04L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C1	sing	1.48Å	1.49Å	Aromatic
N2	C1	sing	1.37Å	1.35Å	Aromatic
C1	N3	doub	1.31Å	1.35Å	Aromatic
N2	C4	sing	1.38Å	1.34Å	Aromatic
N3	C6	sing	1.35Å	1.35Å	Aromatic
C4	N8	sing	1.32Å	1.36Å	Aromatic
C4	C6	doub	1.41Å	1.39Å	Aromatic
N9	C5	sing	1.35Å	1.34Å
O18	C5	doub	1.22Å	1.22Å
C5	C7	sing	1.48Å	1.50Å
C6	C10	sing	1.40Å	1.39Å	Aromatic
C7	C19	doub	1.40Å	1.39Å	Aromatic
C7	C16	sing	1.40Å	1.39Å	Aromatic
N8	C22	doub	1.32Å	1.35Å	Aromatic
C14	N9	sing	1.40Å	1.36Å
N9	HN9	sing	0.97Å	1.00Å
C10	C14	doub	1.39Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
O21	C11	doub	1.22Å	1.23Å
C11	N13	sing	1.35Å	1.34Å
C11	C12	sing	1.46Å	1.37Å
C15	C12	doub	1.35Å	1.26Å
C12	H12	sing	1.08Å	1.08Å
C20	N13	sing	1.40Å	1.37Å
N13	HN13	sing	0.97Å	1.00Å
C22	C14	sing	1.39Å	1.40Å	Aromatic
C15	C25	sing	1.47Å	1.49Å
C15	H15	sing	1.08Å	1.08Å
C16	C20	doub	1.39Å	1.40Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C27	C17	doub	1.40Å	1.39Å	Aromatic
C17	C28	sing	1.40Å	1.40Å	Aromatic
C26	C19	sing	1.51Å	1.51Å
C19	C23	sing	1.38Å	1.40Å	Aromatic
C20	C24	sing	1.39Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	C24	doub	1.38Å	1.40Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C29	C25	doub	1.40Å	1.40Å	Aromatic
C25	C30	sing	1.40Å	1.40Å	Aromatic
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C26	H26B	sing	1.09Å	1.10Å
C31	C27	sing	1.38Å	1.39Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C32	C28	doub	1.38Å	1.40Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C29	C33	sing	1.38Å	1.40Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C30	C34	doub	1.38Å	1.40Å	Aromatic
C30	H30	sing	1.08Å	1.08Å
C31	C35	doub	1.38Å	1.39Å	Aromatic
C31	H31	sing	1.08Å	1.08Å
C35	C32	sing	1.38Å	1.40Å	Aromatic
C32	H32	sing	1.08Å	1.08Å
C33	C36	doub	1.38Å	1.39Å	Aromatic
C33	H33	sing	1.08Å	1.08Å
C36	C34	sing	1.38Å	1.40Å	Aromatic
C34	H34	sing	1.08Å	1.08Å
C35	H35	sing	1.08Å	1.08Å
C36	H36	sing	1.08Å	1.08Å
N2	HN2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C1	N2	125.4°	125.1°
C17	C1	N3	126.5°	125.1°
C1	C17	C27	120.2°	120.1°
C1	C17	C28	120.3°	120.2°
N2	C1	N3	108.1°	109.8°
C1	N2	C4	108.9°	107.3°
C1	N2	HN2	125.6°	126.3°
C1	N3	C6	108.4°	109.5°
N2	C4	N8	132.3°	133.5°
N2	C4	C6	107.0°	106.0°
C4	N2	HN2	125.5°	126.4°
N3	C6	C4	107.6°	107.3°
N3	C6	C10	132.9°	133.6°
N8	C4	C6	120.7°	120.4°
C4	N8	C22	120.6°	121.7°
C4	C6	C10	119.5°	119.0°
N9	C5	O18	122.6°	120.0°
N9	C5	C7	119.6°	120.0°
C5	N9	C14	127.0°	120.0°
