Q3Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	PT1	sing	0.00Å	1.95Å
O20	C18	doub	0.00Å	1.24Å
C24	C25	doub	0.00Å	1.41Å	Aromatic
C24	C23	sing	0.00Å	1.39Å	Aromatic
C25	N26	sing	0.00Å	1.38Å	Aromatic
C29	C23	sing	0.00Å	1.53Å
C29	N17	sing	0.00Å	1.52Å
C23	C28	doub	0.00Å	1.39Å	Aromatic
C18	N17	sing	0.00Å	1.43Å
C18	C9	sing	0.00Å	1.50Å
N26	PT1	sing	0.00Å	1.96Å
N26	C27	doub	0.00Å	1.38Å	Aromatic
C10	C9	doub	0.00Å	1.41Å	Aromatic
C10	C11	sing	0.00Å	1.41Å	Aromatic
PT1	N2	sing	0.00Å	1.95Å
N17	C16	sing	0.00Å	1.43Å
C9	C5	sing	0.00Å	1.43Å	Aromatic
C28	C27	sing	0.00Å	1.41Å	Aromatic
C11	C12	doub	0.00Å	1.40Å	Aromatic
C16	O19	doub	0.00Å	1.24Å
C16	C4	sing	0.00Å	1.50Å
C5	C4	doub	0.00Å	1.43Å	Aromatic
C5	C6	sing	0.00Å	1.43Å	Aromatic
C12	C6	sing	0.00Å	1.42Å	Aromatic
C12	C13	sing	0.00Å	1.50Å
O22	C13	doub	0.00Å	1.23Å
C4	C3	sing	0.00Å	1.41Å	Aromatic
C6	C7	doub	0.00Å	1.42Å	Aromatic
C13	N14	sing	0.00Å	1.41Å
C3	C8	doub	0.00Å	1.42Å	Aromatic
C7	C8	sing	0.00Å	1.40Å	Aromatic
C7	C15	sing	0.00Å	1.51Å
N14	C15	sing	0.00Å	1.41Å
C15	O21	doub	0.00Å	1.23Å
N2	H46	sing	0.00Å	1.00Å
N2	H32	sing	0.00Å	1.00Å
N1	H45	sing	0.00Å	1.00Å
N1	H30	sing	0.00Å	1.00Å
C25	H40	sing	0.00Å	1.08Å
C24	H39	sing	0.00Å	1.08Å
C28	H42	sing	0.00Å	1.08Å
C27	H41	sing	0.00Å	1.08Å
C29	H43	sing	0.00Å	1.10Å
C29	H44	sing	0.00Å	1.10Å
C3	H34	sing	0.00Å	1.08Å
C8	H35	sing	0.00Å	1.08Å
C10	H36	sing	0.00Å	1.08Å
C11	H37	sing	0.00Å	1.08Å
N14	H38	sing	0.00Å	1.00Å
N1	H31	sing	0.00Å	1.00Å
N2	H33	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	PT1	N26	90.6°	90.0°
N1	PT1	N2	179.6°	90.0°
PT1	N1	H45	109.5°	90.0°
PT1	N1	H30	109.5°	90.0°
PT1	N1	H31	109.5°	90.0°
O20	C18	N17	123.7°	90.0°
O20	C18	C9	120.0°	90.0°
C25	C24	C23	119.9°	90.0°
C24	C25	N26	120.8°	90.0°
C24	C25	H40	119.6°	90.0°
C25	C24	H39	120.1°	90.0°
C24	C23	C29	120.5°	90.0°
C24	C23	C28	119.1°	90.0°
C23	C24	H39	120.0°	90.0°
C25	N26	PT1	120.5°	90.0°
C25	N26	C27	119.4°	90.0°
N26	C25	H40	119.6°	90.0°
C23	C29	N17	111.0°	90.0°
C29	C23	C28	120.4°	90.0°
C23	C29	H43	109.1°	90.0°
C23	C29	H44	109.1°	90.0°
C29	N17	C18	117.7°	90.0°
C29	N17	C16	117.0°	90.0°
