A1B10

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	1.51Å	1.52Å
O	C2	doub	1.21Å	1.21Å
C2	N	sing	1.35Å	1.36Å
N	C3	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.51Å
C4	C5	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.51Å	1.52Å
N1	C7	sing	1.35Å	1.32Å
C7	O1	doub	1.21Å	1.23Å
C8	C6	sing	1.53Å	1.53Å
N	C8	sing	1.47Å	1.47Å
C9	C1	sing	1.51Å	1.52Å
C9	N2	doub	1.30Å	1.29Å	Aromatic
N2	O2	sing	1.41Å	1.43Å	Aromatic
O2	C10	sing	1.35Å	1.36Å	Aromatic
C10	C11	doub	1.39Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.39Å	1.38Å	Aromatic
C13	C14	sing	1.37Å	1.39Å	Aromatic
C14	C15	doub	1.40Å	1.39Å	Aromatic
C15	C9	sing	1.47Å	1.46Å	Aromatic
C10	C15	sing	1.40Å	1.38Å	Aromatic
N1	H12	sing	0.97Å	1.00Å
N1	H11	sing	0.97Å	1.00Å
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	H1	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C13	H17	sing	1.08Å	1.08Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C14	H18	sing	1.08Å	1.08Å
C12	H16	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	113.2°	109.5°
C	C1	C9	106.4°	109.5°
C	C1	H	110.1°	109.5°
C1	C	H2	109.5°	109.5°
C1	C	H4	109.5°	109.5°
C1	C	H3	109.5°	109.4°
C1	C2	O	118.0°	120.0°
C1	C2	N	121.3°	120.0°
C2	C1	C9	106.7°	109.4°
C2	C1	H	110.2°	109.5°
O	C2	N	120.6°	120.0°
C2	N	C3	134.6°	120.6°
C2	N	C8	114.9°	120.6°
N	C3	C4	111.7°	108.8°
C3	N	C8	110.3°	118.7°
N	C3	H5	108.9°	109.5°
N	C3	H6	108.9°	109.7°
C3	C4	C5	111.2°	109.3°
C3	C4	H7	109.0°	109.5°
C3	C4	H8	109.0°	109.5°
C4	C3	H5	108.9°	109.6°
C4	C3	H6	108.9°	109.6°
C4	C5	C6	110.8°	109.6°
C5	C4	H7	109.0°	109.5°
C5	C4	H8	109.0°	109.5°
C4	C5	H9	109.1°	109.4°
C4	C5	H10	109.1°	109.5°
C5	C6	C7	110.6°	109.5°
C5	C6	C8	105.0°	109.3°
C6	C5	H9	109.2°	109.5°
C6	C5	H10	109.1°	109.5°
C5	C6	H1	109.2°	109.5°
C6	C7	N1	116.1°	120.0°
C6	C7	O1	121.1°	120.0°
C7	C6	C8	113.5°	109.5°
C7	C6	H1	109.3°	109.5°
N1	C7	O1	122.8°	120.0°
C7	N1	H12	120.0°	120.0°
C7	N1	H11	120.0°	120.0°
C6	C8	N	110.5°	108.8°
C8	C6	H1	109.2°	109.5°
C6	C8	H13	109.2°	109.6°
C6	C8	H14	109.2°	109.6°
N	C8	H13	109.2°	109.5°
N	C8	H14	109.2°	109.7°
C1	C9	N2	123.4°	126.3°
C1	C9	C15	125.1°	126.3°
C9	C1	H	110.2°	109.4°
C9	N2	O2	107.4°	109.8°
N2	C9	C15	111.5°	107.4°
N2	O2	C10	107.5°	109.3°
O2	C10	C11	126.4°	133.4°
O2	C10	C15	110.3°	107.1°
C10	C11	C12	118.0°	119.8°
C11	C10	C15	123.0°	119.4°
C10	C11	H15	121.0°	120.1°
C11	C12	C13	120.4°	120.6°
