3MZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C7	sing	1.36Å	1.35Å
C12	C11	sing	1.53Å	1.51Å
C12	C13	sing	1.53Å	1.51Å
O9	C6	sing	1.36Å	1.39Å
C11	C1	sing	1.51Å	1.50Å
C7	C6	doub	1.39Å	1.37Å	Aromatic
C7	C2	sing	1.41Å	1.37Å	Aromatic
C14	C13	sing	1.53Å	1.50Å
C14	C15	sing	1.53Å	1.49Å
C6	C5	sing	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.46Å	1.47Å
C1	O19	doub	1.21Å	1.22Å
C2	C3	doub	1.40Å	1.37Å	Aromatic
C16	C15	sing	1.53Å	1.50Å
C16	C17	sing	1.53Å	1.49Å
C5	O10	sing	1.36Å	1.35Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C17	C18	sing	1.53Å	1.50Å
C3	C4	sing	1.36Å	1.37Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.08Å	1.08Å
O8	H18	sing	0.97Å	0.95Å
O9	H19	sing	0.97Å	0.95Å
O10	H20	sing	0.97Å	0.95Å
C14	H21	sing	1.09Å	1.10Å
C14	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C7	C6	118.0°	120.2°
O8	C7	C2	120.0°	120.2°
C7	O8	H18	109.5°	114.0°
C11	C12	C13	112.7°	109.5°
C12	C11	C1	110.2°	109.5°
C12	C11	H8	109.3°	109.5°
C12	C11	H9	109.3°	109.5°
C11	C12	H10	108.7°	109.5°
C11	C12	H11	108.7°	109.5°
C12	C13	C14	108.4°	109.5°
C12	C13	H2	109.8°	109.5°
C12	C13	H3	109.7°	109.5°
C13	C12	H10	108.7°	109.5°
C13	C12	H11	108.6°	109.4°
O9	C6	C7	119.0°	120.1°
O9	C6	C5	124.3°	120.1°
C6	O9	H19	109.5°	114.0°
C11	C1	C2	119.9°	120.1°
C11	C1	O19	121.2°	120.0°
C1	C11	H8	109.3°	109.5°
C1	C11	H9	109.3°	109.5°
C6	C7	C2	122.0°	119.6°
C7	C6	C5	116.7°	119.9°
C7	C2	C1	120.0°	120.2°
C7	C2	C3	120.9°	119.7°
C13	C14	C15	107.8°	109.5°
C14	C13	H2	109.7°	109.4°
C14	C13	H3	109.7°	109.5°
C13	C14	H21	109.9°	109.4°
C13	C14	H22	109.9°	109.5°
C14	C15	C16	108.7°	109.5°
C14	C15	H4	109.6°	109.5°
C14	C15	H5	109.7°	109.5°
C15	C14	H21	109.9°	109.5°
C15	C14	H22	109.9°	109.5°
C6	C5	O10	120.6°	119.9°
C6	C5	C4	121.9°	120.3°
C2	C1	O19	118.9°	120.0°
C1	C2	C3	119.1°	120.1°
C2	C3	C4	118.9°	120.2°
C2	C3	H17	120.6°	119.9°
C15	C16	C17	108.0°	109.5°
C16	C15	H4	109.7°	109.5°
C16	C15	H5	109.7°	109.5°
C15	C16	H12	109.8°	109.5°
C15	C16	H13	109.9°	109.5°
C16	C17	C18	110.6°	109.5°
C16	C17	H6	109.2°	109.4°
C16	C17	H7	109.2°	109.5°
C17	C16	H12	109.8°	109.4°
C17	C16	H13	109.8°	109.5°
O10	C5	C4	117.5°	119.8°
C5	O10	H20	109.5°	114.0°
C5	C4	C3	119.6°	120.4°
C5	C4	H1	120.2°	119.7°
C18	C17	H6	109.2°	109.5°
C18	C17	H7	109.2°	109.5°
