A1AM6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.52Å
N	C1	sing	1.47Å	1.48Å
N	C3	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.47Å
N1	C5	sing	1.47Å	1.47Å
C5	C6	sing	1.53Å	1.52Å
C6	N	sing	1.47Å	1.47Å
C7	N1	sing	1.38Å	1.37Å
C7	N2	doub	1.33Å	1.35Å	Aromatic
N2	C8	sing	1.32Å	1.34Å	Aromatic
C8	C9	doub	1.39Å	1.38Å	Aromatic
C9	C10	sing	1.39Å	1.38Å	Aromatic
C10	N3	doub	1.32Å	1.34Å	Aromatic
N3	C7	sing	1.33Å	1.35Å	Aromatic
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
C6	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.08Å	1.08Å
C10	H17	sing	1.08Å	1.08Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C9	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	110.6°	109.5°
C	C1	N	113.4°	109.5°
C1	C	H1	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H2	109.5°	109.4°
C	C1	H3	106.6°	109.5°
C2	C1	N	112.2°	109.5°
C2	C1	H3	106.6°	109.4°
C1	C2	H4	109.5°	109.4°
C1	C2	H5	109.4°	109.5°
C1	C2	H6	109.5°	109.4°
C1	N	C3	114.7°	111.0°
C1	N	C6	115.2°	111.0°
N	C1	H3	107.0°	109.5°
N	C3	C4	111.0°	109.4°
C3	N	C6	109.9°	110.9°
N	C3	H7	109.1°	109.5°
N	C3	H8	109.1°	109.5°
C3	C4	N1	111.5°	109.4°
C3	C4	H9	109.0°	109.5°
C3	C4	H10	109.0°	109.6°
C4	C3	H7	109.1°	109.5°
C4	C3	H8	109.1°	109.5°
C4	N1	C5	111.3°	110.9°
C4	N1	C7	121.6°	111.0°
N1	C4	H9	109.0°	109.5°
N1	C4	H10	109.0°	109.5°
N1	C5	C6	110.9°	109.3°
C5	N1	C7	123.5°	111.0°
N1	C5	H11	109.1°	109.5°
N1	C5	H12	109.1°	109.5°
C5	C6	N	112.4°	109.3°
C6	C5	H11	109.1°	109.5°
C6	C5	H12	109.1°	109.5°
C5	C6	H13	108.7°	109.5°
C5	C6	H14	108.7°	109.5°
N	C6	H13	108.7°	109.5°
N	C6	H14	108.8°	109.5°
N1	C7	N2	116.8°	119.3°
N1	C7	N3	116.9°	119.2°
C7	N2	C8	115.5°	120.7°
N2	C7	N3	126.2°	121.6°
N2	C8	C9	123.5°	119.2°
N2	C8	H15	118.2°	120.4°
C8	C9	C10	115.8°	118.5°
C9	C8	H15	118.2°	120.4°
C8	C9	H16	122.1°	120.7°
C9	C10	N3	123.6°	119.2°
C9	C10	H17	118.2°	120.4°
C10	C9	H16	122.1°	120.7°
C10	N3	C7	115.3°	120.7°
N3	C10	H17	118.2°	120.4°
H9	C4	H10	109.4°	109.5°
H11	C5	H12	109.5°	109.6°
H13	C6	H14	109.4°	109.6°
H1	C	H	109.5°	109.5°
H1	C	H2	109.5°	109.5°
H	C	H2	109.5°	109.5°
H4	C2	H5	109.5°	109.5°
H4	C2	H6	109.5°	109.5°
H5	C2	H6	109.5°	109.5°
H7	C3	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	N	127.7°	120.0°
C	C1	C2	H3	115.4°	120.0°
C	C1	N	H3	117.2°	120.0°
C	C1	N	C3	176.9°	61.2°
C	C1	N	C6	47.7°	175.0°
C1	C	H1	H	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C1	C	H	H2	120.0°	119.9°
C	C1	C2	H4	180.0°	180.0°
C	C1	C2	H5	60.0°	60.0°
C	C1	C2	H6	60.0°	60.0°
C2	C1	N	H3	116.6°	120.0°
C2	C1	N	C3	57.0°	58.8°
C2	C1	N	C6	173.9°	65.0°
C2	C1	C	H1	180.0°	180.0°
C2	C1	C	H	60.0°	60.0°
C2	C1	C	H2	60.0°	60.0°
C1	C2	H4	H5	120.0°	120.0°
C1	C2	H4	H6	120.0°	119.9°
C1	C2	H5	H6	120.0°	120.0°
