3IQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.39Å	1.39Å	Aromatic
C4	N	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
N	C	doub	1.33Å	1.34Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C	C1	sing	1.41Å	1.40Å	Aromatic
C	N1	sing	1.38Å	1.37Å	Aromatic
C1	C5	sing	1.47Å	1.45Å	Aromatic
C8	C9	sing	1.50Å	1.50Å
C8	C7	doub	1.32Å	1.33Å
N1	C6	sing	1.37Å	1.37Å	Aromatic
C12	C9	sing	1.53Å	1.53Å
C5	C6	doub	1.36Å	1.37Å	Aromatic
C5	C7	sing	1.48Å	1.47Å
C9	C10	sing	1.53Å	1.53Å
C7	C11	sing	1.50Å	1.50Å
C10	N2	sing	1.47Å	1.49Å
C11	N2	sing	1.47Å	1.49Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.09Å	1.10Å
N1	H14	sing	0.97Å	1.00Å
N2	H15	sing	1.01Å	1.00Å
N2	H16	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	N	124.2°	121.6°
C4	C3	C2	119.3°	119.4°
C4	C3	H9	120.4°	120.4°
C3	C4	H10	117.9°	119.2°
C4	N	C	114.9°	121.6°
N	C4	H10	117.9°	119.2°
C3	C2	C1	118.6°	118.0°
C3	C2	H8	120.7°	121.0°
C2	C3	H9	120.4°	120.3°
N	C	C1	126.2°	119.8°
N	C	N1	125.2°	132.9°
C2	C1	C	116.9°	119.6°
C2	C1	C5	136.9°	134.2°
C1	C2	H8	120.7°	121.0°
C1	C	N1	108.6°	107.3°
C	C1	C5	106.3°	106.2°
C	N1	C6	108.7°	110.3°
C	N1	H14	125.7°	124.8°
C1	C5	C6	106.1°	106.5°
C1	C5	C7	128.4°	126.8°
C9	C8	C7	125.8°	122.3°
C8	C9	C12	111.2°	109.4°
C8	C9	C10	110.3°	109.6°
C9	C8	H12	117.1°	118.8°
C8	C9	H13	108.2°	109.5°
C8	C7	C5	123.2°	118.5°
C8	C7	C11	120.4°	122.9°
C7	C8	H12	117.1°	118.8°
N1	C6	C5	110.3°	109.7°
N1	C6	H11	124.8°	125.1°
C6	N1	H14	125.7°	124.9°
C12	C9	C10	111.1°	109.5°
C9	C12	H5	109.5°	109.5°
C9	C12	H6	109.5°	109.4°
C9	C12	H7	109.5°	109.5°
C12	C9	H13	107.9°	109.4°
C6	C5	C7	125.5°	126.7°
C5	C6	H11	124.9°	125.1°
C5	C7	C11	116.4°	118.5°
C9	C10	N2	110.7°	108.6°
C9	C10	H1	109.1°	109.6°
C9	C10	H2	109.2°	109.8°
C10	C9	H13	107.9°	109.5°
C7	C11	N2	110.7°	110.4°
C7	C11	H3	109.1°	109.3°
C7	C11	H4	109.2°	109.1°
C10	N2	C11	110.4°	109.0°
N2	C10	H1	109.2°	109.7°
N2	C10	H2	109.2°	109.6°
C10	N2	H15	109.3°	109.5°
C10	N2	H16	109.2°	109.5°
N2	C11	H3	109.2°	109.3°
N2	C11	H4	109.1°	109.3°
C11	N2	H15	109.2°	109.6°
C11	N2	H16	109.2°	109.6°
H1	C10	H2	109.5°	109.6°
H3	C11	H4	109.5°	109.3°
H5	C12	H6	109.5°	109.4°
H5	C12	H7	109.4°	109.5°
H6	C12	H7	109.4°	109.5°
H15	N2	H16	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	N	H10	180.0°	179.9°
C4	C3	C2	H9	180.0°	179.9°
C3	C4	N	C	0.1°	0.1°
C4	C3	C2	C1	0.0°	0.0°
C4	C3	C2	H8	179.9°	179.9°
N	C4	C3	C2	0.0°	0.1°
C4	N	C	C1	0.1°	0.0°
C4	N	C	N1	179.9°	179.9°
N	C4	C3	H9	180.0°	180.0°
C3	C2	C1	H8	180.0°	180.0°
C3	C2	C1	C	0.1°	0.0°
C3	C2	C1	C5	179.9°	180.0°
C2	C3	C4	H10	180.0°	180.0°
N	C	C1	C2	0.1°	0.0°
N	C	C1	N1	179.9°	180.0°
N	C	C1	C5	179.9°	180.0°
N	C	N1	C6	179.9°	180.0°
C	N	C4	H10	179.9°	180.0°
N	C	N1	H14	0.1°	0.0°
C2	C1	C	C5	180.0°	180.0°
C2	C1	C	N1	179.9°	180.0°
C2	C1	C5	C6	179.9°	180.0°
