2ZT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	doub	1.36Å	1.40Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C2	C1	doub	1.36Å	1.39Å	Aromatic
C5	C6	doub	1.41Å	1.39Å	Aromatic
C5	C22	sing	1.42Å	1.39Å	Aromatic
C6	C7	sing	1.37Å	1.39Å	Aromatic
C1	C22	sing	1.41Å	1.40Å	Aromatic
C22	N21	doub	1.34Å	1.36Å	Aromatic
C7	C8	doub	1.39Å	1.40Å	Aromatic
N21	C8	sing	1.31Å	1.35Å	Aromatic
C8	C9	sing	1.51Å	1.52Å
O10	C9	sing	1.43Å	1.46Å
O10	C11	sing	1.36Å	1.34Å
C20	C11	doub	1.40Å	1.38Å	Aromatic
C20	C19	sing	1.36Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C19	C18	doub	1.40Å	1.39Å	Aromatic
C12	C13	doub	1.40Å	1.40Å	Aromatic
C18	C13	sing	1.42Å	1.39Å	Aromatic
C18	C17	sing	1.41Å	1.38Å	Aromatic
C13	N14	sing	1.34Å	1.36Å	Aromatic
C17	C16	doub	1.37Å	1.38Å	Aromatic
N14	C15	doub	1.31Å	1.36Å	Aromatic
C16	C15	sing	1.39Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
C20	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	120.6°	120.9°
C3	C4	C5	119.7°	119.6°
C4	C3	H3	119.7°	119.5°
C3	C4	H4	120.2°	120.2°
C3	C2	C1	119.6°	121.1°
C3	C2	H2	120.2°	119.5°
C2	C3	H3	119.7°	119.6°
C4	C5	C6	120.9°	121.4°
C4	C5	C22	120.0°	119.6°
C5	C4	H4	120.2°	120.2°
C2	C1	C22	119.9°	119.7°
C2	C1	H1	120.1°	120.2°
C1	C2	H2	120.2°	119.4°
C6	C5	C22	119.1°	119.0°
C5	C6	C7	119.7°	118.1°
C5	C6	H5	120.2°	120.9°
C5	C22	C1	120.1°	119.1°
C5	C22	N21	119.7°	119.8°
C6	C7	C8	119.7°	119.9°
C7	C6	H5	120.1°	120.9°
C6	C7	H6	120.1°	120.0°
C1	C22	N21	120.1°	121.1°
C22	C1	H1	120.0°	120.1°
C22	N21	C8	122.7°	121.3°
C7	C8	N21	119.1°	121.8°
C7	C8	C9	121.1°	119.1°
C8	C7	H6	120.1°	120.1°
N21	C8	C9	119.8°	119.2°
C8	C9	O10	112.5°	109.5°
C8	C9	H7	108.7°	109.5°
C8	C9	H8	108.7°	109.5°
C9	O10	C11	127.9°	117.0°
O10	C9	H7	108.7°	109.5°
O10	C9	H8	108.7°	109.4°
O10	C11	C20	119.9°	119.6°
O10	C11	C12	122.0°	119.6°
C11	C20	C19	121.2°	120.8°
C20	C11	C12	118.2°	120.8°
C11	C20	H14	119.4°	119.6°
C20	C19	C18	120.5°	119.8°
C20	C19	H13	119.8°	120.1°
C19	C20	H14	119.4°	119.6°
C11	C12	C13	121.4°	119.6°
C11	C12	H9	119.3°	120.1°
C19	C18	C13	119.1°	119.8°
C19	C18	C17	120.7°	121.2°
C18	C19	H13	119.8°	120.1°
C12	C13	C18	119.7°	119.1°
C12	C13	N14	120.3°	121.0°
C13	C12	H9	119.3°	120.2°
C13	C18	C17	120.3°	118.9°
C18	C13	N14	120.0°	119.9°
C18	C17	C16	118.8°	118.2°
C18	C17	H12	120.6°	120.9°
C13	N14	C15	120.8°	121.3°
C17	C16	C15	120.3°	119.9°
C17	C16	H11	119.8°	120.0°
C16	C17	H12	120.6°	120.9°
N14	C15	C16	119.8°	121.8°
N14	C15	H10	120.1°	119.1°
C16	C15	H10	120.1°	119.1°
C15	C16	H11	119.9°	120.1°
H7	C9	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H3	180.0°	179.9°
C3	C4	C5	H4	180.0°	180.0°
C4	C3	C2	C1	0.5°	0.0°
C3	C4	C5	C6	179.0°	180.0°
C3	C4	C5	C22	0.2°	0.0°
C4	C3	C2	H2	179.4°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C22	0.6°	0.1°
C3	C2	C1	H1	179.3°	179.7°
C2	C3	C4	H4	179.7°	180.0°
C4	C5	C6	C22	179.2°	180.0°
C4	C5	C6	C7	179.7°	180.0°
