A1BMM

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	1.53Å
C3	C4	sing	1.50Å	1.52Å
C4	C5	sing	1.54Å	1.52Å
C5	N1	sing	1.48Å	1.47Å
N1	C6	sing	1.45Å	1.47Å
C6	C7	sing	1.55Å	1.53Å
N1	C8	sing	1.35Å	1.35Å
C8	O1	doub	1.22Å	1.23Å
C8	C9	sing	1.47Å	1.48Å
C9	C10	doub	1.35Å	1.36Å	Aromatic
C10	S1	sing	1.71Å	1.71Å	Aromatic
S1	C11	sing	1.71Å	1.70Å	Aromatic
C11	N2	doub	1.29Å	1.28Å	Aromatic
C2	C7	sing	1.47Å	1.53Å
C9	N2	sing	1.34Å	1.38Å	Aromatic
C4	H7	sing	1.09Å	1.10Å
C4	H8	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	H15	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H16	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	111.9°	108.5°
C1	C2	C7	111.0°	108.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.4°	109.5°
C1	C2	H4	107.4°	108.5°
C2	C3	C4	114.6°	109.5°
C3	C2	C7	111.9°	114.3°
C3	C2	H4	107.2°	108.5°
C2	C3	H5	108.2°	109.5°
C2	C3	H6	108.2°	109.5°
C3	C4	C5	114.4°	110.3°
C3	C4	H7	108.2°	109.2°
C3	C4	H8	108.2°	109.2°
C4	C3	H5	108.2°	109.4°
C4	C3	H6	108.2°	109.4°
C4	C5	N1	114.3°	112.1°
C5	C4	H7	108.2°	109.4°
C5	C4	H8	108.2°	109.3°
C4	C5	H9	108.2°	108.9°
C4	C5	H10	108.2°	109.0°
C5	N1	C6	116.2°	122.8°
C5	N1	C8	121.8°	118.6°
N1	C5	H9	108.3°	108.9°
N1	C5	H10	108.3°	109.0°
N1	C6	C7	114.6°	109.6°
C6	N1	C8	122.0°	118.6°
N1	C6	H11	108.2°	109.4°
N1	C6	H12	108.2°	109.4°
C6	C7	C2	116.2°	110.4°
C7	C6	H11	108.2°	109.5°
C7	C6	H12	108.2°	109.4°
C6	C7	H13	107.8°	109.3°
C6	C7	H14	107.8°	109.3°
N1	C8	O1	122.3°	120.0°
N1	C8	C9	120.5°	120.0°
O1	C8	C9	116.9°	120.0°
C8	C9	C10	121.3°	123.1°
C8	C9	N2	123.6°	123.1°
C9	C10	S1	109.4°	108.8°
C10	C9	N2	115.0°	113.8°
C9	C10	H15	125.3°	125.6°
C10	S1	C11	89.2°	91.1°
S1	C10	H15	125.3°	125.6°
S1	C11	N2	115.5°	110.6°
S1	C11	H16	122.2°	124.7°
C11	N2	C9	109.5°	115.7°
N2	C11	H16	122.2°	124.7°
C2	C7	H13	107.8°	109.4°
C2	C7	H14	107.8°	109.1°
C7	C2	H4	107.2°	108.4°
H7	C4	H8	109.5°	109.4°
H9	C5	H10	109.5°	108.9°
H11	C6	H12	109.5°	109.4°
H13	C7	H14	109.5°	109.3°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.4°
H5	C3	H6	109.4°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C7	125.3°	121.3°
C1	C2	C3	H4	117.5°	117.6°
C1	C2	C3	C4	145.1°	153.7°
C1	C2	C7	C6	178.9°	175.9°
C1	C2	C7	H4	117.0°	117.6°
C1	C2	C7	H13	60.1°	63.8°
C1	C2	C7	H14	57.9°	55.8°
C2	C1	H1	H2	120.0°	120.1°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H5	94.2°	33.8°
C1	C2	C3	H6	24.3°	86.3°
C2	C3	C4	H5	120.8°	120.0°
C2	C3	C4	H6	120.8°	119.9°
C2	C3	C4	C5	65.0°	91.8°
C3	C2	C7	C6	55.3°	62.8°
C3	C2	C7	H4	117.3°	121.1°
C2	C3	C4	H7	174.2°	28.4°
C2	C3	C4	H8	55.7°	148.0°
C3	C2	C7	H13	65.7°	57.5°
