8G3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C17	doub	1.36Å	1.34Å	Aromatic
C18	C19	sing	1.40Å	1.49Å	Aromatic
C17	N13	sing	1.36Å	1.36Å	Aromatic
C19	N16	doub	1.31Å	1.30Å	Aromatic
N13	N14	sing	1.40Å	1.35Å	Aromatic
N13	C12	sing	1.37Å	1.38Å	Aromatic
N14	C15	doub	1.31Å	1.34Å	Aromatic
N16	C12	sing	1.34Å	1.36Å	Aromatic
C12	N11	doub	1.33Å	1.32Å	Aromatic
C15	N11	sing	1.33Å	1.37Å	Aromatic
C15	C20	sing	1.51Å	1.46Å
C20	C21	sing	1.53Å	1.51Å
C21	C2	sing	1.51Å	1.49Å
C3	C2	sing	1.40Å	1.47Å	Aromatic
C3	C4	doub	1.37Å	1.33Å	Aromatic
C2	N1	doub	1.31Å	1.29Å	Aromatic
O22	C4	sing	1.35Å	1.38Å
C4	N6	sing	1.37Å	1.36Å	Aromatic
N1	C5	sing	1.34Å	1.34Å	Aromatic
N6	C5	sing	1.37Å	1.36Å	Aromatic
N6	N7	sing	1.40Å	1.34Å	Aromatic
C5	C9	doub	1.39Å	1.37Å	Aromatic
N7	C8	doub	1.31Å	1.33Å	Aromatic
C9	C8	sing	1.39Å	1.41Å	Aromatic
C8	C10	sing	1.51Å	1.46Å
C9	H1	sing	1.08Å	1.08Å
C18	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C19	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C21	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.09Å	1.10Å
O22	H4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C18	C19	114.8°	119.3°
C18	C17	N13	119.1°	119.0°
C17	C18	H2	122.6°	120.4°
C18	C17	H5	120.4°	120.5°
C18	C19	N16	126.9°	120.3°
C19	C18	H2	122.6°	120.4°
C18	C19	H6	116.5°	119.9°
C17	N13	N14	126.8°	133.4°
C17	N13	C12	122.7°	120.3°
N13	C17	H5	120.5°	120.5°
C19	N16	C12	114.5°	120.8°
N16	C19	H6	116.5°	119.8°
N14	N13	C12	110.5°	106.4°
N13	N14	C15	101.5°	107.0°
N13	C12	N16	121.9°	120.3°
N13	C12	N11	109.6°	107.2°
N14	C15	N11	115.8°	109.6°
N14	C15	C20	123.0°	125.2°
N16	C12	N11	128.5°	132.5°
C12	N11	C15	102.6°	109.7°
N11	C15	C20	121.2°	125.2°
C15	C20	C21	107.3°	109.5°
C15	C20	H10	110.0°	109.5°
C15	C20	H11	110.0°	109.5°
C20	C21	C2	112.7°	109.5°
C21	C20	H10	110.0°	109.5°
C21	C20	H11	110.0°	109.4°
C20	C21	H12	108.6°	109.4°
C20	C21	H13	108.6°	109.5°
C21	C2	C3	114.4°	119.8°
C21	C2	N1	118.8°	119.8°
C2	C21	H12	108.7°	109.5°
C2	C21	H13	108.6°	109.5°
C2	C3	C4	113.1°	119.4°
C3	C2	N1	126.8°	120.4°
C2	C3	H3	123.5°	120.3°
C3	C4	O22	121.7°	120.5°
C3	C4	N6	120.9°	119.0°
C4	C3	H3	123.5°	120.3°
C2	N1	C5	116.2°	120.9°
O22	C4	N6	117.4°	120.5°
C4	O22	H4	109.5°	114.0°
C4	N6	C5	121.9°	119.7°
C4	N6	N7	125.9°	132.6°
N1	C5	N6	121.1°	120.6°
N1	C5	C9	131.3°	132.6°
C5	N6	N7	112.2°	107.7°
N6	C5	C9	107.6°	106.9°
N6	N7	C8	104.1°	108.8°
C5	C9	C8	103.4°	107.6°
C5	C9	H1	128.3°	126.2°
N7	C8	C9	112.8°	109.0°
N7	C8	C10	120.5°	125.5°
C9	C8	C10	126.7°	125.5°
C8	C9	H1	128.3°	126.2°
C8	C10	H7	109.5°	109.5°
C8	C10	H8	109.5°	109.4°
C8	C10	H9	109.4°	109.5°
H7	C10	H8	109.5°	109.4°
H7	C10	H9	109.5°	109.5°
H8	C10	H9	109.5°	109.5°
H10	C20	H11	109.5°	109.4°
H12	C21	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C18	C19	H2	180.0°	179.2°
C18	C17	N13	H5	180.0°	179.9°
C17	C18	C19	N16	0.0°	1.1°
C18	C17	N13	N14	180.0°	179.9°
C18	C17	N13	C12	0.4°	0.3°
C17	C18	C19	H6	180.0°	180.0°
C19	C18	C17	N13	0.2°	0.8°
C18	C19	N16	H6	180.0°	178.9°
C18	C19	N16	C12	0.1°	0.9°
