675

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N18	C17	doub	1.30Å	1.36Å
N18	H18	sing	0.97Å	1.02Å
C17	N19	sing	1.38Å	1.37Å
C17	C12	sing	1.48Å	1.50Å
N19	H191	sing	0.97Å	1.02Å
N19	H192	sing	0.97Å	1.02Å
C12	C11	doub	1.41Å	1.44Å	Aromatic
C12	C13	sing	1.38Å	1.44Å	Aromatic
C11	C10	sing	1.36Å	1.42Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C10	C2	doub	1.41Å	1.42Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C2	C1	sing	1.40Å	1.39Å	Aromatic
C2	C3	sing	1.42Å	1.45Å	Aromatic
C1	C6	doub	1.38Å	1.44Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C6	C5	sing	1.41Å	1.47Å	Aromatic
C6	C23	sing	1.48Å	1.46Å
C5	C4	doub	1.36Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C4	C3	sing	1.41Å	1.36Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C3	C13	doub	1.40Å	1.37Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C23	O36	doub	1.22Å	1.23Å
C23	N24	sing	1.35Å	1.37Å
N24	C25	sing	1.40Å	1.38Å
N24	H24	sing	0.97Å	1.02Å
C25	C30	doub	1.39Å	1.40Å	Aromatic
C25	C26	sing	1.39Å	1.42Å	Aromatic
C30	C29	sing	1.38Å	1.40Å	Aromatic
C30	H30	sing	1.08Å	1.10Å
C29	C28	doub	1.38Å	1.43Å	Aromatic
C29	H29	sing	1.08Å	1.10Å
C28	C27	sing	1.38Å	1.39Å	Aromatic
C28	H28	sing	1.08Å	1.10Å
C27	C26	doub	1.38Å	1.40Å	Aromatic
C27	H27	sing	1.08Å	1.10Å
C26	H26	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	N18	H18	117.7°	120.0°
N18	C17	N19	124.5°	119.9°
N18	C17	C12	114.8°	120.0°
N19	C17	C12	120.7°	120.1°
C17	N19	H191	124.5°	120.0°
C17	N19	H192	106.8°	120.0°
C17	C12	C11	124.7°	119.7°
C17	C12	C13	124.3°	119.8°
H191	N19	H192	107.0°	120.0°
C11	C12	C13	111.0°	120.5°
C12	C11	C10	127.0°	120.8°
C12	C11	H11	117.4°	119.6°
C12	C13	C3	126.4°	119.6°
C12	C13	H13	119.5°	120.2°
C10	C11	H11	115.7°	119.6°
C11	C10	C2	116.6°	120.0°
C11	C10	H10	121.9°	120.0°
C2	C10	H10	121.5°	120.0°
C10	C2	C1	121.2°	120.9°
C10	C2	C3	120.0°	119.7°
C1	C2	C3	118.6°	119.4°
C2	C1	C6	123.7°	119.5°
C2	C1	H1	116.2°	120.2°
C2	C3	C4	122.9°	119.7°
C2	C3	C13	118.9°	119.4°
C6	C1	H1	120.1°	120.3°
C1	C6	C5	111.0°	120.6°
C1	C6	C23	125.7°	119.7°
C5	C6	C23	123.3°	119.7°
C6	C5	C4	128.3°	120.8°
C6	C5	H5	119.8°	119.6°
C6	C23	O36	117.2°	120.0°
C6	C23	N24	115.6°	120.0°
C4	C5	H5	112.0°	119.6°
C5	C4	C3	115.7°	120.1°
C5	C4	H4	122.7°	120.0°
C3	C4	H4	121.7°	120.0°
C4	C3	C13	118.1°	120.9°
C3	C13	H13	114.1°	120.2°
O36	C23	N24	126.2°	120.0°
C23	N24	C25	122.3°	120.0°
C23	N24	H24	118.6°	120.0°
C25	N24	H24	119.1°	119.9°
N24	C25	C30	112.3°	120.1°
N24	C25	C26	126.3°	120.1°
C30	C25	C26	121.3°	119.8°
C25	C30	C29	119.5°	120.0°
C25	C30	H30	120.4°	120.0°
C25	C26	C27	119.8°	120.0°
C25	C26	H26	120.7°	120.0°
C29	C30	H30	120.1°	120.0°
C30	C29	C28	118.2°	120.1°
C30	C29	H29	119.7°	120.0°
C28	C29	H29	122.0°	120.0°
C29	C28	C27	123.0°	120.1°
C29	C28	H28	119.9°	120.0°
C27	C28	H28	117.2°	119.9°
C28	C27	C26	117.9°	120.1°
C28	C27	H27	120.6°	119.9°
C26	C27	H27	121.4°	120.0°
C27	C26	H26	119.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N18	C17	N19	C12	178.6°	179.9°
N18	C17	N19	H191	180.0°	0.1°
N18	C17	N19	H192	54.7°	179.7°
N18	C17	C12	C11	23.5°	179.9°
