3XL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C17	trip	1.14Å	1.17Å
C17	C9	sing	1.43Å	1.30Å
C9	C10	doub	1.39Å	1.41Å	Aromatic
C9	N3	sing	1.33Å	1.35Å	Aromatic
O1	C12	sing	1.36Å	1.36Å
C10	C7	sing	1.39Å	1.40Å	Aromatic
N3	C8	doub	1.31Å	1.34Å	Aromatic
C7	C6	doub	1.41Å	1.39Å	Aromatic
C7	C4	sing	1.47Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C8	C6	sing	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.40Å	1.40Å	Aromatic
C6	N2	sing	1.38Å	1.36Å	Aromatic
C5	C4	doub	1.39Å	1.40Å	Aromatic
C5	C1	sing	1.39Å	1.42Å	Aromatic
C4	C3	sing	1.41Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C11	C1	sing	1.48Å	1.50Å
C11	C16	doub	1.39Å	1.41Å	Aromatic
C1	C2	doub	1.40Å	1.40Å	Aromatic
N2	C3	sing	1.38Å	1.36Å	Aromatic
C3	N1	doub	1.33Å	1.34Å	Aromatic
C2	N1	sing	1.31Å	1.34Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
N2	H2	sing	0.97Å	1.00Å
C2	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	C17	C9	173.8°	180.0°
C17	C9	C10	122.9°	119.6°
C17	C9	N3	116.8°	119.7°
C10	C9	N3	120.3°	120.7°
C9	C10	C7	117.8°	118.7°
C9	C10	H4	121.1°	120.7°
C9	N3	C8	122.2°	122.3°
O1	C12	C13	117.6°	120.1°
O1	C12	C11	121.5°	120.1°
C12	O1	H10	109.5°	114.0°
C10	C7	C6	120.0°	118.9°
C10	C7	C4	131.7°	134.7°
C7	C10	H4	121.1°	120.6°
N3	C8	C6	120.1°	120.7°
N3	C8	H1	119.9°	119.6°
C6	C7	C4	108.3°	106.4°
C7	C6	C8	119.6°	118.6°
C7	C6	N2	107.4°	108.3°
C7	C4	C5	134.1°	133.9°
C7	C4	C3	106.2°	106.5°
C12	C13	C14	120.2°	120.1°
C13	C12	C11	120.8°	119.8°
C12	C13	H9	119.9°	120.0°
C13	C14	C15	119.7°	120.3°
C13	C14	H8	120.2°	119.9°
C14	C13	H9	119.9°	119.9°
C8	C6	N2	133.0°	133.1°
C6	C8	H1	120.0°	119.6°
C12	C11	C1	120.7°	120.2°
C12	C11	C16	118.2°	119.7°
C6	N2	C3	108.6°	110.6°
C6	N2	H2	125.7°	124.7°
C4	C5	C1	117.4°	118.2°
C5	C4	C3	119.7°	119.6°
C4	C5	H5	121.3°	120.9°
C5	C1	C11	125.0°	120.5°
C5	C1	C2	118.6°	119.0°
C1	C5	H5	121.3°	120.9°
C4	C3	N2	109.5°	108.2°
C4	C3	N1	122.9°	119.9°
C14	C15	C16	120.3°	120.2°
C14	C15	H7	119.8°	119.9°
C15	C14	H8	120.2°	119.8°
C1	C11	C16	121.0°	120.1°
C11	C1	C2	116.3°	120.4°
C11	C16	C15	120.9°	119.9°
C11	C16	H6	119.6°	120.1°
C1	C2	N1	122.5°	121.3°
C1	C2	H3	118.8°	119.4°
N2	C3	N1	127.6°	131.9°
C3	N2	H2	125.7°	124.7°
C3	N1	C2	118.9°	122.1°
N1	C2	H3	118.8°	119.3°
C15	C16	H6	119.6°	120.0°
C16	C15	H7	119.9°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C17	C9	C10	172.3°	126.4°
N4	C17	C9	N3	5.6°	53.8°
C17	C9	C10	N3	177.8°	179.8°
C17	C9	C10	C7	179.1°	179.8°
C17	C9	N3	C8	180.0°	180.0°
C17	C9	C10	H4	0.9°	0.0°
C9	C10	C7	H4	180.0°	179.8°
C10	C9	N3	C8	2.0°	0.2°
C9	C10	C7	C6	0.0°	0.5°
