7XD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	N13	sing	1.46Å	1.46Å
C18	C17	sing	1.51Å	1.50Å
C27	C17	doub	1.38Å	1.39Å	Aromatic
C27	C24	sing	1.38Å	1.39Å	Aromatic
N13	C8	sing	1.35Å	1.35Å
C28	C31	doub	1.38Å	1.39Å	Aromatic
C28	C19	sing	1.39Å	1.39Å	Aromatic
C17	C14	sing	1.38Å	1.38Å	Aromatic
C8	N11	sing	1.35Å	1.36Å
C8	O15	doub	1.22Å	1.23Å
N11	C19	sing	1.40Å	1.41Å
C24	C22	doub	1.38Å	1.38Å	Aromatic
C31	C33	sing	1.38Å	1.39Å	Aromatic
C19	C29	doub	1.39Å	1.40Å	Aromatic
C14	C10	doub	1.39Å	1.39Å	Aromatic
C33	C32	doub	1.38Å	1.38Å	Aromatic
C22	C10	sing	1.39Å	1.39Å	Aromatic
C29	C32	sing	1.38Å	1.39Å	Aromatic
C10	C6	sing	1.48Å	1.49Å
C6	C21	doub	1.39Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.42Å	Aromatic
O16	C5	sing	1.36Å	1.38Å
C21	C23	sing	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.40Å	1.42Å	Aromatic
C23	C20	doub	1.38Å	1.38Å	Aromatic
C4	C20	sing	1.40Å	1.41Å	Aromatic
C4	C1	sing	1.48Å	1.47Å
N2	C1	sing	1.38Å	1.39Å	Aromatic
N2	C9	sing	1.37Å	1.37Å	Aromatic
C1	C3	doub	1.36Å	1.37Å	Aromatic
C9	C25	doub	1.39Å	1.39Å	Aromatic
C9	C7	sing	1.41Å	1.41Å	Aromatic
C25	C30	sing	1.38Å	1.38Å	Aromatic
C3	C7	sing	1.46Å	1.42Å	Aromatic
C7	C12	doub	1.39Å	1.38Å	Aromatic
C30	N26	doub	1.32Å	1.34Å	Aromatic
C12	N26	sing	1.32Å	1.34Å	Aromatic
C20	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C24	H4	sing	1.08Å	1.08Å
C28	H5	sing	1.08Å	1.08Å
N2	H6	sing	0.97Å	1.00Å
C3	H7	sing	1.08Å	1.08Å
N11	H8	sing	0.97Å	1.00Å
C12	H9	sing	1.08Å	1.08Å
N13	H10	sing	0.97Å	1.00Å
C14	H11	sing	1.08Å	1.08Å
O16	H12	sing	0.97Å	0.95Å
C18	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C23	H15	sing	1.08Å	1.08Å
C25	H16	sing	1.08Å	1.08Å
C27	H17	sing	1.08Å	1.08Å
C29	H18	sing	1.08Å	1.08Å
C30	H19	sing	1.08Å	1.08Å
C31	H20	sing	1.08Å	1.08Å
C32	H21	sing	1.08Å	1.08Å
C33	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N13	C18	C17	114.0°	109.5°
C18	N13	C8	120.8°	120.0°
C18	N13	H10	119.6°	120.0°
N13	C18	H13	108.3°	109.5°
N13	C18	H14	108.3°	109.5°
C18	C17	C27	120.9°	119.9°
C18	C17	C14	120.6°	120.0°
C17	C18	H13	108.3°	109.5°
C17	C18	H14	108.3°	109.4°
C17	C27	C24	120.7°	120.2°
C27	C17	C14	118.5°	120.2°
C17	C27	H17	119.7°	119.9°
C27	C24	C22	120.1°	120.2°
C27	C24	H4	119.9°	119.9°
C24	C27	H17	119.7°	119.9°
N13	C8	N11	114.8°	120.0°
N13	C8	O15	122.6°	120.0°
C8	N13	H10	119.6°	120.0°
