MZL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.40Å	1.51Å	Aromatic
N1	C3	sing	1.36Å	1.49Å	Aromatic
N1	N4	sing	1.40Å	1.40Å	Aromatic
C2	C5	doub	1.39Å	1.36Å	Aromatic
C2	C6	sing	1.39Å	1.50Å	Aromatic
C3	C7	doub	1.35Å	1.33Å	Aromatic
C3	C8	sing	1.51Å	1.55Å
N4	C9	doub	1.32Å	1.28Å	Aromatic
C5	C10	sing	1.38Å	1.51Å	Aromatic
C6	C11	doub	1.38Å	1.34Å	Aromatic
C7	C9	sing	1.41Å	1.47Å	Aromatic
C8	C12	sing	1.53Å	1.56Å
C9	C13	sing	1.48Å	1.49Å	Aromatic
C10	C14	doub	1.39Å	1.37Å	Aromatic
C11	C14	sing	1.39Å	1.46Å	Aromatic
C13	C15	doub	1.40Å	1.38Å	Aromatic
C13	C16	sing	1.39Å	1.47Å	Aromatic
C14	N17	sing	1.40Å	1.42Å
C15	C18	sing	1.38Å	1.49Å	Aromatic
C16	N19	doub	1.32Å	1.31Å	Aromatic
N17	C20	sing	1.35Å	1.42Å
C18	C21	doub	1.38Å	1.34Å	Aromatic
N19	C21	sing	1.32Å	1.46Å	Aromatic
C20	C22	sing	1.48Å	1.49Å
C20	O23	doub	1.22Å	1.24Å
C22	C24	doub	1.40Å	1.35Å	Aromatic
C22	C25	sing	1.40Å	1.49Å	Aromatic
C24	C26	sing	1.38Å	1.48Å	Aromatic
C25	N27	doub	1.32Å	1.31Å	Aromatic
C26	C28	doub	1.38Å	1.35Å	Aromatic
N27	C28	sing	1.32Å	1.42Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
N17	HN17	sing	0.97Å	1.00Å
C18	H18	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C28	H28	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C3	128.2°	126.0°
C2	N1	N4	125.1°	126.0°
N1	C2	C5	121.8°	120.0°
N1	C2	C6	120.1°	120.0°
C3	N1	N4	106.7°	108.0°
N1	C3	C7	107.4°	107.9°
N1	C3	C8	126.8°	126.1°
N1	N4	C9	108.0°	108.1°
C5	C2	C6	118.1°	120.0°
C2	C5	C10	119.2°	120.0°
C2	C5	H5	120.4°	120.0°
C2	C6	C11	122.6°	120.0°
C2	C6	H6	118.7°	120.0°
C7	C3	C8	125.7°	126.0°
C3	C7	C9	105.7°	107.9°
C3	C7	H7	127.1°	126.1°
C3	C8	C12	116.7°	109.5°
C3	C8	H8	107.2°	109.4°
C3	C8	H8A	107.1°	109.5°
N4	C9	C7	112.1°	108.1°
N4	C9	C13	125.9°	126.0°
C5	C10	C14	120.5°	120.0°
C10	C5	H5	120.4°	120.0°
C5	C10	H10	119.8°	120.0°
C6	C11	C14	119.9°	120.0°
C11	C6	H6	118.7°	120.0°
C6	C11	H11	120.0°	120.0°
C7	C9	C13	122.0°	126.0°
C9	C7	H7	127.1°	126.0°
C12	C8	H8	107.1°	109.5°
C12	C8	H8A	107.1°	109.5°
C8	C12	H12	109.5°	109.5°
C8	C12	H12A	109.4°	109.5°
C8	C12	H12B	109.5°	109.4°
C9	C13	C15	120.4°	120.5°
C9	C13	C16	121.4°	120.5°
C10	C14	C11	119.7°	120.0°
C10	C14	N17	123.6°	120.0°
C14	C10	H10	119.7°	120.0°
C11	C14	N17	116.7°	120.0°
C14	C11	H11	120.0°	120.0°
C15	C13	C16	118.2°	118.9°
C13	C15	C18	121.1°	118.3°
C13	C15	H15	119.4°	120.9°
C13	C16	N19	119.5°	120.6°
C13	C16	H16	120.2°	119.7°
C14	N17	C20	125.3°	120.0°
C14	N17	HN17	117.4°	120.1°
C15	C18	C21	118.0°	119.3°
C18	C15	H15	119.5°	120.8°
