6P8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	sing	1.51Å	1.51Å
O1	C14	doub	1.21Å	1.23Å
C14	N3	sing	1.35Å	1.36Å
N3	C10	sing	1.40Å	1.42Å
C9	C10	doub	1.40Å	1.40Å	Aromatic
C9	C8	sing	1.36Å	1.36Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.40Å	1.42Å	Aromatic
C11	C12	doub	1.40Å	1.41Å	Aromatic
C7	C12	sing	1.42Å	1.42Å	Aromatic
C7	C6	sing	1.42Å	1.45Å	Aromatic
C12	N1	sing	1.34Å	1.37Å	Aromatic
N4	C6	sing	1.38Å	1.36Å
N4	C3	sing	1.40Å	1.41Å
C6	N2	doub	1.33Å	1.34Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
N1	C13	doub	1.31Å	1.33Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
N2	C13	sing	1.32Å	1.34Å	Aromatic
C5	C16	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C16	C1	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.08Å	1.08Å
N3	H11	sing	0.97Å	1.00Å
N4	H12	sing	0.97Å	1.00Å
C4	H13	sing	1.08Å	1.08Å
C5	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C14	O1	120.8°	120.0°
C15	C14	N3	114.4°	120.0°
C14	C15	H7	109.5°	109.4°
C14	C15	H8	109.4°	109.5°
C14	C15	H9	109.5°	109.4°
O1	C14	N3	124.8°	120.0°
C14	N3	C10	130.1°	120.0°
C14	N3	H11	114.9°	120.0°
N3	C10	C9	124.3°	119.6°
N3	C10	C11	115.8°	119.6°
C10	N3	H11	115.0°	120.0°
C10	C9	C8	121.1°	120.8°
C9	C10	C11	119.5°	120.7°
C10	C9	H4	119.5°	119.6°
C9	C8	C7	120.8°	119.8°
C9	C8	H3	119.6°	120.1°
C8	C9	H4	119.5°	119.6°
C10	C11	C12	120.9°	119.4°
C10	C11	H5	119.5°	120.3°
C8	C7	C12	118.2°	119.9°
C8	C7	C6	126.4°	122.0°
C7	C8	H3	119.6°	120.1°
C11	C12	C7	119.4°	119.4°
C11	C12	N1	118.2°	121.8°
C12	C11	H5	119.6°	120.3°
C12	C7	C6	115.5°	118.1°
C7	C12	N1	122.5°	118.7°
C7	C6	N4	120.2°	120.9°
C7	C6	N2	121.3°	118.2°
C12	N1	C13	115.1°	120.4°
C6	N4	C3	127.4°	120.0°
N4	C6	N2	118.5°	120.9°
C6	N4	H12	116.3°	120.0°
N4	C3	C4	120.9°	120.1°
N4	C3	C2	119.6°	120.1°
C3	N4	H12	116.3°	120.0°
C6	N2	C13	116.7°	121.5°
C3	C4	C5	119.9°	119.9°
C4	C3	C2	119.5°	119.8°
C3	C4	H13	120.1°	120.0°
C4	C5	C16	120.4°	120.1°
C5	C4	H13	120.0°	120.0°
C4	C5	H14	119.8°	119.9°
N1	C13	N2	128.9°	123.0°
N1	C13	H6	115.5°	118.6°
C3	C2	C1	120.0°	119.9°
C3	C2	H2	120.0°	120.0°
N2	C13	H6	115.6°	118.5°
C5	C16	C1	119.8°	120.1°
C5	C16	H10	120.1°	120.0°
C16	C5	H14	119.8°	120.0°
C2	C1	C16	120.4°	120.1°
C2	C1	H1	119.8°	120.0°
C1	C2	H2	120.0°	120.0°
C16	C1	H1	119.8°	119.9°
C1	C16	H10	120.1°	119.9°
H7	C15	H8	109.5°	109.6°
H7	C15	H9	109.4°	109.5°
H8	C15	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C14	O1	N3	178.7°	179.9°
C15	C14	N3	C10	174.1°	174.8°
C14	C15	H7	H8	120.0°	120.0°
C14	C15	H7	H9	120.0°	119.9°
C14	C15	H8	H9	120.0°	119.9°
C15	C14	N3	H11	5.9°	5.3°
O1	C14	N3	C10	7.1°	5.1°
O1	C14	C15	H7	0.0°	180.0°
O1	C14	C15	H8	120.0°	59.9°