C11	C12	H16	119.8°	119.7°
C12	C11	H15	121.0°	120.1°
C12	C13	C14	120.7°	120.5°
C12	C13	H17	119.7°	119.8°
C13	C12	H16	119.8°	119.7°
C13	C14	C15	119.7°	119.8°
C14	C13	H17	119.7°	119.7°
C13	C14	H18	120.1°	120.2°
C14	C15	C9	138.0°	133.7°
C14	C15	C10	118.2°	119.9°
C15	C14	H18	120.2°	120.1°
C9	C15	C10	103.2°	106.4°
H12	N1	H11	120.0°	120.0°
H7	C4	H8	109.5°	109.5°
H9	C5	H10	109.5°	109.4°
H13	C8	H14	109.5°	109.6°
H5	C3	H6	109.5°	109.6°
H2	C	H4	109.5°	109.5°
H2	C	H3	109.5°	109.5°
H4	C	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C9	116.7°	120.0°
C	C1	C2	H	123.7°	120.1°
C	C1	C2	O	156.4°	99.8°
C	C1	C2	N	28.1°	80.1°
C	C1	C9	H	119.3°	120.0°
C	C1	C9	N2	96.5°	59.9°
C	C1	C9	C15	86.9°	119.9°
C1	C	H2	H4	120.0°	120.0°
C1	C	H2	H3	120.0°	120.0°
C1	C	H4	H3	120.0°	120.0°
C1	C2	O	N	175.5°	179.9°
C1	C2	N	C3	48.1°	175.8°
C1	C2	N	C8	136.2°	4.3°
C2	C1	C9	H	119.6°	119.9°
C2	C1	C9	N2	142.4°	60.1°
C2	C1	C9	C15	34.3°	120.0°
C2	C1	C	H2	180.0°	57.7°
C2	C1	C	H4	60.0°	62.3°
C2	C1	C	H3	60.0°	177.7°
O	C2	N	C3	136.6°	4.1°
O	C2	N	C8	39.2°	175.8°
O	C2	C1	C9	39.7°	20.2°
O	C2	C1	H	79.9°	140.1°
C2	N	C3	C8	175.9°	180.0°
C2	N	C3	C4	119.5°	126.4°
C2	N	C8	C6	112.6°	126.4°
N	C2	C1	C9	144.8°	159.9°
C2	N	C8	H13	127.3°	113.8°
C2	N	C8	H14	7.6°	6.5°
C2	N	C3	H5	120.2°	6.6°
C2	N	C3	H6	0.8°	113.8°
N	C2	C1	H	95.6°	40.0°
N	C3	C4	H5	120.3°	119.8°
N	C3	C4	H6	120.3°	119.9°
N	C3	C4	C5	51.9°	54.6°
C3	N	C8	C6	64.2°	53.6°
N	C3	C4	H7	172.2°	65.3°
N	C3	C4	H8	68.3°	174.6°
C3	N	C8	H13	55.9°	66.2°
C3	N	C8	H14	175.6°	173.5°
N	C3	H5	H6	119.0°	120.4°
C3	C4	C5	H7	120.3°	119.9°
C3	C4	C5	H8	120.3°	120.0°
C3	C4	C5	C6	55.0°	61.3°
C4	C3	N	C8	56.4°	53.6°
C3	C4	H7	H8	119.2°	120.1°
C3	C4	C5	H9	65.2°	58.7°
C3	C4	C5	H10	175.2°	178.6°
C4	C3	H5	H6	119.0°	120.3°
C4	C5	C6	H9	120.2°	120.0°
C4	C5	C6	H10	120.2°	120.0°
C4	C5	C6	C7	177.9°	178.7°
C4	C5	C6	C8	59.4°	61.4°
C5	C4	H7	H8	119.2°	120.1°
C4	C5	H9	H10	119.4°	119.9°
C4	C5	C6	H1	57.6°	58.6°
C5	C4	C3	H5	68.4°	174.4°
C5	C4	C3	H6	172.2°	65.3°
C5	C6	C7	C8	117.7°	119.9°
C5	C6	C7	H1	120.3°	120.0°
C5	C6	C7	N1	113.9°	60.0°
C5	C6	C7	O1	65.1°	120.0°
C5	C6	C8	H1	117.0°	120.0°
C5	C6	C8	N	64.5°	54.6°
C6	C5	C4	H7	175.2°	58.5°
C6	C5	C4	H8	65.3°	178.7°
C6	C5	H9	H10	119.4°	120.0°
C5	C6	C8	H13	55.7°	65.1°
C5	C6	C8	H14	175.3°	174.6°
C6	C7	N1	O1	179.0°	180.0°
C7	C6	C8	H1	122.1°	120.1°
C7	C6	C8	N	174.6°	174.6°