C31	C28	C19	119.9°	119.9°
C28	C31	C33	120.4°	120.1°
C31	C28	H5	120.0°	120.1°
C28	C31	H20	119.8°	120.0°
C28	C19	N11	118.8°	120.0°
C28	C19	C29	119.6°	119.9°
C19	C28	H5	120.1°	120.0°
C17	C14	C10	121.7°	119.8°
C17	C14	H11	119.2°	120.0°
N11	C8	O15	122.6°	120.0°
C8	N11	C19	126.5°	120.0°
C8	N11	H8	116.8°	120.0°
N11	C19	C29	121.6°	120.1°
C19	N11	H8	116.8°	120.0°
C24	C22	C10	120.5°	119.8°
C24	C22	H3	119.7°	120.1°
C22	C24	H4	120.0°	119.9°
C31	C33	C32	119.9°	120.2°
C33	C31	H20	119.8°	119.9°
C31	C33	H22	120.0°	119.9°
C19	C29	C32	119.9°	119.9°
C19	C29	H18	120.1°	120.1°
C14	C10	C22	118.6°	119.8°
C14	C10	C6	120.0°	120.1°
C10	C14	H11	119.2°	120.1°
C33	C32	C29	120.3°	120.0°
C33	C32	H21	119.8°	120.0°
C32	C33	H22	120.1°	119.9°
C22	C10	C6	121.2°	120.1°
C10	C22	H3	119.8°	120.1°
C32	C29	H18	120.0°	120.0°
C29	C32	H21	119.9°	119.9°
C10	C6	C21	118.4°	120.1°
C10	C6	C5	122.8°	120.1°
C21	C6	C5	118.7°	119.9°
C6	C21	C23	121.4°	120.2°
C6	C21	H2	119.3°	119.9°
C6	C5	O16	120.1°	120.2°
C6	C5	C4	119.5°	119.6°
O16	C5	C4	120.3°	120.2°
C5	O16	H12	109.5°	113.9°
C21	C23	C20	120.4°	120.4°
C23	C21	H2	119.3°	119.8°
C21	C23	H15	119.8°	119.8°
C5	C4	C20	119.6°	119.8°
C5	C4	C1	122.5°	120.2°
C23	C20	C4	120.4°	120.2°
C23	C20	H1	119.8°	119.9°
C20	C23	H15	119.8°	119.8°
C20	C4	C1	117.9°	120.1°
C4	C20	H1	119.8°	119.9°
C4	C1	N2	122.8°	125.3°
C4	C1	C3	128.5°	125.2°
C1	N2	C9	108.9°	109.9°
N2	C1	C3	108.7°	109.5°
C1	N2	H6	125.5°	125.0°
N2	C9	C25	130.2°	134.4°
N2	C9	C7	107.9°	107.5°
C9	N2	H6	125.6°	125.1°
C1	C3	C7	107.9°	106.9°
C1	C3	H7	126.0°	126.6°
C25	C9	C7	122.0°	118.1°
C9	C25	C30	117.2°	118.9°
C9	C25	H16	121.4°	120.5°
C9	C7	C3	106.7°	106.2°
C9	C7	C12	114.2°	119.1°
C25	C30	N26	123.4°	121.6°
C30	C25	H16	121.4°	120.6°
C25	C30	H19	118.3°	119.2°
C3	C7	C12	139.1°	134.7°
C7	C3	H7	126.1°	126.5°
C7	C12	N26	125.8°	120.2°
C7	C12	H9	117.1°	119.9°
C30	N26	C12	117.3°	122.1°
N26	C30	H19	118.3°	119.2°
N26	C12	H9	117.1°	119.9°
H13	C18	H14	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	C18	C17	H13	120.7°	120.1°
N13	C18	C17	H14	120.7°	120.0°
N13	C18	C17	C27	135.5°	89.9°
C18	N13	C8	H10	180.0°	179.9°
N13	C18	C17	C14	45.3°	90.0°
C18	N13	C8	N11	172.1°	180.0°
C18	N13	C8	O15	10.0°	0.1°
N13	C18	H13	H14	118.0°	120.0°
C18	C17	C27	C14	179.2°	179.9°
C18	C17	C27	C24	179.9°	179.8°
C17	C18	N13	C8	112.8°	180.0°