C17	C18	H14	109.5°	109.5°
C17	C18	H15	109.5°	109.5°
C17	C18	H16	109.5°	109.5°
C3	C4	H1	120.2°	119.8°
C4	C3	H17	120.5°	119.9°
H2	C13	H3	109.5°	109.5°
H4	C15	H5	109.5°	109.4°
H6	C17	H7	109.5°	109.5°
H8	C11	H9	109.5°	109.4°
H10	C12	H11	109.4°	109.5°
H12	C16	H13	109.5°	109.5°
H14	C18	H15	109.5°	109.4°
H14	C18	H16	109.5°	109.4°
H15	C18	H16	109.4°	109.5°
H21	C14	H22	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C7	C6	O9	0.2°	0.1°
O8	C7	C6	C2	179.5°	179.8°
O8	C7	C6	C5	180.0°	180.0°
O8	C7	C2	C1	0.5°	0.0°
O8	C7	C2	C3	179.7°	179.9°
C11	C12	C13	H10	120.5°	120.0°
C11	C12	C13	H11	120.5°	120.0°
C12	C11	C1	H8	120.1°	120.0°
C12	C11	C1	H9	120.1°	120.1°
C11	C12	C13	C14	139.2°	180.0°
C12	C11	C1	C2	175.8°	179.9°
C12	C11	C1	O19	6.7°	0.0°
C11	C12	C13	H2	19.4°	60.0°
C11	C12	C13	H3	101.0°	60.0°
C12	C11	H8	H9	119.6°	120.0°
C11	C12	H10	H11	118.5°	120.0°
C13	C12	C11	C1	49.8°	180.0°
C12	C13	C14	H2	119.8°	120.0°
C12	C13	C14	H3	119.8°	120.0°
C12	C13	C14	C15	153.6°	180.0°
C12	C13	H2	H3	120.5°	120.0°
C13	C12	C11	H8	70.3°	60.0°
C13	C12	C11	H9	169.9°	60.0°
C13	C12	H10	H11	118.5°	120.0°
C12	C13	C14	H21	86.7°	60.0°
C12	C13	C14	H22	33.8°	60.0°
O9	C6	C7	C5	179.8°	179.9°
O9	C6	C7	C2	179.3°	179.7°
O9	C6	C5	O10	1.2°	0.1°
O9	C6	C5	C4	179.3°	180.0°
C11	C1	C2	C7	30.3°	180.0°
C11	C1	C2	O19	177.6°	180.0°
C11	C1	C2	C3	149.0°	0.1°
C1	C11	H8	H9	119.7°	119.9°
C1	C11	C12	H10	70.7°	60.0°
C1	C11	C12	H11	170.3°	60.0°
C6	C7	C2	C1	179.1°	179.8°
C6	C7	C2	C3	0.2°	0.3°
C7	C6	C5	O10	179.1°	180.0°
C7	C6	C5	C4	0.5°	0.0°
C6	C7	O8	H18	180.0°	90.0°
C7	C6	O9	H19	180.0°	90.1°
C2	C7	C6	C5	0.5°	0.2°
C7	C2	C1	C3	179.3°	179.9°
C7	C2	C1	O19	152.2°	0.1°
C7	C2	C3	C4	0.1°	0.0°
C7	C2	C3	H17	179.9°	180.0°
C2	C7	O8	H18	0.4°	90.2°
C13	C14	C15	H21	119.8°	119.9°
C13	C14	C15	H22	119.7°	120.0°
C13	C14	C15	C16	148.7°	180.0°
C14	C13	H2	H3	120.5°	120.0°
C13	C14	C15	H4	91.4°	59.9°
C13	C14	C15	H5	28.9°	60.0°
C14	C13	C12	H10	100.3°	60.0°
C14	C13	C12	H11	18.7°	60.0°
C13	C14	H21	H22	120.7°	120.0°
C14	C15	C16	H4	119.9°	120.0°
C14	C15	C16	H5	119.9°	120.0°
C14	C15	C16	C17	91.6°	NaN°
C15	C14	C13	H2	33.7°	60.0°
C15	C14	C13	H3	86.6°	60.0°
C14	C15	H4	H5	120.4°	120.0°
C14	C15	C16	H12	28.1°	60.0°
C14	C15	C16	H13	148.6°	60.0°
C15	C14	H21	H22	120.8°	120.0°
C6	C5	O10	C4	179.6°	180.0°
