.9°	70.3°
C2	N1	C7	H14	15.0°	49.7°
N1	C2	C1	H2	53.4°	180.0°
N1	C2	C1	H3	66.6°	59.9°
N1	C2	C1	H1	173.4°	60.0°
N1	C2	C3	H5	117.7°	179.1°
C13	C8	C7	H13	28.2°	150.3°
C13	C8	C7	H14	147.1°	30.3°
C8	C13	C12	H18	179.7°	180.0°
C13	C8	C9	H15	179.0°	179.7°
H8	C4	C5	H9	47.9°	177.8°
H8	C4	C5	H10	167.3°	57.7°
H8	C4	C3	H5	173.3°	57.7°
H7	C4	C5	H9	71.5°	57.7°
H7	C4	C5	H10	47.9°	62.4°
H7	C4	C3	H5	53.8°	62.5°
H9	C5	C6	H11	7.2°	179.3°
H9	C5	C6	H12	126.4°	59.2°
H10	C5	C6	H11	112.2°	59.2°
H10	C5	C6	H12	7.0°	60.8°
H16	C10	C11	H17	0.4°	0.1°
H16	C10	C9	H15	0.3°	0.3°
H19	C13	C12	H18	0.3°	0.0°
H2	C1	H3	H1	120.0°	120.0°
H2	C1	C2	H4	64.2°	60.0°
H3	C1	C2	H4	175.8°	60.1°
H1	C1	C2	H4	55.8°	179.9°
H17	C11	C12	H18	0.4°	0.3°
H4	C2	C3	H5	126.5°	60.8°
H5	C3	O1	H6	62.6°	59.9°

Release date:	2025-08-13
Definition date:	2024-12-23
Last modified:	2025-08-08
Release status:	REL
Processing site:	RCSB
Derived from:	7HSN