C18	C17	C14	C10	179.7°	179.9°
C17	C18	N13	H10	67.3°	0.0°
C18	C17	C14	H11	0.3°	0.0°
C17	C18	H13	H14	117.9°	119.9°
C18	C17	C27	H17	0.1°	0.1°
C17	C27	C24	H17	180.0°	179.7°
C17	C27	C24	C22	0.6°	0.3°
C27	C17	C14	C10	1.1°	0.0°
C17	C27	C24	H4	179.4°	179.7°
C27	C17	C14	H11	178.9°	180.0°
C27	C17	C18	H13	14.8°	30.1°
C27	C17	C18	H14	103.8°	150.1°
C24	C27	C17	C14	0.7°	0.3°
C27	C24	C22	H4	180.0°	180.0°
C27	C24	C22	C10	1.0°	0.0°
C27	C24	C22	H3	179.0°	180.0°
N13	C8	N11	O15	177.9°	179.9°
N13	C8	N11	C19	176.1°	175.4°
N13	C8	N11	H8	3.9°	4.6°
C8	N13	C18	H13	126.6°	59.9°
C8	N13	C18	H14	7.9°	60.0°
C31	C28	C19	H5	180.0°	179.6°
C31	C28	C19	N11	178.9°	180.0°
C28	C31	C33	H20	180.0°	180.0°
C31	C28	C19	C29	0.5°	0.1°
C28	C31	C33	C32	0.1°	0.0°
C28	C31	C33	H22	179.9°	179.9°
C28	C19	N11	C8	129.2°	35.1°
C28	C19	N11	C29	178.3°	180.0°
C19	C28	C31	C33	0.4°	0.1°
C28	C19	C29	C32	0.4°	0.1°
C28	C19	N11	H8	50.8°	144.9°
C28	C19	C29	H18	179.6°	180.0°
C19	C28	C31	H20	179.6°	179.9°
C17	C14	C10	H11	180.0°	180.0°
C17	C14	C10	C22	1.4°	0.3°
C17	C14	C10	C6	176.0°	180.0°
C14	C17	C18	H13	166.0°	149.9°
C14	C17	C18	H14	75.3°	30.0°
C14	C17	C27	H17	179.3°	180.0°
C8	N11	C19	H8	180.0°	180.0°
C8	N11	C19	C29	52.4°	144.9°
N11	C8	N13	H10	7.9°	0.1°
O15	C8	N11	C19	6.0°	4.7°
O15	C8	N11	H8	174.0°	175.4°
O15	C8	N13	H10	170.1°	180.0°
N11	C19	C29	C32	178.7°	180.0°
N11	C19	C28	H5	1.1°	0.4°
N11	C19	C29	H18	1.2°	0.0°
C24	C22	C10	C14	1.4°	0.2°
C24	C22	C10	H3	180.0°	180.0°
C24	C22	C10	C6	175.9°	180.0°
C22	C24	C27	H17	179.3°	180.0°
C31	C33	C32	H22	180.0°	179.9°
C31	C33	C32	C29	0.1°	0.0°
C33	C31	C28	H5	179.6°	179.6°
C31	C33	C32	H21	179.9°	180.0°
C19	C29	C32	C33	0.1°	0.1°
C19	C29	C32	H18	180.0°	179.9°
C29	C19	C28	H5	179.4°	179.7°
C29	C19	N11	H8	127.5°	35.1°
C19	C29	C32	H21	180.0°	180.0°
C14	C10	C22	C6	174.6°	179.7°
C14	C10	C6	C21	43.8°	50.3°
C14	C10	C6	C5	139.9°	129.7°
C14	C10	C22	H3	178.6°	179.7°
C33	C32	C29	H21	180.0°	179.9°
C33	C32	C29	H18	179.9°	180.0°
C32	C33	C31	H20	179.9°	179.9°
C22	C10	C6	C21	130.7°	130.0°
C22	C10	C6	C5	45.6°	50.1°
C10	C22	C24	H4	179.0°	180.0°
C22	C10	C14	H11	178.6°	179.8°
C29	C32	C33	H22	179.9°	180.0°
C10	C6	C21	C5	176.5°	179.9°
C10	C6	C5	O16	2.5°	0.1°
C10	C6	C21	C23	179.2°	179.8°
C10	C6	C5	C4	177.7°	180.0°
C10	C6	C21	H2	0.8°	0.1°
C6	C10	C22	H3	4.0°	0.0°
C6	C10	C14	H11	3.9°	0.0°
C21	C6	C5	O16	178.8°	179.9°
