5G8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	N14	doub	1.31Å	1.33Å	Aromatic
C13	N12	sing	1.35Å	1.34Å	Aromatic
N14	C15	sing	1.34Å	1.33Å	Aromatic
N12	C11	sing	1.46Å	1.49Å
N12	C16	sing	1.37Å	1.33Å	Aromatic
C15	C16	doub	1.35Å	1.33Å	Aromatic
C11	C10	sing	1.53Å	1.54Å
C10	C9	sing	1.53Å	1.53Å
CL4	C4	sing	1.74Å	1.72Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.40Å	Aromatic
C6	C1	sing	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.53Å	1.54Å
C8	C7	sing	1.53Å	1.54Å
C7	O1	sing	1.43Å	1.45Å
C1	O1	sing	1.36Å	1.37Å
C1	C2	doub	1.39Å	1.41Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C2	CL2	sing	1.74Å	1.79Å
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C13	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N14	C13	N12	108.2°	108.7°
C13	N14	C15	107.7°	109.2°
N14	C13	H16	125.9°	125.7°
C13	N12	C11	123.0°	126.4°
C13	N12	C16	107.9°	107.2°
N12	C13	H16	125.9°	125.6°
N14	C15	C16	108.3°	108.0°
N14	C15	H15	125.8°	125.9°
C11	N12	C16	129.1°	126.4°
N12	C11	C10	113.5°	109.5°
N12	C11	H12	108.4°	109.5°
N12	C11	H13	108.5°	109.5°
N12	C16	C15	107.9°	106.8°
N12	C16	H14	126.1°	126.6°
C15	C16	H14	126.1°	126.6°
C16	C15	H15	125.8°	126.0°
C11	C10	C9	109.4°	109.5°
C11	C10	H10	109.5°	109.5°
C11	C10	H11	109.5°	109.5°
C10	C11	H12	108.5°	109.5°
C10	C11	H13	108.4°	109.5°
C10	C9	C8	111.8°	109.5°
C10	C9	H8	108.9°	109.4°
C10	C9	H9	108.9°	109.5°
C9	C10	H10	109.5°	109.5°
C9	C10	H11	109.5°	109.5°
CL4	C4	C5	120.5°	119.9°
CL4	C4	C3	119.1°	119.9°
C6	C5	C4	119.8°	120.1°
C5	C6	C1	119.7°	119.9°
C6	C5	H2	120.1°	120.0°
C5	C6	H3	120.2°	120.0°
C5	C4	C3	120.4°	120.1°
C4	C5	H2	120.1°	120.0°
C6	C1	O1	121.3°	120.0°
C6	C1	C2	120.3°	119.9°
C1	C6	H3	120.1°	120.0°
C4	C3	C2	120.3°	120.0°
C4	C3	H1	119.9°	120.0°
C9	C8	C7	109.2°	109.4°
C9	C8	H6	109.5°	109.4°
C9	C8	H7	109.5°	109.4°
C8	C9	H8	108.9°	109.5°
C8	C9	H9	108.9°	109.5°
C8	C7	O1	111.8°	109.5°
C8	C7	H4	108.9°	109.5°
C8	C7	H5	108.9°	109.5°
C7	C8	H6	109.6°	109.5°
C7	C8	H7	109.5°	109.5°
C7	O1	C1	117.3°	117.1°
O1	C7	H4	108.9°	109.4°
O1	C7	H5	108.9°	109.5°
O1	C1	C2	118.2°	120.1°
C1	C2	C3	119.4°	119.9°
C1	C2	CL2	123.6°	120.0°
C3	C2	CL2	116.8°	120.0°
C2	C3	H1	119.9°	120.0°
H4	C7	H5	109.5°	109.4°
H6	C8	H7	109.5°	109.5°
H8	C9	H9	109.4°	109.4°
H10	C10	H11	109.5°	109.4°
H12	C11	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N14	C13	N12	H16	180.0°	179.6°
N14	C13	N12	C11	180.0°	179.8°
N14	C13	N12	C16	0.8°	0.5°
C13	N14	C15	C16	0.2°	0.3°
C13	N14	C15	H15	179.7°	179.8°
N12	C13	N14	C15	0.3°	0.5°
C13	N12	C11	C16	179.0°	179.7°
C13	N12	C16	C15	0.9°	0.3°
C13	N12	C11	C10	79.7°	90.3°
C13	N12	C11	H12	159.7°	149.7°
C13	N12	C11	H13	40.9°	29.7°
C13	N12	C16	H14	179.1°	179.8°
N14	C15	C16	N12	0.7°	0.0°
N14	C15	C16	H15	180.0°	179.9°
N14	C15	C16	H14	179.3°	180.0°
C15	N14	C13	H16	179.7°	180.0°
C11	N12	C16	C15	179.9°	180.0°