C5	N9	HN9	116.5°	120.1°
O18	C5	C7	117.8°	120.0°
C5	C7	C19	121.3°	120.1°
C5	C7	C16	118.4°	120.1°
C6	C10	C14	119.2°	118.1°
C6	C10	H10	120.4°	120.9°
C19	C7	C16	120.3°	119.8°
C7	C19	C26	120.9°	120.0°
C7	C19	C23	119.1°	120.0°
C7	C16	C20	121.0°	119.8°
C7	C16	H16	119.5°	120.1°
N8	C22	C14	120.9°	121.3°
N8	C22	H22	119.5°	119.3°
C14	N9	HN9	116.5°	120.0°
N9	C14	C10	122.7°	120.3°
N9	C14	C22	118.2°	120.3°
C14	C10	H10	120.4°	120.9°
C10	C14	C22	119.0°	119.4°
O21	C11	N13	121.0°	120.0°
O21	C11	C12	118.8°	120.0°
N13	C11	C12	120.2°	120.0°
C11	N13	C20	125.0°	120.0°
C11	N13	HN13	117.5°	120.0°
C11	C12	C15	119.7°	120.0°
C11	C12	H12	120.2°	120.0°
C15	C12	H12	120.2°	120.0°
C12	C15	C25	124.1°	120.0°
C12	C15	H15	117.9°	120.0°
C20	N13	HN13	117.5°	120.0°
N13	C20	C16	121.9°	120.0°
N13	C20	C24	119.5°	120.0°
C14	C22	H22	119.5°	119.3°
C25	C15	H15	117.9°	120.0°
C15	C25	C29	119.3°	120.1°
C15	C25	C30	121.2°	120.2°
C20	C16	H16	119.5°	120.1°
C16	C20	C24	118.6°	120.0°
C27	C17	C28	119.5°	119.7°
C17	C27	C31	120.5°	119.8°
C17	C27	H27	119.7°	120.0°
C17	C28	C32	120.1°	119.9°
C17	C28	H28	119.9°	120.1°
C26	C19	C23	120.0°	120.0°
C19	C26	H26	109.5°	109.5°
C19	C26	H26A	109.5°	109.5°
C19	C26	H26B	109.4°	109.5°
C19	C23	C24	120.4°	120.2°
C19	C23	H23	119.8°	119.9°
C20	C24	C23	120.6°	120.2°
C20	C24	H24	119.7°	119.9°
C24	C23	H23	119.8°	119.9°
C23	C24	H24	119.7°	119.9°
C29	C25	C30	119.5°	119.7°
C25	C29	C33	120.4°	119.8°
C25	C29	H29	119.8°	120.2°
C25	C30	C34	120.3°	119.8°
C25	C30	H30	119.9°	120.1°
H26	C26	H26A	109.4°	109.5°
H26	C26	H26B	109.5°	109.5°
H26A	C26	H26B	109.5°	109.4°
C31	C27	H27	119.8°	120.1°
C27	C31	C35	119.9°	120.1°
C27	C31	H31	120.1°	119.9°
C32	C28	H28	119.9°	120.1°
C28	C32	C35	120.0°	120.1°
C28	C32	H32	120.0°	119.9°
C33	C29	H29	119.8°	120.0°
C29	C33	C36	119.9°	120.1°
C29	C33	H33	120.0°	119.9°
C34	C30	H30	119.8°	120.1°
C30	C34	C36	120.0°	120.2°
C30	C34	H34	120.0°	119.9°
C35	C31	H31	120.0°	120.0°
C31	C35	C32	120.0°	120.3°
C31	C35	H35	120.0°	119.9°
C35	C32	H32	120.0°	120.0°
C32	C35	H35	120.0°	119.8°
C36	C33	H33	120.1°	119.9°
C33	C36	C34	119.9°	120.3°
C33	C36	H36	120.0°	119.8°
C36	C34	H34	120.0°	119.9°
C34	C36	H36	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C1	N2	N3	179.6°	179.8°
C17	C1	N2	C4	180.0°	179.7°
C17	C1	N3	C6	179.7°	179.8°
C1	C17	C27	C28	179.5°	179.8°
C1	C17	C27	C31	179.7°	180.0°
C1	C17	C27	H27	0.3°	0.0°
C1	C17	C28	C32	179.7°	180.0°
C1	C17	C28	H28	0.3°	0.0°
C17	C1	N2	HN2	0.0°	0.2°