O1	C14	C15	H9	120.0°	60.1°
O1	C14	N3	H11	172.9°	174.8°
C14	N3	C10	H11	180.0°	179.9°
C14	N3	C10	C9	12.2°	33.5°
C14	N3	C10	C11	176.2°	146.5°
N3	C14	C15	H7	178.9°	0.1°
N3	C14	C15	H8	58.9°	120.0°
N3	C14	C15	H9	61.2°	120.0°
N3	C10	C9	C11	171.3°	180.0°
N3	C10	C9	C8	176.5°	180.0°
N3	C10	C11	C12	176.9°	180.0°
N3	C10	C9	H4	3.5°	0.0°
N3	C10	C11	H5	3.1°	0.1°
C10	C9	C8	H4	180.0°	180.0°
C10	C9	C8	C7	3.3°	0.0°
C9	C10	C11	C12	4.8°	0.0°
C10	C9	C8	H3	176.7°	180.0°
C9	C10	C11	H5	175.2°	180.0°
C9	C10	N3	H11	167.8°	146.6°
C8	C9	C10	C11	5.2°	0.0°
C9	C8	C7	H3	180.0°	179.9°
C9	C8	C7	C12	1.1°	0.0°
C9	C8	C7	C6	180.0°	179.8°
C10	C11	C12	H5	180.0°	180.0°
C10	C11	C12	C7	2.7°	0.0°
C10	C11	C12	N1	177.7°	179.7°
C11	C10	C9	H4	174.8°	180.0°
C11	C10	N3	H11	3.8°	33.4°
C8	C7	C12	C11	0.7°	0.0°
C8	C7	C12	C6	179.1°	179.8°
C8	C7	C12	N1	179.7°	179.7°
C8	C7	C6	N4	1.7°	0.2°
C8	C7	C6	N2	179.5°	179.7°
C7	C8	C9	H4	176.7°	180.0°
C11	C12	C7	N1	179.6°	179.7°
C11	C12	C7	C6	179.8°	179.8°
C11	C12	N1	C13	179.5°	179.7°
C12	C7	C6	N4	179.3°	180.0°
C12	C7	C6	N2	0.6°	0.1°
C7	C12	N1	C13	0.1°	0.0°
C12	C7	C8	H3	178.9°	179.9°
C7	C12	C11	H5	177.4°	179.9°
C6	C7	C12	N1	0.6°	0.1°
C7	C6	N4	N2	178.8°	179.9°
C7	C6	N4	C3	166.3°	174.3°
C7	C6	N2	C13	0.2°	0.1°
C6	C7	C8	H3	0.0°	0.3°
C7	C6	N4	H12	13.7°	5.8°
C12	N1	C13	N2	1.1°	0.0°
N1	C12	C11	H5	2.2°	0.3°
C12	N1	C13	H6	178.9°	180.0°
C6	N4	C3	H12	180.0°	180.0°
C6	N4	C3	C4	109.0°	146.8°
C6	N4	C3	C2	72.9°	33.1°
N4	C6	N2	C13	178.5°	180.0°
C3	N4	C6	N2	15.0°	5.6°
N4	C3	C4	C2	178.1°	179.9°
N4	C3	C4	C5	179.4°	179.7°
N4	C3	C2	C1	179.0°	180.0°
N4	C3	C2	H2	0.9°	0.1°
N4	C3	C4	H13	0.5°	0.1°
C6	N2	C13	N1	1.1°	0.0°
C6	N2	C13	H6	178.9°	179.9°
N2	C6	N4	H12	165.0°	174.4°
C3	C4	C5	H13	180.0°	179.8°
C3	C4	C5	C16	1.8°	0.3°
C4	C3	C2	C1	0.9°	0.1°
C4	C3	C2	H2	179.1°	180.0°
C4	C3	N4	H12	71.0°	33.2°
C3	C4	C5	H14	178.2°	180.0°
C5	C4	C3	C2	1.3°	0.2°
C4	C5	C16	H14	180.0°	179.8°
C4	C5	C16	C1	1.8°	0.0°
C4	C5	C16	H10	178.1°	180.0°
N1	C13	N2	H6	180.0°	180.0°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C16	1.0°	0.3°
C3	C2	C1	H1	179.0°	180.0°
C2	C3	N4	H12	107.1°	146.9°
C2	C3	C4	H13	178.7°	180.0°
C5	C16	C1	C2	1.4°	0.3°
C5	C16	C1	H10	180.0°	180.0°
C5	C16	C1	H1	178.6°	180.0°
C16	C5	C4	H13	178.2°	179.9°
C2	C1	C16	H1	180.0°	179.6°
C2	C1	C16	H10	178.6°	179.7°
C16	C1	C2	H2	179.0°	179.7°
C1	C16	C5	H14	178.2°	179.8°
H1	C1	C2	H2	1.0°	0.1°
H1	C1	C16	H10	1.4°	0.1°
H3	C8	C9	H4	3.3°	0.1°
H7	C15	H8	H9	120.0°	120.1°
H10	C16	C5	H14	1.9°	0.2°
H13	C4	C5	H14	1.8°	0.2°

Release date:	2016-08-10
Definition date:	2016-05-31
Last modified:	2016-08-05
Release status:	REL
Processing site:	EBI
Derived from:	5L6P