N17	C29	H43	109.1°	90.0°
N17	C29	H44	109.1°	90.0°
C23	C28	C27	120.0°	90.0°
C23	C28	H42	120.0°	90.0°
N17	C18	C9	116.2°	90.0°
C18	N17	C16	125.1°	90.0°
C18	C9	C10	119.6°	90.0°
C18	C9	C5	121.0°	90.0°
PT1	N26	C27	120.1°	90.0°
N26	PT1	N2	89.7°	90.0°
N26	C27	C28	120.8°	90.0°
N26	C27	H41	119.6°	90.0°
C9	C10	C11	120.6°	90.0°
C10	C9	C5	119.4°	90.0°
C9	C10	H36	119.7°	90.0°
C10	C11	C12	120.7°	90.0°
C11	C10	H36	119.7°	90.0°
C10	C11	H37	119.6°	90.0°
PT1	N2	H46	109.5°	90.0°
PT1	N2	H32	109.5°	90.0°
PT1	N2	H33	109.4°	90.0°
N17	C16	O19	123.5°	90.0°
N17	C16	C4	116.3°	90.0°
C9	C5	C4	120.5°	90.0°
C9	C5	C6	119.7°	90.0°
C27	C28	H42	120.0°	90.0°
C28	C27	H41	119.6°	90.0°
C11	C12	C6	119.8°	90.0°
C11	C12	C13	119.3°	90.0°
C12	C11	H37	119.7°	90.0°
O19	C16	C4	120.2°	90.0°
C16	C4	C5	120.9°	90.0°
C16	C4	C3	119.7°	90.0°
C4	C5	C6	119.7°	90.0°
C5	C4	C3	119.5°	90.0°
C5	C6	C12	119.7°	90.0°
C5	C6	C7	119.8°	90.0°
C6	C12	C13	120.9°	90.0°
C12	C6	C7	120.5°	90.0°
C12	C13	O22	123.7°	90.0°
C12	C13	N14	115.3°	90.0°
O22	C13	N14	121.1°	90.0°
C4	C3	C8	120.6°	90.0°
C4	C3	H34	119.7°	90.0°
C6	C7	C8	119.7°	90.0°
C6	C7	C15	120.8°	90.0°
C13	N14	C15	127.4°	90.0°
C13	N14	H38	116.3°	90.0°
C3	C8	C7	120.6°	90.0°
C8	C3	H34	119.7°	90.0°
C3	C8	H35	119.7°	90.0°
C8	C7	C15	119.5°	90.0°
C7	C8	H35	119.7°	90.0°
C7	C15	N14	115.2°	90.0°
C7	C15	O21	123.8°	90.0°
N14	C15	O21	121.0°	90.0°
C15	N14	H38	116.3°	90.0°
H46	N2	H32	109.5°	90.0°
H46	N2	H33	109.5°	90.0°
H32	N2	H33	109.4°	90.0°
H45	N1	H30	109.4°	90.0°
H45	N1	H31	109.5°	90.0°
H30	N1	H31	109.4°	90.0°
H43	C29	H44	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	PT1	N26	C25	66.0°	90.0°
N1	PT1	N26	N2	180.0°	90.0°
N1	PT1	N26	C27	116.2°	90.0°
N1	PT1	N2	H46	180.0°	90.0°
N1	PT1	N2	H32	60.0°	90.0°
PT1	N1	H45	H30	120.0°	90.0°
PT1	N1	H45	H31	120.0°	90.0°
PT1	N1	H30	H31	120.0°	90.0°
N1	PT1	N2	H33	60.0°	90.0°
O20	C18	N17	C29	6.6°	90.0°
O20	C18	N17	C9	178.4°	90.0°
O20	C18	C9	C10	3.0°	90.0°
O20	C18	N17	C16	178.0°	90.0°
O20	C18	C9	C5	178.3°	90.0°
C25	C24	C23	H39	180.0°	90.0°
C24	C25	N26	H40	180.0°	90.0°
C25	C24	C23	C29	178.0°	90.0°