N12	C11	C10	H12	120.6°	120.0°
N12	C11	C10	H13	120.6°	120.0°
N12	C11	C10	C9	62.0°	180.0°
N12	C11	C10	H10	178.0°	60.0°
N12	C11	C10	H11	58.0°	60.0°
N12	C11	H12	H13	118.2°	120.0°
C11	N12	C16	H14	0.0°	0.0°
C11	N12	C13	H16	0.1°	0.2°
N12	C16	C15	H14	180.0°	180.0°
C16	N12	C11	C10	101.3°	90.0°
C16	N12	C11	H12	19.3°	30.0°
C16	N12	C11	H13	138.1°	150.0°
N12	C16	C15	H15	179.3°	179.9°
C16	N12	C13	H16	179.2°	180.0°
C11	C10	C9	H10	120.0°	120.0°
C11	C10	C9	H11	120.0°	120.1°
C11	C10	C9	C8	177.7°	180.0°
C11	C10	C9	H8	62.0°	60.0°
C11	C10	C9	H9	57.3°	59.9°
C11	C10	H10	H11	120.1°	120.0°
C10	C11	H12	H13	118.1°	120.0°
C10	C9	C8	H8	120.4°	120.0°
C10	C9	C8	H9	120.4°	120.0°
C10	C9	C8	C7	58.7°	180.0°
C10	C9	C8	H6	61.2°	60.0°
C10	C9	C8	H7	178.7°	60.0°
C10	C9	H8	H9	118.9°	120.0°
C9	C10	H10	H11	120.1°	120.0°
C9	C10	C11	H12	58.6°	60.0°
C9	C10	C11	H13	177.4°	60.0°
CL4	C4	C5	C6	179.5°	179.7°
CL4	C4	C5	C3	179.8°	180.0°
CL4	C4	C3	C2	178.9°	180.0°
CL4	C4	C3	H1	1.1°	0.1°
CL4	C4	C5	H2	0.5°	0.3°
C6	C5	C4	H2	180.0°	179.4°
C5	C6	C1	H3	180.0°	179.4°
C6	C5	C4	C3	0.4°	0.3°
C5	C6	C1	O1	178.6°	179.7°
C5	C6	C1	C2	3.3°	0.6°
C4	C5	C6	C1	0.7°	0.6°
C5	C4	C3	C2	1.3°	0.0°
C5	C4	C3	H1	178.7°	180.0°
C4	C5	C6	H3	179.4°	180.0°
C6	C1	O1	C7	5.4°	0.3°
C6	C1	O1	C2	175.4°	179.7°
C6	C1	C2	C3	4.8°	0.3°
C6	C1	C2	CL2	179.6°	179.7°
C1	C6	C5	H2	179.3°	180.0°
C4	C3	C2	C1	3.8°	0.0°
C4	C3	C2	H1	180.0°	179.9°
C4	C3	C2	CL2	179.0°	179.9°
C3	C4	C5	H2	179.6°	179.7°
C9	C8	C7	H6	120.0°	120.0°
C9	C8	C7	H7	120.0°	120.0°
C9	C8	C7	O1	174.1°	180.0°
C9	C8	C7	H4	53.8°	60.0°
C9	C8	C7	H5	65.5°	60.0°
C9	C8	H6	H7	120.1°	120.0°
C8	C9	H8	H9	118.9°	120.0°
C8	C9	C10	H10	57.7°	60.0°
C8	C9	C10	H11	62.3°	59.9°
C8	C7	O1	H4	120.3°	120.0°
C8	C7	O1	H5	120.4°	120.0°
C8	C7	O1	C1	143.5°	180.0°
C8	C7	H4	H5	119.0°	120.1°
C7	C8	H6	H7	120.1°	120.1°
C7	C8	C9	H8	179.1°	60.0°
C7	C8	C9	H9	61.6°	60.0°
C7	O1	C1	C2	179.2°	180.0°
O1	C7	H4	H5	118.9°	120.0°
O1	C7	C8	H6	65.9°	60.0°
O1	C7	C8	H7	54.2°	60.1°
O1	C1	C2	C3	179.7°	180.0°
O1	C1	C2	CL2	4.9°	0.1°
O1	C1	C6	H3	1.4°	0.4°
C1	O1	C7	H4	96.2°	60.0°
C1	O1	C7	H5	23.1°	59.9°
C1	C2	C3	CL2	175.1°	180.0°
C1	C2	C3	H1	176.1°	180.0°
C2	C1	C6	H3	176.8°	180.0°
CL2	C2	C3	H1	1.0°	0.0°
H2	C5	C6	H3	0.6°	0.6°
H4	C7	C8	H6	173.8°	60.0°
H4	C7	C8	H7	66.2°	180.0°
H5	C7	C8	H6	54.5°	180.0°
H5	C7	C8	H7	174.5°	60.0°
H6	C8	C9	H8	59.1°	180.0°
H6	C8	C9	H9	178.4°	60.0°
H7	C8	C9	H8	60.9°	60.0°
H7	C8	C9	H9	58.3°	180.0°
H8	C9	C10	H10	178.1°	180.0°
H8	C9	C10	H11	58.0°	60.1°
H9	C9	C10	H10	62.6°	60.1°
H9	C9	C10	H11	177.3°	180.0°
H10	C10	C11	H12	61.4°	180.0°
H10	C10	C11	H13	57.4°	60.0°
H11	C10	C11	H12	178.6°	60.1°
H11	C10	C11	H13	62.6°	180.0°
H14	C16	C15	H15	0.7°	0.0°

Release date:	2015-10-21
Definition date:	2015-09-22
Last modified:	2015-10-16
Release status:	REL
Processing site:	RCSB
Derived from:	5DTJ