0LA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C11	doub	1.21Å	1.26Å
O12	C11	sing	1.34Å	1.25Å
C11	C10	sing	1.51Å	1.52Å
N9	C8A	sing	1.38Å	1.38Å	Aromatic
N9	C9A	sing	1.38Å	1.38Å	Aromatic
C8	C8A	doub	1.39Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
C10	C7	sing	1.51Å	1.51Å
C10	C14	sing	1.53Å	1.53Å
C8A	C4B	sing	1.40Å	1.41Å	Aromatic
C1	C9A	doub	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C9A	C4A	sing	1.40Å	1.41Å	Aromatic
C7	C6	doub	1.39Å	1.43Å	Aromatic
C2	C3	doub	1.39Å	1.40Å	Aromatic
C4B	C4A	sing	1.47Å	1.40Å	Aromatic
C4B	C5	doub	1.39Å	1.41Å	Aromatic
C4A	C4	doub	1.39Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.41Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C3	CL	sing	1.74Å	1.78Å
C2	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
N9	H3	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
O12	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C11	O12	122.0°	120.0°
O13	C11	C10	118.7°	120.0°
O12	C11	C10	119.3°	120.0°
C11	O12	H12	109.5°	117.0°
C11	C10	C7	107.7°	109.4°
C11	C10	C14	107.3°	109.5°
C11	C10	H8	109.6°	109.5°
C8A	N9	C9A	111.3°	110.3°
N9	C8A	C8	132.3°	132.3°
N9	C8A	C4B	106.4°	108.4°
C8A	N9	H3	124.3°	124.9°
N9	C9A	C1	132.2°	132.3°
N9	C9A	C4A	105.6°	108.4°
C9A	N9	H3	124.3°	124.9°
C8A	C8	C7	118.3°	120.0°
C8	C8A	C4B	121.4°	119.3°
C8A	C8	H7	120.8°	120.0°
C8	C7	C10	116.0°	119.7°
C8	C7	C6	119.7°	120.5°
C7	C8	H7	120.8°	120.0°
C7	C10	C14	112.9°	109.5°
C10	C7	C6	124.4°	119.7°
C7	C10	H8	109.8°	109.5°
C14	C10	H8	109.5°	109.5°
C10	C14	H9	109.5°	109.5°
C10	C14	H10	109.5°	109.5°
C10	C14	H11	109.5°	109.5°
C8A	C4B	C4A	107.4°	106.5°
C8A	C4B	C5	122.6°	120.1°
C9A	C1	C2	116.7°	120.1°
C1	C9A	C4A	122.2°	119.3°
C9A	C1	H2	121.6°	119.9°
C1	C2	C3	120.3°	120.5°
C1	C2	H1	119.9°	119.7°
C2	C1	H2	121.6°	120.0°
C9A	C4A	C4B	109.3°	106.5°
C9A	C4A	C4	121.9°	120.1°
C7	C6	C5	123.0°	120.3°
C7	C6	H6	118.5°	119.9°
C2	C3	C4	124.2°	120.2°
C2	C3	CL	117.0°	119.9°
C3	C2	H1	119.9°	119.8°
C4A	C4B	C5	130.0°	133.4°
C4B	C4A	C4	128.8°	133.4°
C4B	C5	C6	115.0°	119.7°
C4B	C5	H5	122.5°	120.1°
C4A	C4	C3	114.7°	119.8°
C4A	C4	H4	122.6°	120.1°
C6	C5	H5	122.5°	120.1°
C5	C6	H6	118.5°	119.8°
C4	C3	CL	118.8°	119.9°
C3	C4	H4	122.6°	120.1°
H9	C14	H10	109.5°	109.4°
H9	C14	H11	109.5°	109.5°
H10	C14	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C11	O12	C10	178.4°	180.0°
O13	C11	C10	C7	98.5°	0.0°
O13	C11	C10	C14	139.6°	120.0°
O13	C11	C10	H8	20.9°	120.0°
O13	C11	O12	H12	0.0°	0.0°
O12	C11	C10	C7	79.9°	180.0°
O12	C11	C10	C14	41.9°	60.0°