C19	C18	C17	H5	179.8°	179.3°
C17	N13	N14	C12	179.7°	179.8°
C17	N13	N14	C15	179.8°	180.0°
C17	N13	C12	N16	0.2°	0.1°
C17	N13	C12	N11	179.7°	179.8°
N13	C17	C18	H2	179.8°	180.0°
C19	N16	C12	N13	0.0°	0.4°
C19	N16	C12	N11	180.0°	180.0°
N16	C19	C18	H2	180.0°	179.7°
N14	N13	C12	N16	179.9°	179.9°
N14	N13	C12	N11	0.0°	0.4°
N13	N14	C15	N11	0.1°	0.1°
N13	N14	C15	C20	179.4°	179.7°
N14	N13	C17	H5	0.0°	0.0°
C12	N13	N14	C15	0.1°	0.2°
N13	C12	N16	N11	180.0°	179.6°
N13	C12	N11	C15	0.1°	0.4°
C12	N13	C17	H5	179.6°	179.8°
N14	C15	N11	C12	0.1°	0.3°
N14	C15	N11	C20	179.3°	179.7°
N14	C15	C20	C21	93.9°	90.3°
N14	C15	C20	H10	146.4°	29.7°
N14	C15	C20	H11	25.7°	149.7°
N16	C12	N11	C15	180.0°	179.9°
C12	N16	C19	H6	179.9°	179.9°
C12	N11	C15	C20	179.4°	180.0°
N11	C15	C20	C21	85.4°	90.1°
N11	C15	C20	H10	34.3°	149.9°
N11	C15	C20	H11	155.0°	29.9°
C15	C20	C21	H10	119.7°	120.0°
C15	C20	C21	H11	119.6°	120.1°
C15	C20	C21	C2	160.4°	NaN°
C15	C20	H10	H11	121.0°	120.0°
C15	C20	C21	H12	79.1°	60.0°
C15	C20	C21	H13	39.9°	60.0°
C20	C21	C2	H12	120.5°	120.0°
C20	C21	C2	H13	120.5°	120.0°
C20	C21	C2	C3	133.0°	180.0°
C20	C21	C2	N1	47.4°	0.0°
C21	C20	H10	H11	121.0°	119.9°
C20	C21	H12	H13	118.5°	120.0°
C21	C2	C3	N1	179.6°	180.0°
C21	C2	C3	C4	179.4°	180.0°
C21	C2	N1	C5	179.8°	180.0°
C21	C2	C3	H3	0.7°	0.0°
C2	C21	C20	H10	40.7°	60.0°
C2	C21	C20	H11	80.0°	59.9°
C2	C21	H12	H13	118.5°	120.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	O22	179.9°	179.9°
C2	C3	C4	N6	0.3°	0.0°
C3	C2	N1	C5	0.2°	0.0°
C3	C2	C21	H12	12.5°	60.0°
C3	C2	C21	H13	106.6°	60.0°
C4	C3	C2	N1	0.2°	0.0°
C3	C4	O22	N6	179.6°	179.9°
C3	C4	N6	C5	0.0°	0.0°
C3	C4	N6	N7	179.3°	179.7°
C3	C4	O22	H4	180.0°	0.0°
C2	N1	C5	N6	0.6°	0.0°
C2	N1	C5	C9	179.6°	180.0°
N1	C2	C3	H3	179.8°	180.0°
N1	C2	C21	H12	167.9°	120.0°
N1	C2	C21	H13	73.0°	120.0°
O22	C4	N6	C5	179.7°	179.9°
O22	C4	N6	N7	0.3°	0.4°
O22	C4	C3	H3	0.0°	0.1°
C4	N6	C5	N1	0.4°	0.0°
C4	N6	C5	N7	179.4°	179.8°
C4	N6	C5	C9	179.7°	180.0°
C4	N6	N7	C8	179.8°	179.9°
N6	C4	C3	H3	179.6°	180.0°
N6	C4	O22	H4	0.4°	179.9°
N1	C5	N6	C9	179.9°	180.0°
N1	C5	N6	N7	179.9°	179.8°
N1	C5	C9	C8	179.9°	180.0°
N1	C5	C9	H1	0.1°	0.2°
C5	N6	N7	C8	0.4°	0.4°
N6	C5	C9	C8	0.0°	0.0°
N6	C5	C9	H1	180.0°	179.8°
N7	N6	C5	C9	0.3°	0.2°
N6	N7	C8	C9	0.4°	0.4°
N6	N7	C8	C10	179.6°	179.6°
C5	C9	C8	N7	0.2°	0.3°
C5	C9	C8	H1	180.0°	179.8°
C5	C9	C8	C10	179.8°	179.7°
N7	C8	C9	C10	180.0°	180.0°
N7	C8	C9	H1	179.8°	180.0°
N7	C8	C10	H7	0.0°	90.0°
N7	C8	C10	H8	120.0°	30.0°
N7	C8	C10	H9	120.0°	150.0°
C9	C8	C10	H7	180.0°	90.0°
C9	C8	C10	H8	60.0°	150.0°
C9	C8	C10	H9	60.0°	30.0°
C10	C8	C9	H1	0.2°	0.1°
C8	C10	H7	H8	120.0°	120.0°
C8	C10	H7	H9	120.0°	120.0°
C8	C10	H8	H9	120.0°	120.0°
H2	C18	C17	H5	0.2°	0.1°
H2	C18	C19	H6	0.0°	0.8°
H7	C10	H8	H9	120.0°	120.0°
H10	C20	C21	H12	161.2°	60.1°
H10	C20	C21	H13	79.7°	NaN°
H11	C20	C21	H12	40.5°	180.0°
H11	C20	C21	H13	159.6°	60.1°

Release date:	2018-03-14
Definition date:	2017-07-03
Last modified:	2018-03-09
Release status:	REL
Processing site:	PDBJ
Derived from:	5XUI