C9	C10	C7	C4	179.9°	179.9°
N3	C9	C10	C7	1.3°	0.5°
C9	N3	C8	C6	1.3°	0.1°
C9	N3	C8	H1	178.6°	180.0°
N3	C9	C10	H4	178.7°	179.7°
O1	C12	C13	C11	177.8°	179.5°
O1	C12	C13	C14	179.5°	180.0°
O1	C12	C11	C1	3.7°	0.3°
O1	C12	C11	C16	179.6°	180.0°
O1	C12	C13	H9	0.5°	0.4°
C10	C7	C6	C4	179.9°	179.7°
C10	C7	C6	C8	0.7°	0.3°
C10	C7	C6	N2	179.7°	179.8°
C10	C7	C4	C5	0.1°	0.0°
C10	C7	C4	C3	179.5°	179.7°
N3	C8	C6	C7	0.0°	0.0°
N3	C8	C6	H1	180.0°	180.0°
N3	C8	C6	N2	178.7°	179.9°
C7	C6	C8	N2	178.7°	180.0°
C6	C7	C4	C5	179.8°	179.7°
C6	C7	C4	C3	0.6°	0.0°
C7	C6	N2	C3	0.1°	0.1°
C7	C6	C8	H1	180.0°	180.0°
C7	C6	N2	H2	179.9°	180.0°
C6	C7	C10	H4	180.0°	179.7°
C4	C7	C6	C8	179.4°	180.0°
C4	C7	C6	N2	0.4°	0.0°
C7	C4	C5	C3	179.6°	179.7°
C7	C4	C5	C1	179.9°	179.8°
C7	C4	C3	N2	0.5°	0.0°
C7	C4	C3	N1	179.6°	180.0°
C4	C7	C10	H4	0.1°	0.1°
C7	C4	C5	H5	0.1°	0.1°
C12	C13	C14	H9	180.0°	179.5°
C12	C13	C14	C15	0.2°	0.3°
C13	C12	C11	C1	178.5°	179.8°
C13	C12	C11	C16	2.7°	0.5°
C12	C13	C14	H8	179.8°	179.8°
C13	C12	O1	H10	180.0°	89.9°
C14	C13	C12	C11	1.7°	0.5°
C13	C14	C15	H8	180.0°	179.9°
C13	C14	C15	C16	0.1°	0.0°
C13	C14	C15	H7	179.9°	180.0°
C8	C6	N2	C3	178.9°	180.0°
C8	C6	N2	H2	1.1°	0.0°
C12	C11	C1	C5	28.0°	129.7°
C12	C11	C1	C16	175.7°	179.7°
C12	C11	C1	C2	148.6°	50.8°
C12	C11	C16	C15	2.3°	0.3°
C12	C11	C16	H6	177.7°	179.8°
C11	C12	C13	H9	178.3°	179.9°
C11	C12	O1	H10	2.2°	90.5°
C6	N2	C3	C4	0.2°	0.0°
C6	N2	C3	H2	180.0°	180.0°
C6	N2	C3	N1	179.9°	180.0°
N2	C6	C8	H1	1.3°	0.0°
C4	C5	C1	H5	180.0°	179.9°
C4	C5	C1	C11	177.7°	180.0°
C4	C5	C1	C2	1.2°	0.5°
C5	C4	C3	N2	179.8°	179.8°
C5	C4	C3	N1	0.0°	0.2°
C1	C5	C4	C3	0.5°	0.5°
C5	C1	C11	C2	176.5°	179.5°
C5	C1	C11	C16	156.3°	50.0°
C5	C1	C2	N1	1.4°	0.3°
C5	C1	C2	H3	178.6°	179.8°
C4	C3	N2	N1	179.9°	180.0°
C4	C3	N1	C2	0.1°	0.0°
C4	C3	N2	H2	179.8°	180.0°
C3	C4	C5	H5	179.4°	179.6°
C14	C15	C16	C11	1.0°	0.0°
C14	C15	C16	H7	180.0°	180.0°
C14	C15	C16	H6	179.1°	180.0°
C15	C14	C13	H9	179.7°	179.8°
C11	C1	C2	N1	178.1°	179.8°
C1	C11	C16	C15	178.2°	180.0°
C11	C1	C2	H3	1.9°	0.3°
C11	C1	C5	H5	2.3°	0.1°
C1	C11	C16	H6	1.8°	0.1°
C16	C11	C1	C2	27.2°	129.5°
C11	C16	C15	H6	180.0°	179.9°
C11	C16	C15	H7	179.0°	180.0°
C1	C2	N1	C3	0.8°	0.1°
C1	C2	N1	H3	180.0°	179.9°
C2	C1	C5	H5	178.8°	179.6°
N2	C3	N1	C2	179.9°	180.0°
N1	C3	N2	H2	0.1°	0.0°
C3	N1	C2	H3	179.2°	180.0°
C16	C15	C14	H8	179.9°	179.9°
H6	C16	C15	H7	0.9°	0.1°
H7	C15	C14	H8	0.1°	0.1°
H8	C14	C13	H9	0.3°	0.3°

Release date:	2015-06-03
Definition date:	2014-12-05
Last modified:	2015-05-29
Release status:	REL
Processing site:	RCSB
Derived from:	4RVL