C1	N2	C4	HN2	180.0°	179.9°
N2	C1	N3	C6	0.1°	0.0°
C1	N2	C4	N8	180.0°	179.9°
C1	N2	C4	C6	0.5°	0.0°
N2	C1	C17	C27	15.9°	0.5°
N2	C1	C17	C28	163.7°	179.7°
N3	C1	N2	C4	0.4°	0.1°
C1	N3	C6	C4	0.2°	0.0°
C1	N3	C6	C10	179.7°	180.0°
N3	C1	C17	C27	164.7°	179.8°
N3	C1	C17	C28	15.8°	0.0°
N3	C1	N2	HN2	179.6°	180.0°
N2	C4	C6	N3	0.5°	0.0°
N2	C4	N8	C6	179.4°	179.9°
N2	C4	C6	C10	180.0°	180.0°
N2	C4	N8	C22	179.4°	180.0°
N3	C6	C4	N8	180.0°	179.9°
N3	C6	C4	C10	179.6°	180.0°
N3	C6	C10	C14	179.9°	179.9°
N3	C6	C10	H10	0.1°	0.0°
N8	C4	C6	C10	0.4°	0.0°
C4	N8	C22	C14	0.3°	0.1°
C4	N8	C22	H22	179.7°	179.9°
N8	C4	N2	HN2	0.0°	0.0°
C6	C4	N8	C22	0.0°	0.1°
C4	C6	C10	C14	0.6°	0.1°
C4	C6	C10	H10	179.4°	180.0°
C6	C4	N2	HN2	179.5°	180.0°
N9	C5	O18	C7	179.4°	180.0°
N9	C5	C7	C19	78.9°	172.2°
N9	C5	C7	C16	102.1°	7.5°
C5	N9	C14	HN9	180.0°	179.9°
C5	N9	C14	C10	12.1°	33.1°
C5	N9	C14	C22	168.0°	147.1°
O18	C5	C7	C19	101.7°	7.7°
O18	C5	C7	C16	77.3°	172.5°
O18	C5	N9	C14	0.4°	5.6°
O18	C5	N9	HN9	179.6°	174.3°
C5	C7	C19	C16	178.9°	179.7°
C7	C5	N9	C14	179.8°	174.4°
C7	C5	N9	HN9	0.2°	5.7°
C5	C7	C16	C20	179.9°	180.0°
C5	C7	C16	H16	0.1°	0.0°
C5	C7	C19	C26	0.9°	0.0°
C5	C7	C19	C23	179.5°	180.0°
C6	C10	C14	N9	179.8°	180.0°
C6	C10	C14	H10	180.0°	179.9°
C6	C10	C14	C22	0.4°	0.2°
C19	C7	C16	C20	0.9°	0.3°
C19	C7	C16	H16	179.1°	179.7°
C7	C19	C26	C23	179.6°	180.0°
C7	C19	C23	C24	0.1°	0.0°
C7	C19	C23	H23	179.9°	180.0°
C7	C19	C26	H26	90.2°	82.4°
C7	C19	C26	H26A	149.8°	157.5°
C7	C19	C26	H26B	29.8°	37.6°
C7	C16	C20	N13	179.4°	180.0°
C7	C16	C20	H16	180.0°	180.0°
C16	C7	C19	C26	179.9°	179.7°
C16	C7	C19	C23	0.5°	0.3°
C7	C16	C20	C24	0.7°	0.0°
N8	C22	C14	N9	179.8°	180.0°
N8	C22	C14	C10	0.1°	0.2°
N8	C22	C14	H22	180.0°	179.9°
N9	C14	C10	C22	179.9°	179.8°
N9	C14	C10	H10	0.2°	0.1°
N9	C14	C22	H22	0.2°	0.1°
HN9	N9	C14	C10	167.9°	147.0°
HN9	N9	C14	C22	12.0°	32.8°
C10	C14	C22	H22	179.9°	179.9°
H10	C10	C14	C22	179.6°	179.9°
O21	C11	N13	C12	179.9°	180.0°
O21	C11	C12	C15	42.0°	0.0°
O21	C11	C12	H12	138.0°	180.0°
O21	C11	N13	C20	0.7°	4.6°
O21	C11	N13	HN13	179.3°	175.4°
N13	C11	C12	C15	137.9°	179.9°
N13	C11	C12	H12	42.1°	0.0°
C11	N13	C20	HN13	180.0°	180.0°
C11	N13	C20	C16	42.3°	147.8°
C11	N13	C20	C24	137.8°	32.3°
C11	C12	C15	H12	180.0°	179.9°
C12	C11	N13	C20	179.2°	175.4°
C12	C11	N13	HN13	0.9°	4.5°
C11	C12	C15	C25	179.9°	180.0°
C11	C12	C15	H15	0.1°	0.1°
C12	C15	C25	H15	180.0°	179.9°
C12	C15	C25	C29	125.4°	0.3°
C12	C15	C25	C30	55.8°	180.0°
H12	C12	C15	C25	0.1°	0.1°
