RQT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	N1	doub	1.32Å	1.34Å	Aromatic
C8	C7	sing	1.39Å	1.39Å	Aromatic
N1	C9	sing	1.33Å	1.33Å	Aromatic
C7	C6	doub	1.38Å	1.39Å	Aromatic
C9	N2	sing	1.38Å	1.37Å	Aromatic
C9	C5	doub	1.41Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.39Å	Aromatic
N2	C10	sing	1.37Å	1.37Å	Aromatic
C5	C4	sing	1.47Å	1.44Å	Aromatic
C10	C4	doub	1.36Å	1.37Å	Aromatic
C4	C3	sing	1.48Å	1.49Å
C3	C11	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C1	C13	sing	1.39Å	1.39Å	Aromatic
C1	N	sing	1.40Å	1.42Å
N	C	sing	1.35Å	1.35Å
C	O	doub	1.21Å	1.22Å
C	C14	sing	1.51Å	1.51Å
C14	C15	sing	1.53Å	1.54Å
C7	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
N2	H3	sing	0.97Å	1.00Å
C10	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
N	H11	sing	0.97Å	1.00Å
C13	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C8	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C8	C7	124.1°	121.5°
C8	N1	C9	114.9°	121.6°
N1	C8	H15	118.0°	119.2°
C8	C7	C6	119.2°	119.4°
C8	C7	H1	120.4°	120.3°
C7	C8	H15	117.9°	119.2°
N1	C9	N2	125.2°	132.9°
N1	C9	C5	126.3°	119.9°
C7	C6	C5	118.5°	118.0°
C6	C7	H1	120.4°	120.4°
C7	C6	H5	120.7°	121.0°
N2	C9	C5	108.3°	107.2°
C9	N2	C10	108.6°	110.3°
C9	N2	H3	125.7°	124.9°
C9	C5	C6	117.0°	119.5°
C9	C5	C4	106.8°	106.2°
C6	C5	C4	135.6°	134.2°
C5	C6	H5	120.7°	121.0°
N2	C10	C4	110.4°	109.7°
C10	N2	H3	125.7°	124.8°
N2	C10	H4	124.8°	125.1°
C5	C4	C10	105.9°	106.6°
C5	C4	C3	128.8°	126.7°
C10	C4	C3	125.1°	126.7°
C4	C10	H4	124.8°	125.2°
C4	C3	C11	120.7°	120.1°
C4	C3	C2	120.1°	120.1°
C11	C3	C2	119.1°	119.8°
C3	C11	C12	120.4°	120.0°
C3	C11	H14	119.8°	120.0°
C3	C2	C1	120.6°	119.8°
C3	C2	H2	119.7°	120.1°
C11	C12	C13	120.4°	120.2°
C11	C12	H13	119.8°	119.9°
C12	C11	H14	119.8°	120.0°
C2	C1	C13	119.6°	120.0°
C2	C1	N	120.6°	120.0°
C1	C2	H2	119.7°	120.1°
C12	C13	C1	119.9°	120.2°
C12	C13	H12	120.0°	119.8°
C13	C12	H13	119.8°	119.9°
C13	C1	N	119.7°	120.0°
C1	C13	H12	120.1°	120.0°
C1	N	C	127.6°	120.0°
C1	N	H11	116.2°	120.0°
N	C	O	123.9°	120.0°
N	C	C14	113.6°	120.0°
C	N	H11	116.2°	120.0°
O	C	C14	122.5°	120.0°
C	C14	C15	113.0°	109.5°
C	C14	H6	108.6°	109.4°
C	C14	H7	108.6°	109.5°
C15	C14	H6	108.6°	109.5°
C15	C14	H7	108.6°	109.5°
C14	C15	H8	109.5°	109.4°
C14	C15	H9	109.4°	109.5°
C14	C15	H10	109.4°	109.5°
H6	C14	H7	109.4°	109.5°
H8	C15	H9	109.5°	109.5°
H8	C15	H10	109.5°	109.5°
H9	C15	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C8	C7	H15	180.0°	179.4°
N1	C8	C7	C6	0.6°	0.0°
C8	N1	C9	N2	173.4°	179.8°
C8	N1	C9	C5	0.6°	0.9°
N1	C8	C7	H1	179.4°	179.7°
C7	C8	N1	C9	0.7°	0.6°
C8	C7	C6	H1	180.0°	179.7°
C8	C7	C6	C5	0.3°	0.3°
C8	C7	C6	H5	179.7°	179.8°
N1	C9	N2	C5	174.9°	179.4°
N1	C9	C5	C6	0.4°	0.6°
N1	C9	N2	C10	173.8°	179.3°