C25	C24	C23	C28	0.3°	90.0°
C24	C25	N26	PT1	177.7°	90.0°
C24	C25	N26	C27	0.1°	90.0°
C23	C24	C25	N26	0.2°	90.0°
C24	C23	C29	C28	178.3°	90.0°
C24	C23	C29	N17	76.4°	90.0°
C24	C23	C28	C27	0.3°	90.0°
C23	C24	C25	H40	179.8°	90.0°
C24	C23	C28	H42	179.7°	90.0°
C24	C23	C29	H43	43.9°	90.0°
C24	C23	C29	H44	163.4°	90.0°
C25	N26	PT1	C27	177.7°	90.0°
C25	N26	PT1	N2	113.9°	90.0°
C25	N26	C27	C28	0.1°	90.0°
N26	C25	C24	H39	179.8°	90.0°
C25	N26	C27	H41	179.9°	90.0°
C23	C29	N17	H43	120.2°	90.0°
C23	C29	N17	H44	120.3°	90.0°
C23	C29	N17	C18	96.0°	90.0°
C23	C29	N17	C16	79.8°	90.0°
C29	C23	C28	C27	178.0°	90.0°
C29	C23	C24	H39	2.0°	90.0°
C29	C23	C28	H42	2.0°	90.0°
C23	C29	H43	H44	119.3°	90.0°
N17	C29	C23	C28	101.9°	90.0°
C29	N17	C18	C16	175.4°	90.0°
C29	N17	C18	C9	174.9°	90.0°
C29	N17	C16	O19	5.3°	90.0°
C29	N17	C16	C4	175.1°	90.0°
N17	C29	H43	H44	119.3°	90.0°
C23	C28	C27	N26	0.1°	90.0°
C23	C28	C27	H42	180.0°	90.0°
C28	C23	C24	H39	179.7°	90.0°
C23	C28	C27	H41	179.9°	90.0°
C28	C23	C29	H43	137.8°	90.0°
C28	C23	C29	H44	18.3°	90.0°
N17	C18	C9	C10	178.5°	90.0°
N17	C18	C9	C5	0.2°	90.0°
C18	N17	C16	O19	179.2°	90.0°
C18	N17	C16	C4	0.4°	90.0°
C18	N17	C29	H43	24.2°	90.0°
C18	N17	C29	H44	143.8°	90.0°
C18	C9	C10	C5	178.7°	90.0°
C18	C9	C10	C11	178.6°	90.0°
C9	C18	N17	C16	0.5°	90.0°
C18	C9	C5	C4	0.1°	90.0°
C18	C9	C5	C6	178.7°	90.0°
C18	C9	C10	H36	1.4°	90.0°
PT1	N26	C27	C28	177.7°	90.0°
N26	PT1	N2	H46	7.9°	90.0°
N26	PT1	N2	H32	127.9°	90.0°
N26	PT1	N1	H45	180.0°	90.0°
N26	PT1	N1	H30	60.0°	90.0°
PT1	N26	C25	H40	2.3°	90.0°
PT1	N26	C27	H41	2.3°	90.0°
N26	PT1	N1	H31	60.0°	90.0°
N26	PT1	N2	H33	112.1°	90.0°
C27	N26	PT1	N2	63.8°	90.0°
N26	C27	C28	H41	180.0°	90.0°
C27	N26	C25	H40	179.9°	90.0°
N26	C27	C28	H42	179.9°	90.0°
C9	C10	C11	H36	180.0°	90.0°
C9	C10	C11	C12	0.1°	90.0°
C10	C9	C5	C4	178.8°	90.0°
C10	C9	C5	C6	0.0°	90.0°
C9	C10	C11	H37	179.9°	90.0°
C11	C10	C9	C5	0.1°	90.0°
C10	C11	C12	H37	180.0°	90.0°
C10	C11	C12	C6	0.1°	90.0°
C10	C11	C12	C13	180.0°	90.0°
PT1	N2	H46	H32	120.0°	90.0°
PT1	N2	H46	H33	120.0°	90.0°
PT1	N2	H32	H33	119.9°	90.0°
N2	PT1	N1	H45	7.9°	90.0°