C15	C18	H18	121.0°	120.4°
C16	N19	C21	123.4°	121.9°
N19	C16	H16	120.3°	119.7°
N17	C20	C22	118.8°	120.0°
N17	C20	O23	120.3°	120.0°
C20	N17	HN17	117.4°	120.0°
C18	C21	N19	119.9°	121.0°
C21	C18	H18	121.0°	120.3°
C18	C21	H21	120.0°	119.5°
N19	C21	H21	120.1°	119.5°
C22	C20	O23	120.9°	120.0°
C20	C22	C24	120.5°	120.6°
C20	C22	C25	121.5°	120.6°
C24	C22	C25	118.0°	118.9°
C22	C24	C26	120.5°	118.3°
C22	C24	H24	119.7°	120.8°
C22	C25	N27	120.1°	120.5°
C22	C25	H25	119.9°	119.7°
C24	C26	C28	118.8°	119.3°
C26	C24	H24	119.7°	120.9°
C24	C26	H26	120.5°	120.3°
C25	N27	C28	122.3°	121.9°
N27	C25	H25	119.9°	119.8°
C26	C28	N27	120.3°	121.1°
C28	C26	H26	120.6°	120.3°
C26	C28	H28	119.8°	119.5°
N27	C28	H28	119.9°	119.4°
H8	C8	H8A	111.7°	109.5°
H12	C12	H12A	109.5°	109.5°
H12	C12	H12B	109.4°	109.5°
H12A	C12	H12B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C3	N4	179.3°	179.7°
N1	C2	C5	C6	178.6°	179.7°
C2	N1	C3	C7	179.6°	179.9°
C2	N1	C3	C8	0.1°	0.0°
C2	N1	N4	C9	179.4°	180.0°
N1	C2	C5	C10	178.4°	180.0°
N1	C2	C6	C11	178.5°	180.0°
N1	C2	C5	H5	1.6°	0.1°
N1	C2	C6	H6	1.5°	0.0°
C3	N1	C2	C5	59.6°	43.3°
C3	N1	C2	C6	119.0°	137.0°
N1	C3	C7	C8	179.4°	180.0°
C3	N1	N4	C9	0.1°	0.2°
N1	C3	C7	C9	0.4°	0.1°
N1	C3	C8	C12	164.9°	100.0°
N1	C3	C7	H7	179.7°	180.0°
N1	C3	C8	H8	75.1°	20.0°
N1	C3	C8	H8A	45.0°	140.0°
N4	N1	C2	C5	121.3°	137.0°
N4	N1	C2	C6	60.1°	42.7°
N4	N1	C3	C7	0.3°	0.2°
N4	N1	C3	C8	179.1°	179.8°
N1	N4	C9	C7	0.1°	0.2°
N1	N4	C9	C13	178.6°	180.0°
C2	C5	C10	H5	180.0°	180.0°
C5	C2	C6	C11	0.1°	0.3°
C2	C5	C10	C14	0.3°	0.0°
C5	C2	C6	H6	179.9°	179.7°
C2	C5	C10	H10	179.7°	179.9°
C6	C2	C5	C10	0.3°	0.3°
C2	C6	C11	H6	180.0°	179.9°
C2	C6	C11	C14	0.5°	0.0°
C6	C2	C5	H5	179.7°	179.7°
C2	C6	C11	H11	179.4°	180.0°
C3	C7	C9	N4	0.3°	0.0°
C3	C7	C9	H7	180.0°	179.9°
C7	C3	C8	C12	14.4°	80.0°
C3	C7	C9	C13	178.4°	179.9°
C7	C3	C8	H8	105.6°	160.0°
C7	C3	C8	H8A	134.4°	40.0°
C8	C3	C7	C9	179.1°	179.9°
C3	C8	C12	H8	120.0°	120.0°
C3	C8	C12	H8A	120.0°	120.1°
C8	C3	C7	H7	0.9°	0.0°
C3	C8	H8	H8A	117.1°	120.0°
C3	C8	C12	H12	180.0°	58.3°
C3	C8	C12	H12A	60.0°	61.8°
C3	C8	C12	H12B	60.0°	178.3°
N4	C9	C7	C13	178.7°	179.9°
N4	C9	C13	C15	169.3°	0.1°
N4	C9	C13	C16	12.0°	179.8°
N4	C9	C7	H7	179.7°	179.8°
C5	C10	C14	H10	180.0°	179.9°
C5	C10	C14	C11	0.9°	0.3°
C5	C10	C14	N17	179.5°	180.0°
C6	C11	C14	C10	1.1°	0.3°
C6	C11	C14	H11	180.0°	180.0°
C6	C11	C14	N17	179.3°	180.0°
C7	C9	C13	C15	12.2°	179.9°
C7	C9	C13	C16	166.6°	0.4°
C12	C8	H8	H8A	117.0°	120.0°
C8	C12	H12	H12A	120.0°	120.0°