C6	C7	N1	H12	179.1°	0.0°
C6	C7	N1	H11	0.9°	179.7°
C7	C6	C5	H9	61.9°	61.3°
C7	C6	C5	H10	57.7°	58.6°
C7	C6	C8	H13	65.2°	54.8°
C7	C6	C8	H14	54.5°	65.5°
N1	C7	C6	C8	128.4°	179.9°
C7	N1	H12	H11	180.0°	179.7°
N1	C7	C6	H1	6.3°	60.0°
O1	C7	C6	C8	52.5°	0.2°
O1	C7	N1	H12	0.0°	180.0°
O1	C7	N1	H11	180.0°	0.3°
O1	C7	C6	H1	174.6°	119.9°
C6	C8	N	H13	120.1°	119.8°
C6	C8	N	H14	120.2°	119.9°
C8	C6	C5	H9	60.8°	58.7°
C8	C6	C5	H10	179.6°	178.6°
C6	C8	H13	H14	119.5°	120.3°
N	C8	C6	H1	52.5°	65.4°
N	C8	H13	H14	119.5°	120.4°
C8	N	C3	H5	63.9°	173.4°
C8	N	C3	H6	176.7°	66.3°
C1	C9	N2	C15	177.1°	179.9°
C1	C9	N2	O2	176.5°	179.7°
C1	C9	C15	C14	5.1°	0.1°
C1	C9	C15	C10	175.8°	180.0°
C9	C1	C	H2	63.2°	62.3°
C9	C1	C	H4	56.8°	177.7°
C9	C1	C	H3	176.8°	57.7°
C9	N2	O2	C10	0.4°	0.4°
N2	C9	C15	C14	172.0°	180.0°
N2	C9	C15	C10	1.3°	0.1°
N2	C9	C1	H	22.8°	180.0°
N2	O2	C10	C11	173.3°	180.0°
O2	N2	C9	C15	0.5°	0.2°
N2	O2	C10	C15	1.3°	0.4°
O2	C10	C11	C15	173.9°	179.6°
O2	C10	C11	C12	173.3°	179.7°
O2	C10	C15	C14	174.5°	179.8°
O2	C10	C15	C9	1.5°	0.3°
O2	C10	C11	H15	6.8°	0.4°
C10	C11	C12	H15	180.0°	179.9°
C10	C11	C12	C13	0.3°	0.1°
C11	C10	C15	C14	0.3°	0.1°
C11	C10	C15	C9	173.3°	180.0°
C10	C11	C12	H16	179.7°	179.9°
C11	C12	C13	H16	180.0°	180.0°
C11	C12	C13	C14	0.4°	0.1°
C12	C11	C10	C15	0.7°	0.1°
C11	C12	C13	H17	179.6°	180.0°
C12	C13	C14	H17	180.0°	179.9°
C12	C13	C14	C15	0.7°	0.1°
C12	C13	C14	H18	179.3°	180.0°
C13	C12	C11	H15	179.6°	180.0°
C13	C14	C15	H18	180.0°	179.9°
C13	C14	C15	C9	169.3°	180.0°
C13	C14	C15	C10	0.4°	0.1°
C14	C13	C12	H16	179.6°	179.9°
C14	C15	C9	C10	170.7°	179.9°
C15	C14	C13	H17	179.2°	180.0°
C15	C9	C1	H	153.8°	0.1°
C9	C15	C14	H18	10.6°	0.1°
C10	C15	C14	H18	179.6°	180.0°
C15	C10	C11	H15	179.3°	180.0°
H7	C4	C5	H9	55.0°	178.6°
H7	C4	C5	H10	64.6°	61.5°
H7	C4	C3	H5	51.8°	54.5°
H7	C4	C3	H6	67.5°	174.8°
H8	C4	C5	H9	174.5°	61.3°
H8	C4	C5	H10	54.9°	58.6°
H8	C4	C3	H5	171.3°	65.6°
H8	C4	C3	H6	52.0°	54.7°
H9	C5	C6	H1	177.8°	178.6°
H10	C5	C6	H1	62.6°	61.4°
H1	C6	C8	H13	172.7°	174.9°
H1	C6	C8	H14	67.7°	54.6°
H17	C13	C14	H18	0.7°	0.1°
H17	C13	C12	H16	0.4°	0.0°
H	C1	C	H2	56.2°	177.7°
H	C1	C	H4	176.2°	57.7°
H	C1	C	H3	63.8°	62.3°
H2	C	H4	H3	120.0°	120.0°
H16	C12	C11	H15	0.4°	0.0°

Release date:	2025-04-02
Definition date:	2025-03-21
Last modified:	2025-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	7I3K