C6	C5	C4	C3	0.2°	0.3°
C6	C5	C4	H1	179.8°	180.0°
C5	C6	O9	H19	0.3°	90.0°
C6	C5	O10	H20	180.0°	89.9°
C1	C2	C3	C4	179.3°	180.0°
C2	C1	C11	H8	64.2°	59.9°
C2	C1	C11	H9	55.6°	60.0°
C1	C2	C3	H17	0.7°	0.1°
O19	C1	C2	C3	28.6°	180.0°
O19	C1	C11	H8	113.4°	120.0°
O19	C1	C11	H9	126.8°	120.1°
C2	C3	C4	C5	0.0°	0.2°
C2	C3	C4	H17	180.0°	179.9°
C2	C3	C4	H1	180.0°	179.9°
C15	C16	C17	H12	119.8°	120.0°
C15	C16	C17	H13	119.8°	120.0°
C15	C16	C17	C18	75.4°	180.0°
C16	C15	H4	H5	120.4°	120.0°
C15	C16	C17	H6	44.8°	60.0°
C15	C16	C17	H7	164.4°	60.0°
C15	C16	H12	H13	120.7°	120.0°
C16	C15	C14	H21	28.9°	60.0°
C16	C15	C14	H22	91.6°	60.0°
C16	C17	C18	H6	120.2°	120.0°
C16	C17	C18	H7	120.2°	120.0°
C17	C16	C15	H4	148.5°	60.0°
C17	C16	C15	H5	28.2°	60.0°
C16	C17	H6	H7	119.4°	120.0°
C17	C16	H12	H13	120.6°	120.0°
C16	C17	C18	H14	180.0°	60.0°
C16	C17	C18	H15	60.0°	60.0°
C16	C17	C18	H16	60.0°	180.0°
O10	C5	C4	C3	179.3°	179.7°
O10	C5	C4	H1	0.7°	0.1°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	H17	180.0°	179.7°
C4	C5	O10	H20	0.4°	90.0°
C18	C17	H6	H7	119.5°	120.0°
C18	C17	C16	H12	164.8°	60.0°
C18	C17	C16	H13	44.4°	60.0°
C17	C18	H14	H15	120.0°	120.1°
C17	C18	H14	H16	120.0°	120.0°
C17	C18	H15	H16	120.0°	120.1°
H1	C4	C3	H17	0.0°	0.0°
H2	C13	C12	H10	139.9°	60.0°
H2	C13	C12	H11	101.1°	180.0°
H2	C13	C14	H21	153.5°	180.0°
H2	C13	C14	H22	86.0°	60.0°
H3	C13	C12	H10	19.5°	NaN°
H3	C13	C12	H11	138.5°	60.0°
H3	C13	C14	H21	33.1°	60.0°
H3	C13	C14	H22	153.6°	180.0°
H4	C15	C16	H12	91.7°	60.0°
H4	C15	C16	H13	28.8°	180.0°
H4	C15	C14	H21	148.8°	60.0°
H4	C15	C14	H22	28.3°	180.0°
H5	C15	C16	H12	148.0°	180.0°
H5	C15	C16	H13	91.5°	60.0°
H5	C15	C14	H21	90.9°	179.9°
H5	C15	C14	H22	148.6°	60.0°
H6	C17	C16	H12	75.0°	180.0°
H6	C17	C16	H13	164.5°	60.0°
H6	C17	C18	H14	59.8°	180.0°
H6	C17	C18	H15	179.8°	60.0°
H6	C17	C18	H16	60.2°	60.1°
H7	C17	C16	H12	44.6°	60.0°
H7	C17	C16	H13	75.8°	NaN°
H7	C17	C18	H14	59.8°	60.0°
H7	C17	C18	H15	60.2°	180.0°
H7	C17	C18	H16	179.8°	59.9°
H8	C11	C12	H10	169.2°	180.0°
H8	C11	C12	H11	50.2°	60.0°
H9	C11	C12	H10	49.4°	60.0°
H9	C11	C12	H11	69.6°	179.9°
H14	C18	H15	H16	120.0°	119.9°

Release date:	2015-09-09
Definition date:	2014-09-24
Last modified:	2015-09-04
Release status:	REL
Processing site:	PDBJ
Derived from:	4REE