6P6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C14	doub	1.21Å	1.22Å
C15	C14	sing	1.51Å	1.51Å
C14	C10	sing	1.47Å	1.50Å
C9	C10	doub	1.41Å	1.40Å	Aromatic
C9	C8	sing	1.36Å	1.36Å	Aromatic
C10	C11	sing	1.39Å	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
C2	C1	doub	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.39Å	1.39Å	Aromatic
N3	C6	sing	1.38Å	1.36Å
N3	C3	sing	1.40Å	1.41Å
C6	N2	doub	1.33Å	1.34Å	Aromatic
N1	C13	doub	1.31Å	1.33Å	Aromatic
C1	C16	sing	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
N2	C13	sing	1.32Å	1.34Å	Aromatic
C16	C5	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	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
C4	H12	sing	1.08Å	1.08Å
C5	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C14	C15	120.3°	120.0°
O1	C14	C10	121.2°	120.0°
C15	C14	C10	118.5°	120.0°
C14	C15	H7	109.5°	109.5°
C14	C15	H8	109.4°	109.5°
C14	C15	H9	109.5°	109.5°
C14	C10	C9	115.7°	119.7°
C14	C10	C11	124.9°	119.8°
C10	C9	C8	121.0°	120.7°
C9	C10	C11	119.3°	120.5°
C10	C9	H4	119.5°	119.7°
C9	C8	C7	121.2°	119.9°
C9	C8	H3	119.4°	120.1°
C8	C9	H4	119.5°	119.6°
C10	C11	C12	121.0°	119.3°
C10	C11	H5	119.5°	120.3°
C8	C7	C12	118.2°	120.0°
C8	C7	C6	126.1°	121.9°
C7	C8	H3	119.4°	120.0°
C11	C12	C7	119.3°	119.5°
C11	C12	N1	118.3°	121.8°
C12	C11	H5	119.5°	120.3°
C12	C7	C6	115.7°	118.1°
C7	C12	N1	122.4°	118.7°
C7	C6	N3	119.8°	120.9°
C7	C6	N2	121.3°	118.2°
C12	N1	C13	115.0°	120.5°
C1	C2	C3	119.9°	119.9°
C2	C1	C16	120.4°	120.1°
C2	C1	H1	119.8°	120.0°
C1	C2	H2	120.0°	120.0°
C2	C3	N3	119.9°	120.0°
C2	C3	C4	119.6°	119.9°
C3	C2	H2	120.0°	120.1°
C6	N3	C3	129.7°	120.0°
N3	C6	N2	118.8°	120.8°
C6	N3	H11	115.2°	120.0°
N3	C3	C4	120.5°	120.1°
C3	N3	H11	115.2°	120.0°
C6	N2	C13	116.7°	121.5°
N1	C13	N2	128.8°	123.0°
N1	C13	H6	115.6°	118.5°
C1	C16	C5	119.8°	120.1°
C16	C1	H1	119.8°	119.9°
C1	C16	H10	120.1°	120.0°
C3	C4	C5	119.9°	119.9°
C3	C4	H12	120.0°	120.0°
N2	C13	H6	115.6°	118.5°
C16	C5	C4	120.4°	120.1°
C5	C16	H10	120.1°	119.9°
C16	C5	H13	119.8°	119.9°
C5	C4	H12	120.0°	120.1°
C4	C5	H13	119.8°	120.0°
H7	C15	H8	109.4°	109.4°
H7	C15	H9	109.5°	109.5°
H8	C15	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C14	C15	C10	179.4°	180.0°
O1	C14	C10	C9	7.3°	180.0°
O1	C14	C10	C11	173.7°	0.0°
O1	C14	C15	H7	0.0°	120.0°
O1	C14	C15	H8	120.0°	0.0°
O1	C14	C15	H9	120.0°	120.0°
C15	C14	C10	C9	172.0°	0.0°
C15	C14	C10	C11	7.0°	180.0°
C14	C15	H7	H8	120.0°	120.0°
C14	C15	H7	H9	120.0°	120.1°
C14	C15	H8	H9	120.0°	120.1°