C8	C12	H12	H12B	120.0°	120.0°
C8	C12	H12A	H12B	120.0°	119.9°
C9	C13	C15	C16	178.8°	179.8°
C9	C13	C15	C18	178.9°	180.0°
C9	C13	C16	N19	178.9°	179.9°
C13	C9	C7	H7	1.6°	0.0°
C9	C13	C15	H15	1.1°	0.1°
C9	C13	C16	H16	1.1°	0.0°
C10	C14	C11	N17	179.6°	179.7°
C10	C14	N17	C20	102.1°	34.3°
C14	C10	C5	H5	179.7°	179.9°
C10	C14	C11	H11	178.9°	179.7°
C10	C14	N17	HN17	77.9°	145.7°
C11	C14	N17	C20	78.2°	145.5°
C14	C11	C6	H6	179.5°	180.0°
C11	C14	C10	H10	179.1°	179.8°
C11	C14	N17	HN17	101.8°	34.6°
C13	C15	C18	H15	180.0°	179.9°
C15	C13	C16	N19	0.1°	0.2°
C13	C15	C18	C21	0.1°	0.0°
C15	C13	C16	H16	179.9°	179.7°
C13	C15	C18	H18	179.9°	180.0°
C16	C13	C15	C18	0.1°	0.2°
C13	C16	N19	H16	180.0°	179.9°
C13	C16	N19	C21	0.1°	0.1°
C16	C13	C15	H15	179.9°	179.8°
C14	N17	C20	HN17	180.0°	180.0°
C14	N17	C20	C22	178.3°	174.8°
C14	N17	C20	O23	0.2°	5.2°
N17	C14	C10	H10	0.5°	0.1°
N17	C14	C11	H11	0.7°	0.0°
C15	C18	C21	H18	180.0°	180.0°
C15	C18	C21	N19	0.1°	0.3°
C15	C18	C21	H21	179.9°	180.0°
C16	N19	C21	C18	0.2°	0.4°
C16	N19	C21	H21	179.8°	179.9°
N17	C20	C22	O23	178.5°	180.0°
N17	C20	C22	C24	178.6°	180.0°
N17	C20	C22	C25	0.9°	0.3°
C18	C21	N19	H21	180.0°	179.7°
C21	C18	C15	H15	179.9°	179.9°
C21	N19	C16	H16	179.9°	180.0°
N19	C21	C18	H18	179.9°	179.7°
C20	C22	C24	C25	179.5°	179.8°
C20	C22	C24	C26	179.8°	180.0°
C20	C22	C25	N27	179.7°	180.0°
C22	C20	N17	HN17	1.7°	5.2°
C20	C22	C24	H24	0.3°	0.0°
C20	C22	C25	H25	0.3°	0.0°
O23	C20	C22	C24	0.1°	0.0°
O23	C20	C22	C25	179.4°	179.8°
O23	C20	N17	HN17	179.8°	174.8°
C22	C24	C26	H24	180.0°	180.0°
C24	C22	C25	N27	0.2°	0.2°
C22	C24	C26	C28	0.0°	0.0°
C24	C22	C25	H25	179.8°	179.7°
C22	C24	C26	H26	180.0°	180.0°
C25	C22	C24	C26	0.2°	0.2°
C22	C25	N27	H25	180.0°	180.0°
C22	C25	N27	C28	0.1°	0.1°
C25	C22	C24	H24	179.8°	179.7°
C24	C26	C28	H26	180.0°	180.0°
C24	C26	C28	N27	0.3°	0.3°
C24	C26	C28	H28	179.7°	180.0°
C25	N27	C28	C26	0.3°	0.3°
C25	N27	C28	H28	179.7°	180.0°
C26	C28	N27	H28	180.0°	179.7°
C28	C26	C24	H24	180.0°	180.0°
C28	N27	C25	H25	179.9°	180.0°
N27	C28	C26	H26	179.7°	179.7°
H5	C5	C10	H10	0.3°	0.1°
H6	C6	C11	H11	0.6°	0.0°
H8	C8	C12	H12	59.9°	178.2°
H8	C8	C12	H12A	180.0°	58.2°
H8	C8	C12	H12B	60.0°	61.8°
H8A	C8	C12	H12	60.0°	61.8°
H8A	C8	C12	H12A	60.0°	178.2°
H8A	C8	C12	H12B	180.0°	58.2°
H12	C12	H12A	H12B	120.0°	120.0°
H15	C15	C18	H18	0.1°	0.0°
H18	C18	C21	H21	0.1°	0.0°
H24	C24	C26	H26	0.0°	0.1°
H26	C26	C28	H28	0.3°	0.1°

Definition date:	2010-09-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3OTQ