N18	C17	C12	C13	156.5°	0.3°
H18	N18	C17	N19	4.7°	180.0°
H18	N18	C17	C12	174.0°	0.0°
C17	N19	H191	H192	125.3°	179.8°
N19	C17	C12	C11	155.2°	0.0°
N19	C17	C12	C13	24.7°	179.7°
C12	C17	N19	H191	1.4°	180.0°
C12	C17	N19	H192	126.7°	0.3°
C17	C12	C11	C13	180.0°	179.6°
C17	C12	C11	C10	176.4°	180.0°
C17	C12	C11	H11	3.5°	0.1°
C17	C12	C13	C3	177.4°	179.8°
C17	C12	C13	H13	2.5°	0.0°
C12	C11	C10	H11	180.0°	179.9°
C12	C11	C10	C2	1.9°	0.0°
C12	C11	C10	H10	178.1°	179.9°
C11	C12	C13	C3	2.6°	0.6°
C11	C12	C13	H13	177.4°	179.7°
C13	C12	C11	C10	3.6°	0.3°
C13	C12	C11	H11	176.4°	179.7°
C12	C13	C3	C2	0.0°	0.6°
C12	C13	C3	C4	176.3°	179.7°
C12	C13	C3	H13	180.0°	179.7°
C11	C10	C2	H10	180.0°	179.9°
C11	C10	C2	C1	175.4°	180.0°
C11	C10	C2	C3	1.1°	0.0°
H11	C11	C10	C2	178.1°	180.0°
H11	C11	C10	H10	1.9°	0.0°
C10	C2	C1	C3	174.3°	179.9°
C10	C2	C1	C6	174.9°	180.0°
C10	C2	C1	H1	5.1°	0.0°
C10	C2	C3	C4	174.1°	180.0°
C10	C2	C3	C13	2.0°	0.3°
H10	C10	C2	C1	4.7°	0.0°
H10	C10	C2	C3	178.9°	179.9°
C2	C1	C6	H1	180.0°	180.0°
C2	C1	C6	C5	0.7°	0.1°
C2	C1	C6	C23	179.9°	180.0°
C1	C2	C3	C4	0.3°	0.1°
C1	C2	C3	C13	176.4°	179.8°
C3	C2	C1	C6	0.6°	0.1°
C3	C2	C1	H1	179.4°	179.9°
C2	C3	C4	C5	0.9°	0.0°
C2	C3	C4	C13	176.2°	179.7°
C2	C3	C4	H4	179.1°	180.0°
C2	C3	C13	H13	180.0°	179.7°
C1	C6	C5	C23	179.4°	179.9°
C1	C6	C5	C4	0.1°	0.1°
C1	C6	C5	H5	179.9°	180.0°
C1	C6	C23	O36	150.9°	0.0°
C1	C6	C23	N24	39.7°	180.0°
H1	C1	C6	C5	179.3°	179.9°
H1	C1	C6	C23	0.0°	0.0°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.8°	0.1°
C6	C5	C4	H4	179.2°	180.0°
C5	C6	C23	O36	29.8°	179.9°
C5	C6	C23	N24	139.6°	0.1°
C23	C6	C5	C4	179.3°	180.0°
C23	C6	C5	H5	0.7°	0.0°
C6	C23	O36	N24	168.2°	180.0°
C6	C23	N24	C25	175.2°	174.5°
C6	C23	N24	H24	4.8°	5.6°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C13	177.1°	179.7°
H5	C5	C4	C3	179.2°	180.0°
H5	C5	C4	H4	0.8°	0.0°
C4	C3	C13	H13	3.7°	0.0°
H4	C4	C3	C13	2.9°	0.3°
O36	C23	N24	C25	6.9°	5.6°
O36	C23	N24	H24	173.1°	174.4°
C23	N24	C25	H24	180.0°	179.9°
C23	N24	C25	C30	141.0°	37.7°
C23	N24	C25	C26	36.1°	142.6°
N24	C25	C30	C26	177.3°	179.7°
N24	C25	C30	C29	176.0°	180.0°
N24	C25	C30	H30	3.9°	0.0°
N24	C25	C26	C27	177.8°	179.7°
N24	C25	C26	H26	2.1°	0.3°
H24	N24	C25	C30	39.0°	142.4°
H24	N24	C25	C26	143.8°	37.3°
C25	C30	C29	H30	180.0°	180.0°
C25	C30	C29	C28	3.4°	0.0°
C25	C30	C29	H29	176.5°	180.0°
C30	C25	C26	C27	5.3°	0.6°
C30	C25	C26	H26	174.8°	180.0°
C26	C25	C30	C29	6.7°	0.3°
C26	C25	C30	H30	173.4°	179.7°
C25	C26	C27	C28	0.7°	0.6°
C25	C26	C27	H26	179.9°	179.4°
C25	C26	C27	H27	179.3°	179.7°
C30	C29	C28	H29	180.0°	180.0°
C30	C29	C28	C27	1.1°	0.0°
C30	C29	C28	H28	178.8°	179.9°
H30	C30	C29	C28	176.6°	179.9°
H30	C30	C29	H29	3.5°	0.0°
C29	C28	C27	H28	179.9°	180.0°
C29	C28	C27	C26	2.5°	0.3°
C29	C28	C27	H27	177.6°	180.0°
H29	C29	C28	C27	178.9°	180.0°
H29	C29	C28	H28	1.1°	0.0°
C28	C27	C26	H27	179.9°	179.7°
C28	C27	C26	H26	179.4°	180.0°
H28	C28	C27	C26	177.4°	179.7°
H28	C28	C27	H27	2.5°	0.0°
H27	C27	C26	H26	0.7°	0.3°

Definition date:	2003-04-09
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1OWE