N1	C9	C5	C4	173.0°	179.4°
N1	C9	N2	H3	6.2°	0.6°
C9	N1	C8	H15	179.3°	180.0°
C7	C6	C5	C9	0.2°	0.0°
C7	C6	C5	H5	180.0°	179.9°
C7	C6	C5	C4	170.1°	180.0°
C6	C7	C8	H15	179.5°	179.4°
N2	C9	C5	C6	174.5°	180.0°
C9	N2	C10	H3	180.0°	180.0°
N2	C9	C5	C4	1.8°	0.0°
C9	N2	C10	C4	0.0°	0.0°
C9	N2	C10	H4	180.0°	180.0°
C9	C5	C6	C4	169.9°	180.0°
C5	C9	N2	C10	1.2°	0.0°
C9	C5	C4	C10	1.8°	0.0°
C9	C5	C4	C3	174.2°	180.0°
C5	C9	N2	H3	178.9°	180.0°
C9	C5	C6	H5	179.8°	179.9°
C6	C5	C4	C10	172.4°	180.0°
C6	C5	C4	C3	3.7°	0.0°
C5	C6	C7	H1	179.7°	180.0°
N2	C10	C4	C5	1.2°	0.0°
N2	C10	C4	H4	180.0°	180.0°
N2	C10	C4	C3	175.1°	180.0°
C5	C4	C10	C3	176.3°	180.0°
C5	C4	C3	C11	35.6°	50.0°
C5	C4	C3	C2	146.2°	129.5°
C5	C4	C10	H4	178.9°	180.0°
C4	C5	C6	H5	9.9°	0.0°
C10	C4	C3	C11	149.1°	130.0°
C10	C4	C3	C2	29.2°	50.5°
C4	C10	N2	H3	179.9°	180.0°
C4	C3	C11	C2	178.3°	179.4°
C4	C3	C11	C12	177.8°	180.0°
C4	C3	C2	C1	178.3°	180.0°
C4	C3	C2	H2	1.7°	0.3°
C3	C4	C10	H4	4.9°	0.0°
C4	C3	C11	H14	2.2°	0.3°
C3	C11	C12	H14	180.0°	179.7°
C11	C3	C2	C1	0.0°	0.5°
C3	C11	C12	C13	0.8°	0.3°
C11	C3	C2	H2	180.0°	179.7°
C3	C11	C12	H13	179.2°	179.8°
C2	C3	C11	C12	0.5°	0.5°
C3	C2	C1	H2	180.0°	179.8°
C3	C2	C1	C13	0.2°	0.2°
C3	C2	C1	N	177.9°	179.7°
C2	C3	C11	H14	179.5°	179.8°
C11	C12	C13	H13	180.0°	180.0°
C11	C12	C13	C1	0.7°	0.0°
C11	C12	C13	H12	179.3°	180.0°
C2	C1	C13	C12	0.1°	0.1°
C2	C1	C13	N	178.1°	179.9°
C2	C1	N	C	175.0°	33.4°
C2	C1	N	H11	4.9°	146.7°
C2	C1	C13	H12	179.8°	180.0°
C12	C13	C1	H12	180.0°	179.9°
C12	C13	C1	N	178.2°	180.0°
C13	C12	C11	H14	179.2°	180.0°
C13	C1	N	C	3.0°	146.7°
C13	C1	C2	H2	179.8°	180.0°
C13	C1	N	H11	177.0°	33.3°
C1	C13	C12	H13	179.3°	179.9°
C1	N	C	H11	180.0°	180.0°
C1	N	C	O	18.9°	5.3°
C1	N	C	C14	162.5°	174.8°
N	C1	C2	H2	2.2°	0.1°
N	C1	C13	H12	1.8°	0.1°
N	C	O	C14	178.5°	179.9°
N	C	C14	C15	65.1°	180.0°
N	C	C14	H6	174.4°	60.0°
N	C	C14	H7	55.5°	59.9°
O	C	C14	C15	113.6°	0.0°
O	C	C14	H6	7.0°	120.1°
O	C	C14	H7	125.9°	120.0°
O	C	N	H11	161.1°	174.7°
C	C14	C15	H6	120.5°	119.9°
C	C14	C15	H7	120.6°	120.0°
C	C14	H6	H7	118.4°	120.0°
C	C14	C15	H8	180.0°	60.0°
C	C14	C15	H9	60.0°	180.0°
C	C14	C15	H10	60.0°	60.0°
C14	C	N	H11	17.5°	5.3°
C15	C14	H6	H7	118.4°	120.0°
C14	C15	H8	H9	120.0°	120.0°
C14	C15	H8	H10	120.0°	119.9°
C14	C15	H9	H10	119.9°	120.0°
H1	C7	C6	H5	0.3°	0.1°
H1	C7	C8	H15	0.5°	0.4°
H3	N2	C10	H4	0.0°	0.1°
H6	C14	C15	H8	59.4°	60.0°
H6	C14	C15	H9	179.5°	60.0°
H6	C14	C15	H10	60.6°	179.9°
H7	C14	C15	H8	59.5°	180.0°
H7	C14	C15	H9	60.6°	60.0°
H7	C14	C15	H10	179.5°	60.0°
H8	C15	H9	H10	120.0°	120.0°
H12	C13	C12	H13	0.7°	0.0°
H13	C12	C11	H14	0.8°	0.1°

Release date:	2020-12-02
Definition date:	2020-10-20
Last modified:	2020-11-27
Release status:	REL
Processing site:	PDBE
Derived from:	7APG