C14	C10	C9	C11	179.1°	180.0°
C14	C10	C9	C8	179.6°	180.0°
C14	C10	C11	C12	180.0°	180.0°
C14	C10	C9	H4	0.4°	0.0°
C14	C10	C11	H5	0.0°	0.0°
C10	C14	C15	H7	179.4°	60.1°
C10	C14	C15	H8	60.6°	180.0°
C10	C14	C15	H9	59.4°	60.0°
C10	C9	C8	H4	180.0°	180.0°
C10	C9	C8	C7	1.2°	0.0°
C9	C10	C11	C12	1.1°	0.0°
C10	C9	C8	H3	178.8°	179.9°
C9	C10	C11	H5	179.0°	180.0°
C8	C9	C10	C11	1.3°	0.0°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	C7	C12	0.8°	0.0°
C9	C8	C7	C6	179.8°	179.7°
C10	C11	C12	H5	180.0°	180.0°
C10	C11	C12	C7	0.7°	0.0°
C10	C11	C12	N1	179.2°	179.7°
C11	C10	C9	H4	178.7°	180.0°
C8	C7	C12	C11	0.5°	0.0°
C8	C7	C12	C6	179.1°	179.7°
C8	C7	C12	N1	179.4°	179.7°
C8	C7	C6	N3	0.9°	0.3°
C8	C7	C6	N2	179.1°	179.7°
C7	C8	C9	H4	178.8°	180.0°
C11	C12	C7	N1	179.9°	179.8°
C11	C12	C7	C6	179.7°	179.8°
C11	C12	N1	C13	179.7°	179.8°
C12	C7	C6	N3	180.0°	180.0°
C12	C7	C6	N2	0.0°	0.0°
C7	C12	N1	C13	0.2°	0.0°
C12	C7	C8	H3	179.2°	180.0°
C7	C12	C11	H5	179.3°	180.0°
C6	C7	C12	N1	0.2°	0.0°
C7	C6	N3	N2	180.0°	180.0°
C7	C6	N3	C3	171.0°	174.4°
C7	C6	N2	C13	0.2°	0.0°
C6	C7	C8	H3	0.2°	0.3°
C7	C6	N3	H11	9.0°	5.5°
C12	N1	C13	N2	0.0°	0.0°
N1	C12	C11	H5	0.7°	0.3°
C12	N1	C13	H6	180.0°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	N3	179.1°	180.0°
C2	C1	C16	H1	180.0°	179.7°
C1	C2	C3	C4	0.8°	0.0°
C2	C1	C16	C5	0.5°	0.3°
C2	C1	C16	H10	179.5°	179.7°
C2	C3	N3	C6	108.0°	32.8°
C2	C3	N3	C4	178.4°	180.0°
C3	C2	C1	C16	0.7°	0.0°
C2	C3	C4	C5	0.7°	0.3°
C3	C2	C1	H1	179.4°	179.7°
C2	C3	N3	H11	72.0°	147.1°
C2	C3	C4	H12	179.3°	179.9°
C6	N3	C3	H11	180.0°	179.9°
C6	N3	C3	C4	73.6°	147.2°
N3	C6	N2	C13	179.8°	180.0°
C3	N3	C6	N2	9.0°	5.6°
N3	C3	C4	C5	179.1°	179.7°
N3	C3	C2	H2	0.9°	0.1°
N3	C3	C4	H12	0.9°	0.1°
C6	N2	C13	N1	0.2°	0.0°
C6	N2	C13	H6	179.8°	179.9°
N2	C6	N3	H11	170.9°	174.5°
N1	C13	N2	H6	180.0°	179.9°
C1	C16	C5	H10	180.0°	180.0°
C1	C16	C5	C4	0.4°	0.6°
C16	C1	C2	H2	179.4°	180.0°
C1	C16	C5	H13	179.6°	180.0°
C3	C4	C5	C16	0.5°	0.6°
C3	C4	C5	H12	180.0°	179.7°
C4	C3	C2	H2	179.2°	180.0°
C4	C3	N3	H11	106.4°	32.9°
C3	C4	C5	H13	179.5°	179.9°
C16	C5	C4	H13	180.0°	179.4°
C5	C16	C1	H1	179.6°	180.0°
C16	C5	C4	H12	179.4°	179.7°
C4	C5	C16	H10	179.6°	179.4°
H1	C1	C2	H2	0.6°	0.3°
H1	C1	C16	H10	0.4°	0.0°
H3	C8	C9	H4	1.2°	0.0°
H7	C15	H8	H9	120.0°	119.9°
H10	C16	C5	H13	0.4°	0.1°
H12	C4	C5	H13	0.5°	0.4°

Release date:	2016-08-10
Definition date:	2016-05-31
Last modified:	2016-08-05
Release status:	REL
Processing site:	EBI
Derived from:	5L6O