H12	C12	C15	H15	179.9°	180.0°
N13	C20	C16	C24	179.8°	179.9°
N13	C20	C16	H16	0.6°	0.0°
N13	C20	C24	C23	180.0°	179.8°
N13	C20	C24	H24	0.0°	0.0°
HN13	N13	C20	C16	137.7°	32.3°
HN13	N13	C20	C24	42.2°	147.7°
C15	C25	C29	C30	178.8°	179.7°
C15	C25	C29	C33	179.6°	180.0°
C15	C25	C29	H29	0.4°	0.1°
C15	C25	C30	C34	179.5°	180.0°
C15	C25	C30	H30	0.5°	0.1°
H15	C15	C25	C29	54.6°	179.7°
H15	C15	C25	C30	124.2°	0.1°
C16	C20	C24	C23	0.2°	0.3°
C16	C20	C24	H24	179.8°	179.9°
H16	C16	C20	C24	179.3°	180.0°
C17	C27	C31	H27	180.0°	180.0°
C27	C17	C28	C32	0.2°	0.2°
C27	C17	C28	H28	179.8°	179.8°
C17	C27	C31	C35	0.1°	0.1°
C17	C27	C31	H31	179.9°	180.0°
C28	C17	C27	C31	0.2°	0.2°
C28	C17	C27	H27	179.8°	179.8°
C17	C28	C32	H28	180.0°	179.9°
C17	C28	C32	C35	0.1°	0.1°
C17	C28	C32	H32	179.9°	180.0°
C26	C19	C23	C24	179.5°	180.0°
C26	C19	C23	H23	0.5°	0.0°
C19	C26	H26	H26A	120.0°	120.0°
C19	C26	H26	H26B	120.0°	120.0°
C19	C26	H26A	H26B	120.0°	120.0°
C19	C23	C24	C20	0.2°	0.3°
C19	C23	C24	H23	180.0°	179.9°
C19	C23	C24	H24	179.8°	180.0°
C23	C19	C26	H26	90.2°	97.6°
C23	C19	C26	H26A	29.8°	22.5°
C23	C19	C26	H26B	149.8°	142.4°
C20	C24	C23	H24	180.0°	179.8°
C20	C24	C23	H23	179.8°	179.7°
H23	C23	C24	H24	0.3°	0.1°
C25	C29	C33	H29	180.0°	179.9°
C29	C25	C30	C34	0.7°	0.4°
C29	C25	C30	H30	179.3°	179.7°
C25	C29	C33	C36	0.6°	0.0°
C25	C29	C33	H33	179.4°	180.0°
C30	C25	C29	C33	0.8°	0.3°
C30	C25	C29	H29	179.2°	179.7°
C25	C30	C34	H30	180.0°	179.9°
C25	C30	C34	C36	0.4°	0.1°
C25	C30	C34	H34	179.6°	180.0°
H26	C26	H26A	H26B	120.0°	120.0°
C27	C31	C35	H31	180.0°	179.9°
C27	C31	C35	C32	0.0°	0.4°
C27	C31	C35	H35	180.0°	180.0°
H27	C27	C31	C35	179.9°	179.9°
H27	C27	C31	H31	0.1°	0.0°
C28	C32	C35	C31	0.0°	0.4°
C28	C32	C35	H32	180.0°	179.9°
C28	C32	C35	H35	180.0°	180.0°
H28	C28	C32	C35	179.9°	180.0°
H28	C28	C32	H32	0.1°	0.1°
C29	C33	C36	H33	180.0°	180.0°
C29	C33	C36	C34	0.3°	0.3°
C29	C33	C36	H36	179.7°	180.0°
H29	C29	C33	C36	179.4°	179.9°
H29	C29	C33	H33	0.6°	0.1°
C30	C34	C36	C33	0.2°	0.3°
C30	C34	C36	H34	180.0°	179.9°
C30	C34	C36	H36	179.8°	180.0°
H30	C30	C34	C36	179.6°	180.0°
H30	C30	C34	H34	0.4°	0.1°
C31	C35	C32	H35	180.0°	179.6°
C31	C35	C32	H32	180.0°	179.7°
H31	C31	C35	C32	180.0°	179.7°
H31	C31	C35	H35	0.0°	0.0°
H32	C32	C35	H35	0.0°	0.1°
C33	C36	C34	H36	180.0°	179.7°
C33	C36	C34	H34	179.8°	179.7°
H33	C33	C36	C34	179.7°	179.7°
H33	C33	C36	H36	0.3°	0.0°
H34	C34	C36	H36	0.2°	0.1°

Definition date:	2010-11-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3PJ3