NL9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O05	B03	sing	1.42Å	1.46Å
O04	B03	sing	1.42Å	1.46Å
B03	C06	sing	1.57Å	1.59Å
C06	C07	sing	1.41Å	1.38Å	Aromatic
C06	C17	doub	1.38Å	1.41Å	Aromatic
C07	N08	doub	1.30Å	1.36Å	Aromatic
C17	N09	sing	1.34Å	1.34Å	Aromatic
N08	N09	sing	1.40Å	1.37Å	Aromatic
N09	C10	sing	1.40Å	1.37Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C10	C16	sing	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C16	C14	doub	1.38Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C14	CL1	sing	1.74Å	1.74Å
O04	H1	sing	0.97Å	0.95Å
O05	H2	sing	0.97Å	0.95Å
C07	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O05	B03	O04	106.6°	120.0°
O05	B03	C06	111.8°	120.0°
B03	O05	H2	109.5°	114.0°
O04	B03	C06	106.9°	120.0°
B03	O04	H1	109.5°	114.0°
B03	C06	C07	130.4°	126.4°
B03	C06	C17	123.4°	126.4°
C07	C06	C17	106.1°	107.2°
C06	C07	N08	108.2°	108.1°
C06	C07	H3	125.9°	126.0°
C06	C17	N09	108.8°	107.4°
C06	C17	H8	125.6°	126.3°
C07	N08	N09	109.0°	108.8°
N08	C07	H3	125.9°	125.9°
C17	N09	N08	107.9°	108.4°
C17	N09	C10	125.7°	125.8°
N09	C17	H8	125.6°	126.3°
N08	N09	C10	126.2°	125.8°
N09	C10	C11	119.6°	120.0°
N09	C10	C16	121.1°	120.1°
C11	C10	C16	119.1°	119.9°
C10	C11	C12	120.5°	119.9°
C10	C11	H4	119.8°	120.1°
C10	C16	C14	120.9°	120.0°
C10	C16	H7	119.6°	120.0°
C11	C12	C13	119.2°	120.1°
C12	C11	H4	119.7°	120.0°
C11	C12	H5	120.4°	120.0°
C16	C14	C13	119.1°	120.0°
C16	C14	CL1	118.5°	120.0°
C14	C16	H7	119.6°	120.1°
C12	C13	C14	121.2°	120.1°
C13	C12	H5	120.4°	119.9°
C12	C13	H6	119.4°	119.9°
C13	C14	CL1	122.4°	120.0°
C14	C13	H6	119.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O05	B03	O04	C06	119.7°	179.7°
O05	B03	C06	C07	19.2°	179.7°
O05	B03	C06	C17	155.7°	0.6°
O05	B03	O04	H1	180.0°	0.3°
O04	B03	C06	C07	135.5°	0.0°
O04	B03	C06	C17	39.4°	179.7°
O04	B03	O05	H2	180.0°	0.4°
B03	C06	C07	C17	175.6°	179.7°
B03	C06	C07	N08	177.2°	180.0°
B03	C06	C17	N09	177.9°	179.9°
C06	B03	O04	H1	60.2°	180.0°
C06	B03	O05	H2	63.5°	179.9°
B03	C06	C07	H3	2.8°	0.1°
B03	C06	C17	H8	2.0°	0.0°
C06	C07	N08	H3	180.0°	179.9°
C07	C06	C17	N09	1.9°	0.4°
C06	C07	N08	N09	0.7°	0.0°
C07	C06	C17	H8	178.0°	179.8°
C17	C06	C07	N08	1.6°	0.3°
C06	C17	N09	H8	180.0°	179.8°
C06	C17	N09	N08	1.5°	0.4°
C06	C17	N09	C10	177.1°	179.9°
C17	C06	C07	H3	178.4°	179.8°
C07	N08	N09	C17	0.5°	0.2°
C07	N08	N09	C10	176.0°	180.0°
C17	N09	N08	C10	175.5°	179.7°
C17	N09	C10	C11	26.2°	179.7°
C17	N09	C10	C16	159.1°	0.0°
N08	N09	C10	C11	148.5°	0.0°
N08	N09	C10	C16	26.2°	179.7°
N09	N08	C07	H3	179.3°	179.9°
N08	N09	C17	H8	178.4°	179.8°
N09	C10	C11	C16	174.9°	179.7°
N09	C10	C11	C12	178.5°	180.0°
N09	C10	C16	C14	178.5°	179.7°
N09	C10	C11	H4	1.5°	0.1°
N09	C10	C16	H7	1.5°	0.0°
C10	N09	C17	H8	2.9°	0.0°
C10	C11	C12	H4	180.0°	179.9°
C11	C10	C16	C14	3.7°	0.6°
C10	C11	C12	C13	1.5°	0.0°
C10	C11	C12	H5	178.5°	180.0°
C11	C10	C16	H7	176.3°	179.7°
C16	C10	C11	C12	3.6°	0.3°
C10	C16	C14	H7	180.0°	179.7°
C10	C16	C14	C13	1.6°	0.6°
C10	C16	C14	CL1	176.7°	179.8°
C16	C10	C11	H4	176.4°	179.8°
C11	C12	C13	H5	180.0°	180.0°
C11	C12	C13	C14	0.7°	0.0°
C11	C12	C13	H6	179.3°	179.9°
C16	C14	C13	C12	0.6°	0.3°
C16	C14	C13	CL1	178.2°	179.7°
C16	C14	C13	H6	179.4°	179.8°
C12	C13	C14	H6	180.0°	179.9°
C12	C13	C14	CL1	178.8°	180.0°
C13	C12	C11	H4	178.5°	179.9°
C14	C13	C12	H5	179.4°	180.0°
C13	C14	C16	H7	178.4°	179.7°
CL1	C14	C13	H6	1.2°	0.1°
CL1	C14	C16	H7	3.3°	0.0°
H4	C11	C12	H5	1.5°	0.1°
H5	C12	C13	H6	0.6°	0.1°

Release date:	2014-07-30
Definition date:	2013-08-06
Last modified:	2014-07-25
Release status:	REL
Processing site:	RCSB
Derived from:	4LV1