C3	C2	C7	H14	176.3°	177.1°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H2	60.0°	180.0°
C3	C2	C1	H3	60.0°	60.0°
C2	C3	H5	H6	117.6°	120.1°
C3	C4	C5	H7	120.8°	120.1°
C3	C4	C5	H8	120.7°	120.1°
C3	C4	C5	N1	52.0°	40.6°
C4	C3	C2	C7	89.6°	85.0°
C3	C4	H7	H8	117.7°	119.4°
C3	C4	C5	H9	68.8°	161.2°
C3	C4	C5	H10	172.7°	80.2°
C4	C3	C2	H4	27.6°	36.1°
C4	C3	H5	H6	117.7°	120.0°
C4	C5	N1	H9	120.7°	120.6°
C4	C5	N1	H10	120.7°	120.7°
C4	C5	N1	C6	80.5°	42.1°
C4	C5	N1	C8	97.8°	137.6°
C5	C4	H7	H8	117.7°	119.7°
C4	C5	H9	H10	117.8°	118.7°
C5	C4	C3	H5	55.7°	148.2°
C5	C4	C3	H6	174.2°	28.1°
C5	N1	C6	C8	178.2°	179.7°
C5	N1	C6	C7	84.3°	90.4°
C5	N1	C8	O1	166.1°	1.8°
C5	N1	C8	C9	19.2°	178.2°
N1	C5	C4	H7	172.7°	79.6°
N1	C5	C4	H8	68.7°	160.7°
N1	C5	H9	H10	117.8°	118.7°
C5	N1	C6	H11	36.4°	149.5°
C5	N1	C6	H12	154.9°	29.6°
N1	C6	C7	H11	120.8°	120.1°
N1	C6	C7	H12	120.8°	120.0°
C6	N1	C8	O1	12.1°	177.9°
C6	N1	C8	C9	162.7°	2.1°
N1	C6	C7	C2	19.2°	71.3°
C6	N1	C5	H9	40.3°	78.5°
C6	N1	C5	H10	158.9°	162.8°
N1	C6	H11	H12	117.7°	119.9°
N1	C6	C7	H13	140.2°	49.1°
N1	C6	C7	H14	101.7°	168.7°
C7	C6	N1	C8	93.9°	89.3°
C6	C7	C2	H13	121.0°	120.3°
C6	C7	C2	H14	121.0°	120.1°
C7	C6	H11	H12	117.7°	120.0°
C6	C7	H13	H14	117.0°	119.6°
C6	C7	C2	H4	62.0°	58.3°
N1	C8	O1	C9	174.9°	180.0°
N1	C8	C9	C10	155.5°	172.9°
N1	C8	C9	N2	28.3°	7.1°
C8	N1	C5	H9	141.5°	101.8°
C8	N1	C5	H10	22.9°	16.9°
C8	N1	C6	H11	145.3°	30.8°
C8	N1	C6	H12	26.9°	150.7°
O1	C8	C9	C10	29.5°	7.1°
O1	C8	C9	N2	146.7°	172.9°
C8	C9	C10	N2	176.5°	180.0°
C8	C9	C10	S1	178.1°	180.0°
C8	C9	N2	C11	174.4°	180.0°
C8	C9	C10	H15	1.9°	0.3°
C9	C10	S1	H15	180.0°	179.7°
C9	C10	S1	C11	4.6°	0.0°
C10	C9	N2	C11	9.2°	0.0°
C10	S1	C11	N2	10.6°	0.0°
S1	C10	C9	N2	1.6°	0.0°
C10	S1	C11	H16	169.4°	180.0°
S1	C11	N2	H16	180.0°	180.0°
S1	C11	N2	C9	13.0°	0.0°
C11	S1	C10	H15	175.4°	179.7°
C2	C7	C6	H11	101.5°	168.7°
C2	C7	C6	H12	140.0°	48.7°
C2	C7	H13	H14	116.9°	119.4°
C7	C2	C1	H1	54.2°	64.8°
C7	C2	C1	H2	174.2°	55.3°
C7	C2	C1	H3	65.8°	175.3°
C7	C2	C3	H5	31.2°	155.1°
C7	C2	C3	H6	149.6°	34.9°
N2	C9	C10	H15	178.5°	179.7°
C9	N2	C11	H16	167.0°	180.0°
H7	C4	C5	H9	52.0°	41.0°
H7	C4	C5	H10	66.6°	159.7°
H7	C4	C3	H5	65.0°	91.5°
H7	C4	C3	H6	53.5°	148.4°
H8	C4	C5	H9	170.5°	78.7°
H8	C4	C5	H10	52.0°	39.9°
H8	C4	C3	H5	176.5°	28.0°
H8	C4	C3	H6	65.1°	92.1°
H11	C6	C7	H13	19.4°	71.0°
H11	C6	C7	H14	137.5°	48.6°
H12	C6	C7	H13	99.1°	169.0°
H12	C6	C7	H14	19.0°	71.3°
H13	C7	C2	H4	177.1°	178.6°
H14	C7	C2	H4	59.0°	61.8°
H1	C1	H2	H3	120.0°	119.9°
H1	C1	C2	H4	62.6°	177.7°
H2	C1	C2	H4	57.4°	62.3°
H3	C1	C2	H4	177.4°	57.7°
H4	C2	C3	H5	148.4°	83.9°
H4	C2	C3	H6	93.1°	156.0°

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