C2	C1	C5	C7	0.3°	0.1°
C1	C2	C3	H9	180.0°	180.0°
C1	C	N1	C6	0.0°	0.1°
C	C1	C5	C6	0.1°	0.0°
C	C1	C5	C7	179.7°	180.0°
C	C1	C2	H8	179.9°	180.0°
C1	C	N1	H14	180.0°	180.0°
N1	C	C1	C5	0.0°	0.0°
C	N1	C6	H14	180.0°	179.9°
C	N1	C6	C5	0.0°	0.1°
C	N1	C6	H11	179.9°	180.0°
C1	C5	C7	C8	33.9°	74.9°
C1	C5	C6	N1	0.1°	0.1°
C1	C5	C6	C7	179.8°	179.9°
C1	C5	C7	C11	146.7°	105.0°
C5	C1	C2	H8	0.1°	0.0°
C1	C5	C6	H11	179.9°	180.0°
C9	C8	C7	H12	180.0°	179.9°
C8	C9	C12	C10	123.4°	120.1°
C8	C9	C12	H13	118.6°	119.9°
C9	C8	C7	C5	179.2°	179.7°
C8	C9	C10	H13	118.1°	120.1°
C9	C8	C7	C11	0.3°	0.3°
C8	C9	C10	N2	41.1°	49.8°
C8	C9	C10	H1	161.3°	169.6°
C8	C9	C10	H2	79.1°	70.0°
C8	C9	C12	H5	180.0°	60.0°
C8	C9	C12	H6	60.0°	179.9°
C8	C9	C12	H7	60.0°	60.0°
C7	C8	C9	C12	133.7°	136.1°
C8	C7	C5	C6	145.9°	105.0°
C8	C7	C5	C11	179.5°	179.9°
C7	C8	C9	C10	9.9°	16.1°
C8	C7	C11	N2	21.8°	18.3°
C8	C7	C11	H3	98.4°	102.1°
C8	C7	C11	H4	142.0°	138.4°
C7	C8	C9	H13	107.9°	104.0°
N1	C6	C5	H11	180.0°	179.9°
N1	C6	C5	C7	179.7°	180.0°
C12	C9	C10	H13	118.1°	120.0°
C12	C9	C10	N2	164.9°	169.8°
C12	C9	C10	H1	74.9°	70.4°
C12	C9	C10	H2	44.7°	50.0°
C9	C12	H5	H6	120.0°	120.0°
C9	C12	H5	H7	120.0°	120.0°
C9	C12	H6	H7	120.0°	120.0°
C12	C9	C8	H12	46.3°	43.9°
C6	C5	C7	C11	33.6°	75.1°
C5	C6	N1	H14	180.0°	180.0°
C5	C7	C11	N2	157.7°	161.8°
C5	C7	C11	H3	82.1°	77.8°
C5	C7	C11	H4	37.5°	41.6°
C7	C5	C6	H11	0.3°	0.1°
C5	C7	C8	H12	0.8°	0.2°
C9	C10	N2	H1	120.2°	119.8°
C9	C10	N2	H2	120.2°	119.9°
C9	C10	N2	C11	65.0°	70.6°
C9	C10	H1	H2	119.4°	120.5°
C10	C9	C12	H5	56.6°	60.1°
C10	C9	C12	H6	176.7°	59.9°
C10	C9	C12	H7	63.4°	179.9°
C10	C9	C8	H12	170.1°	163.9°
C9	C10	N2	H15	55.1°	49.4°
C9	C10	N2	H16	174.8°	169.6°
C7	C11	N2	C10	53.5°	52.6°
C7	C11	N2	H3	120.2°	120.3°
C7	C11	N2	H4	120.2°	120.1°
C7	C11	H3	H4	119.4°	119.4°
C11	C7	C8	H12	179.7°	179.7°
C7	C11	N2	H15	66.6°	67.2°
C7	C11	N2	H16	173.7°	172.5°
C10	N2	C11	H15	120.2°	119.9°
C10	N2	C11	H16	120.1°	119.8°
N2	C10	H1	H2	119.4°	120.4°
C10	N2	C11	H3	66.6°	67.7°
C10	N2	C11	H4	173.7°	172.7°
N2	C10	C9	H13	77.0°	70.2°
C10	N2	H15	H16	119.6°	120.2°
C11	N2	C10	H1	174.8°	169.7°
C11	N2	C10	H2	55.2°	49.3°
N2	C11	H3	H4	119.4°	119.6°
C11	N2	H15	H16	119.6°	120.3°
H1	C10	C9	H13	43.2°	49.6°
H1	C10	N2	H15	65.1°	70.4°
H1	C10	N2	H16	54.7°	49.8°
H2	C10	C9	H13	162.8°	170.0°
H2	C10	N2	H15	175.3°	169.2°
H2	C10	N2	H16	65.0°	70.5°
H3	C11	N2	H15	173.2°	172.4°
H3	C11	N2	H16	53.5°	52.1°
H4	C11	N2	H15	53.5°	52.8°
H4	C11	N2	H16	66.2°	67.5°
H5	C12	H6	H7	120.0°	120.0°
H5	C12	C9	H13	61.4°	179.9°
H6	C12	C9	H13	58.6°	60.1°
H7	C12	C9	H13	178.6°	59.9°
H8	C2	C3	H9	0.1°	0.0°
H9	C3	C4	H10	0.0°	0.0°
H11	C6	N1	H14	0.0°	0.0°
H12	C8	C9	H13	72.1°	76.0°

Release date:	2022-07-06
Definition date:	2021-07-06
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	7RAN