N2	PT1	N1	H30	127.9°	90.0°
N2	PT1	N1	H31	112.1°	90.0°
N17	C16	O19	C4	179.6°	90.0°
N17	C16	C4	C5	0.0°	90.0°
N17	C16	C4	C3	179.6°	90.0°
C16	N17	C29	H43	160.0°	90.0°
C16	N17	C29	H44	40.4°	90.0°
C9	C5	C4	C16	0.2°	90.0°
C9	C5	C4	C6	178.8°	90.0°
C9	C5	C6	C12	0.2°	90.0°
C9	C5	C4	C3	179.9°	90.0°
C9	C5	C6	C7	179.8°	90.0°
C5	C9	C10	H36	179.9°	90.0°
C11	C12	C6	C5	0.2°	90.0°
C11	C12	C6	C13	179.9°	90.0°
C11	C12	C13	O22	1.3°	90.0°
C11	C12	C6	C7	179.8°	90.0°
C11	C12	C13	N14	179.7°	90.0°
C12	C11	C10	H36	179.9°	90.0°
O19	C16	C4	C5	179.6°	90.0°
O19	C16	C4	C3	0.7°	90.0°
C16	C4	C5	C3	179.6°	90.0°
C16	C4	C5	C6	178.6°	90.0°
C16	C4	C3	C8	179.4°	90.0°
C16	C4	C3	H34	0.6°	90.0°
C4	C5	C6	C12	178.6°	90.0°
C4	C5	C6	C7	1.4°	90.0°
C5	C4	C3	C8	0.3°	90.0°
C5	C4	C3	H34	179.8°	90.0°
C5	C6	C12	C7	180.0°	90.0°
C5	C6	C12	C13	179.9°	90.0°
C6	C5	C4	C3	1.1°	90.0°
C5	C6	C7	C8	0.8°	90.0°
C5	C6	C7	C15	179.9°	90.0°
C6	C12	C13	O22	178.8°	90.0°
C6	C12	C13	N14	0.2°	90.0°
C12	C6	C7	C8	179.2°	90.0°
C12	C6	C7	C15	0.1°	90.0°
C6	C12	C11	H37	179.9°	90.0°
C12	C13	O22	N14	179.0°	90.0°
C13	C12	C6	C7	0.1°	90.0°
C12	C13	N14	C15	0.2°	90.0°
C13	C12	C11	H37	0.0°	90.0°
C12	C13	N14	H38	179.8°	90.0°
O22	C13	N14	C15	178.9°	90.0°
O22	C13	N14	H38	1.1°	90.0°
C4	C3	C8	H34	180.0°	90.0°
C4	C3	C8	C7	0.3°	90.0°
C4	C3	C8	H35	179.7°	90.0°
C6	C7	C8	C3	0.0°	90.0°
C6	C7	C8	C15	179.3°	90.0°
C6	C7	C15	N14	0.1°	90.0°
C6	C7	C15	O21	179.7°	90.0°
C6	C7	C8	H35	180.0°	90.0°
C13	N14	C15	C7	0.0°	90.0°
C13	N14	C15	H38	180.0°	90.0°
C13	N14	C15	O21	179.6°	90.0°
C3	C8	C7	H35	180.0°	90.0°
C3	C8	C7	C15	179.2°	90.0°
C8	C7	C15	N14	179.1°	90.0°
C8	C7	C15	O21	0.5°	90.0°
C7	C8	C3	H34	179.7°	90.0°
C7	C15	N14	O21	179.6°	90.0°
C15	C7	C8	H35	0.8°	90.0°
C7	C15	N14	H38	180.0°	90.0°
O21	C15	N14	H38	0.4°	90.0°
H46	N2	H32	H33	120.0°	90.0°
H45	N1	H30	H31	120.0°	90.0°
H40	C25	C24	H39	0.2°	90.0°
H42	C28	C27	H41	0.1°	90.0°
H34	C3	C8	H35	0.3°	90.0°
H36	C10	C11	H37	0.1°	90.0°

Release date:	2023-06-28
Definition date:	2023-03-23
Last modified:	2023-09-23
Release status:	REL
Processing site:	PDBJ
Derived from:	8IJC