C6	C21	C23	H2	180.0°	179.7°
C21	C6	C5	C4	1.4°	0.1°
C6	C21	C23	C20	3.4°	0.5°
C6	C21	C23	H15	176.6°	180.0°
C6	C5	O16	C4	179.8°	179.9°
C5	C6	C21	C23	2.7°	0.3°
C6	C5	C4	C20	0.6°	0.0°
C6	C5	C4	C1	178.9°	179.8°
C5	C6	C21	H2	177.2°	180.0°
C6	C5	O16	H12	180.0°	90.1°
O16	C5	C4	C20	179.6°	179.9°
O16	C5	C4	C1	1.0°	0.4°
C21	C23	C20	H15	180.0°	179.5°
C21	C23	C20	C4	2.6°	0.5°
C21	C23	C20	H1	177.4°	179.4°
C5	C4	C20	C23	1.2°	0.2°
C5	C4	C20	C1	179.5°	179.7°
C5	C4	C1	N2	11.4°	140.0°
C5	C4	C1	C3	167.8°	39.7°
C5	C4	C20	H1	178.8°	179.7°
C4	C5	O16	H12	0.2°	90.0°
C23	C20	C4	H1	180.0°	179.9°
C23	C20	C4	C1	178.3°	180.0°
C20	C23	C21	H2	176.6°	179.8°
C20	C4	C1	N2	169.1°	40.2°
C20	C4	C1	C3	11.7°	140.0°
C4	C20	C23	H15	177.4°	180.0°
C4	C1	N2	C3	179.3°	179.8°
C4	C1	N2	C9	179.0°	179.9°
C4	C1	C3	C7	178.6°	180.0°
C1	C4	C20	H1	1.7°	0.1°
C4	C1	N2	H6	1.0°	0.1°
C4	C1	C3	H7	1.4°	0.1°
C1	N2	C9	H6	180.0°	179.8°
C1	N2	C9	C25	179.2°	180.0°
C1	N2	C9	C7	0.1°	0.1°
N2	C1	C3	C7	0.7°	0.2°
N2	C1	C3	H7	179.3°	179.7°
C9	N2	C1	C3	0.4°	0.1°
N2	C9	C25	C7	179.2°	179.9°
N2	C9	C25	C30	179.9°	180.0°
N2	C9	C7	C3	0.5°	0.2°
N2	C9	C7	C12	178.9°	180.0°
N2	C9	C25	H16	0.1°	0.0°
C1	C3	C7	C9	0.7°	0.2°
C1	C3	C7	H7	180.0°	179.9°
C1	C3	C7	C12	178.5°	180.0°
C3	C1	N2	H6	179.6°	179.7°
C9	C25	C30	H16	180.0°	180.0°
C25	C9	C7	C3	178.9°	179.9°
C25	C9	C7	C12	0.5°	0.1°
C9	C25	C30	N26	0.2°	0.4°
C25	C9	N2	H6	0.8°	0.2°
C9	C25	C30	H19	179.8°	180.0°
C7	C9	C25	C30	0.9°	0.1°
C9	C7	C3	C12	177.8°	179.8°
C9	C7	C12	N26	3.3°	0.3°
C7	C9	N2	H6	179.9°	179.9°
C9	C7	C3	H7	179.3°	179.7°
C9	C7	C12	H9	176.7°	179.7°
C7	C9	C25	H16	179.1°	179.9°
C25	C30	N26	H19	180.0°	179.6°
C25	C30	N26	C12	2.8°	0.7°
C3	C7	C12	N26	179.0°	180.0°
C3	C7	C12	H9	1.0°	0.0°
C7	C12	N26	C30	4.5°	0.6°
C7	C12	N26	H9	180.0°	180.0°
C12	C7	C3	H7	1.5°	0.1°
C30	N26	C12	H9	175.5°	179.4°
N26	C30	C25	H16	179.8°	179.7°
C12	N26	C30	H19	177.2°	179.7°
H1	C20	C23	H15	2.6°	0.1°
H2	C21	C23	H15	3.4°	0.3°
H3	C22	C24	H4	1.0°	0.0°
H4	C24	C27	H17	0.7°	0.0°
H5	C28	C31	H20	0.4°	0.3°
H10	N13	C18	H13	53.4°	120.0°
H10	N13	C18	H14	172.1°	120.0°
H16	C25	C30	H19	0.2°	0.1°
H18	C29	C32	H21	0.1°	0.1°
H20	C31	C33	H22	0.1°	0.0°
H21	C32	C33	H22	0.1°	0.1°

Release date:	2017-06-21
Definition date:	2016-12-09
Last modified:	2017-06-16
Release status:	REL
Processing site:	RCSB
Derived from:	5PAB