C4	C5	C22	C1	0.3°	0.0°
C4	C5	C22	N21	179.6°	180.0°
C5	C4	C3	H3	179.7°	179.9°
C4	C5	C6	H5	0.4°	0.1°
C2	C1	C22	C5	0.5°	0.1°
C2	C1	C22	H1	180.0°	179.6°
C2	C1	C22	N21	179.8°	179.9°
C1	C2	C3	H3	179.5°	180.0°
C5	C6	C7	H5	180.0°	179.9°
C6	C5	C22	C1	179.0°	180.0°
C6	C5	C22	N21	0.3°	0.0°
C5	C6	C7	C8	0.1°	0.0°
C6	C5	C4	H4	1.0°	0.0°
C5	C6	C7	H6	179.9°	179.9°
C22	C5	C6	C7	0.4°	0.0°
C5	C22	C1	N21	179.3°	180.0°
C5	C22	N21	C8	0.1°	0.1°
C5	C22	C1	H1	179.5°	179.7°
C22	C5	C4	H4	179.8°	180.0°
C22	C5	C6	H5	179.6°	180.0°
C6	C7	C8	H6	180.0°	180.0°
C6	C7	C8	N21	0.3°	0.0°
C6	C7	C8	C9	179.6°	180.0°
C1	C22	N21	C8	179.4°	179.9°
C22	C1	C2	H2	179.3°	180.0°
C22	N21	C8	C7	0.4°	0.1°
C22	N21	C8	C9	179.5°	179.9°
N21	C22	C1	H1	0.2°	0.3°
C7	C8	N21	C9	179.9°	180.0°
C7	C8	C9	O10	30.4°	0.0°
C8	C7	C6	H5	179.9°	180.0°
C7	C8	C9	H7	150.9°	120.0°
C7	C8	C9	H8	90.0°	120.0°
N21	C8	C9	O10	149.7°	180.0°
N21	C8	C7	H6	179.7°	180.0°
N21	C8	C9	H7	29.3°	60.0°
N21	C8	C9	H8	89.8°	60.0°
C8	C9	O10	H7	120.4°	120.0°
C8	C9	O10	H8	120.5°	120.0°
C8	C9	O10	C11	153.6°	180.0°
C9	C8	C7	H6	0.4°	0.0°
C8	C9	H7	H8	118.6°	120.0°
C9	O10	C11	C20	152.9°	0.3°
C9	O10	C11	C12	27.5°	180.0°
O10	C9	H7	H8	118.6°	120.0°
O10	C11	C20	C12	179.6°	179.7°
O10	C11	C20	C19	180.0°	179.7°
O10	C11	C12	C13	179.8°	180.0°
C11	O10	C9	H7	33.2°	60.0°
C11	O10	C9	H8	85.9°	60.0°
O10	C11	C12	H9	0.2°	0.1°
O10	C11	C20	H14	0.0°	0.0°
C11	C20	C19	H14	180.0°	179.7°
C11	C20	C19	C18	0.4°	0.6°
C20	C11	C12	C13	0.2°	0.3°
C20	C11	C12	H9	179.8°	179.7°
C11	C20	C19	H13	179.6°	179.7°
C19	C20	C11	C12	0.4°	0.6°
C20	C19	C18	H13	180.0°	179.6°
C20	C19	C18	C13	0.3°	0.3°
C20	C19	C18	C17	179.8°	179.7°
C11	C12	C13	H9	180.0°	179.9°
C11	C12	C13	C18	0.0°	0.0°
C11	C12	C13	N14	179.6°	180.0°
C12	C11	C20	H14	179.6°	179.7°
C19	C18	C13	C12	0.1°	0.0°
C19	C18	C13	C17	179.9°	180.0°
C19	C18	C13	N14	179.6°	180.0°
C19	C18	C17	C16	179.6°	180.0°
C19	C18	C17	H12	0.4°	0.0°
C18	C19	C20	H14	179.6°	179.7°
C12	C13	C18	N14	179.6°	180.0°
C12	C13	C18	C17	180.0°	180.0°
C12	C13	N14	C15	179.9°	179.9°
C13	C18	C17	C16	0.4°	0.0°
C18	C13	N14	C15	0.5°	0.0°
C18	C13	C12	H9	180.0°	180.0°
C13	C18	C17	H12	179.6°	180.0°
C13	C18	C19	H13	179.7°	180.0°
C17	C18	C13	N14	0.4°	0.0°
C18	C17	C16	H12	180.0°	180.0°
C18	C17	C16	C15	0.5°	0.0°
C18	C17	C16	H11	179.5°	180.0°
C17	C18	C19	H13	0.2°	0.1°
C13	N14	C15	C16	0.5°	0.1°
N14	C13	C12	H9	0.4°	0.1°
C13	N14	C15	H10	179.4°	180.0°
C17	C16	C15	N14	0.5°	0.1°
C17	C16	C15	H11	180.0°	180.0°
C17	C16	C15	H10	179.4°	180.0°
N14	C15	C16	H10	180.0°	179.9°
N14	C15	C16	H11	179.4°	179.9°
C15	C16	C17	H12	179.5°	180.0°
H1	C1	C2	H2	0.7°	0.4°
H2	C2	C3	H3	0.6°	0.1°
H3	C3	C4	H4	0.3°	0.0°
H5	C6	C7	H6	0.1°	0.0°
H10	C15	C16	H11	0.6°	0.0°
H11	C16	C17	H12	0.5°	0.0°
H13	C19	C20	H14	0.4°	0.0°

Release date:	2014-05-14
Definition date:	2013-09-20
Last modified:	2014-05-09
Release status:	REL
Processing site:	RCSB
Derived from:	4MSC