C1	N	C3	C6	131.7°	123.9°
C1	N	C3	C4	168.2°	176.8°
C1	N	C6	C5	140.8°	176.8°
C1	N	C6	H13	20.4°	63.3°
C1	N	C6	H14	98.7°	56.9°
N	C1	C	H1	53.0°	60.0°
N	C1	C	H	67.0°	60.0°
N	C1	C	H2	173.0°	180.0°
N	C1	C2	H4	52.3°	60.0°
N	C1	C2	H5	172.3°	180.0°
N	C1	C2	H6	67.7°	60.0°
C1	N	C3	H7	71.6°	56.8°
C1	N	C3	H8	47.9°	63.2°
N	C3	C4	H7	120.2°	120.0°
N	C3	C4	H8	120.2°	120.0°
N	C3	C4	N1	51.7°	58.3°
C3	N	C6	C5	9.4°	59.3°
N	C3	C4	H9	172.1°	61.6°
N	C3	C4	H10	68.6°	178.4°
C3	N	C6	H13	111.0°	60.6°
C3	N	C6	H14	129.9°	179.2°
C3	N	C1	H3	59.6°	178.8°
N	C3	H7	H8	119.3°	120.0°
C3	C4	N1	H9	120.3°	119.9°
C3	C4	N1	H10	120.3°	120.1°
C3	C4	N1	C5	8.1°	59.3°
C4	C3	N	C6	60.2°	59.3°
C3	C4	N1	C7	151.2°	176.9°
C3	C4	H9	H10	119.1°	120.1°
C4	C3	H7	H8	119.3°	120.0°
C4	N1	C5	C7	158.8°	123.9°
C4	N1	C5	C6	58.3°	59.3°
C4	N1	C7	N2	15.8°	123.8°
C4	N1	C7	N3	161.9°	56.2°
N1	C4	H9	H10	119.1°	120.0°
C4	N1	C5	H11	61.9°	179.3°
C4	N1	C5	H12	178.5°	60.6°
N1	C4	C3	H7	68.5°	178.4°
N1	C4	C3	H8	172.0°	61.6°
N1	C5	C6	H11	120.2°	120.0°
N1	C5	C6	H12	120.2°	119.9°
N1	C5	C6	N	49.6°	58.4°
C5	N1	C7	N2	172.5°	0.0°
C5	N1	C7	N3	5.2°	180.0°
C5	N1	C4	H9	112.2°	60.6°
C5	N1	C4	H10	128.4°	179.4°
N1	C5	H11	H12	119.4°	120.1°
N1	C5	C6	H13	170.1°	61.6°
N1	C5	C6	H14	70.9°	178.4°
C5	C6	N	H13	120.4°	119.9°
C5	C6	N	H14	120.5°	119.9°
C6	C5	N1	C7	100.5°	176.8°
C6	C5	H11	H12	119.3°	120.1°
C5	C6	H13	H14	118.6°	120.0°
N	C6	C5	H11	70.6°	178.3°
N	C6	C5	H12	169.8°	61.5°
N	C6	H13	H14	118.7°	120.1°
C6	N	C1	H3	69.5°	55.0°
C6	N	C3	H7	60.1°	179.3°
C6	N	C3	H8	179.6°	60.6°
N1	C7	N2	N3	177.5°	180.0°
N1	C7	N2	C8	175.8°	180.0°
N1	C7	N3	C10	176.2°	180.0°
C7	N1	C4	H9	88.5°	63.2°
C7	N1	C4	H10	30.9°	56.8°
C7	N1	C5	H11	139.3°	56.9°
C7	N1	C5	H12	19.7°	63.3°
C7	N2	C8	C9	0.6°	0.0°
N2	C7	N3	C10	1.3°	0.0°
C7	N2	C8	H15	179.4°	180.0°
N2	C8	C9	H15	180.0°	180.0°
N2	C8	C9	C10	0.7°	0.0°
C8	N2	C7	N3	1.7°	0.0°
N2	C8	C9	H16	179.3°	180.0°
C8	C9	C10	H16	180.0°	179.9°
C8	C9	C10	N3	1.1°	0.0°
C8	C9	C10	H17	178.9°	180.0°
C9	C10	N3	H17	180.0°	180.0°
C9	C10	N3	C7	0.2°	0.0°
C10	C9	C8	H15	179.3°	180.0°
N3	C10	C9	H16	178.9°	179.9°
C7	N3	C10	H17	179.8°	180.0°
H9	C4	C3	H7	51.9°	58.4°
H9	C4	C3	H8	67.7°	178.5°
H10	C4	C3	H7	171.2°	61.6°
H10	C4	C3	H8	51.7°	58.4°
H11	C5	C6	H13	49.8°	58.4°
H11	C5	C6	H14	168.9°	61.7°
H12	C5	C6	H13	69.7°	178.5°
H12	C5	C6	H14	49.3°	58.4°
H15	C8	C9	H16	0.7°	0.0°
H17	C10	C9	H16	1.1°	0.0°
H1	C	H	H2	120.0°	120.1°
H1	C	C1	H3	64.5°	60.1°
H	C	C1	H3	175.5°	179.9°
H2	C	C1	H3	55.5°	60.0°
H3	C1	C2	H4	64.6°	60.0°
H3	C1	C2	H5	55.4°	59.9°
H3	C1	C2	H6	175.4°	180.0°
H4	C2	H5	H6	120.0°	120.0°

Release date:	2024-04-24
Definition date:	2024-04-15
Last modified:	2024-04-19
Release status:	REL
Processing site:	RCSB
Derived from:	7H3Q