O12	C11	C10	H8	160.7°	60.0°
C11	C10	C7	C8	59.3°	120.0°
C11	C10	C7	C14	118.3°	120.0°
C11	C10	C7	H8	119.2°	120.0°
C11	C10	C14	H8	118.8°	120.0°
C11	C10	C7	C6	119.5°	60.0°
C11	C10	C14	H9	180.0°	180.0°
C11	C10	C14	H10	60.0°	60.0°
C11	C10	C14	H11	60.0°	60.0°
C10	C11	O12	H12	178.3°	180.0°
C8A	N9	C9A	H3	180.0°	179.9°
N9	C8A	C8	C4B	179.3°	180.0°
N9	C8A	C8	C7	179.4°	180.0°
C8A	N9	C9A	C1	179.2°	179.9°
C8A	N9	C9A	C4A	0.3°	0.0°
N9	C8A	C4B	C4A	0.3°	0.0°
N9	C8A	C4B	C5	179.9°	180.0°
N9	C8A	C8	H7	0.6°	0.0°
C9A	N9	C8A	C8	179.7°	180.0°
C9A	N9	C8A	C4B	0.4°	0.0°
N9	C9A	C1	C4A	178.7°	179.9°
N9	C9A	C1	C2	179.1°	180.0°
N9	C9A	C4A	C4B	0.1°	0.0°
N9	C9A	C4A	C4	179.5°	180.0°
N9	C9A	C1	H2	0.9°	0.2°
C8A	C8	C7	H7	180.0°	180.0°
C8A	C8	C7	C10	178.9°	180.0°
C8A	C8	C7	C6	0.0°	0.0°
C8	C8A	C4B	C4A	179.7°	180.0°
C8	C8A	C4B	C5	0.4°	0.0°
C8	C8A	N9	H3	0.3°	0.0°
C8	C7	C10	C6	178.9°	180.0°
C8	C7	C10	C14	177.6°	120.0°
C7	C8	C8A	C4B	0.1°	0.0°
C8	C7	C6	C5	0.3°	0.0°
C8	C7	C6	H6	179.8°	179.9°
C8	C7	C10	H8	59.9°	0.0°
C7	C10	C14	H8	122.7°	120.0°
C10	C7	C6	C5	179.1°	180.0°
C10	C7	C6	H6	1.0°	0.0°
C10	C7	C8	H7	1.1°	0.0°
C7	C10	C14	H9	61.5°	60.0°
C7	C10	C14	H10	178.5°	180.0°
C7	C10	C14	H11	58.5°	60.0°
C14	C10	C7	C6	1.2°	60.0°
C10	C14	H9	H10	120.0°	120.0°
C10	C14	H9	H11	120.0°	120.0°
C10	C14	H10	H11	120.0°	120.0°
C8A	C4B	C4A	C9A	0.1°	0.0°
C8A	C4B	C4A	C5	179.8°	179.9°
C8A	C4B	C4A	C4	179.3°	180.0°
C8A	C4B	C5	C6	0.7°	0.0°
C4B	C8A	N9	H3	179.6°	180.0°
C8A	C4B	C5	H5	179.3°	180.0°
C4B	C8A	C8	H7	179.9°	180.0°
C9A	C1	C2	H2	180.0°	179.9°
C9A	C1	C2	C3	0.5°	0.1°
C1	C9A	C4A	C4B	179.1°	180.0°
C1	C9A	C4A	C4	1.5°	0.1°
C9A	C1	C2	H1	179.5°	180.0°
C1	C9A	N9	H3	0.8°	0.1°
C2	C1	C9A	C4A	0.4°	0.1°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C4	0.5°	0.0°
C1	C2	C3	CL	179.6°	179.7°
C9A	C4A	C4B	C4	179.3°	180.0°
C9A	C4A	C4B	C5	179.9°	180.0°
C9A	C4A	C4	C3	1.4°	0.0°
C4A	C9A	C1	H2	179.6°	180.0°
C4A	C9A	N9	H3	179.7°	180.0°
C9A	C4A	C4	H4	178.6°	179.8°
C7	C6	C5	C4B	0.6°	0.0°
C7	C6	C5	H6	180.0°	180.0°
C7	C6	C5	H5	179.4°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C10	H8	121.3°	180.0°
C2	C3	C4	C4A	0.5°	0.0°
C2	C3	C4	CL	179.9°	179.7°
C3	C2	C1	H2	179.4°	179.9°
C2	C3	C4	H4	179.5°	179.7°
C4A	C4B	C5	C6	179.6°	180.0°
C4B	C4A	C4	C3	179.3°	180.0°
C4B	C4A	C4	H4	0.7°	0.3°
C4A	C4B	C5	H5	0.5°	0.0°
C5	C4B	C4A	C4	0.6°	0.0°
C4B	C5	C6	H5	180.0°	180.0°
C4B	C5	C6	H6	179.5°	180.0°
C4A	C4	C3	H4	180.0°	179.7°
C4A	C4	C3	CL	179.5°	179.7°
C4	C3	C2	H1	179.5°	180.0°
CL	C3	C2	H1	0.4°	0.3°
CL	C3	C4	H4	0.6°	0.0°
H1	C2	C1	H2	0.5°	0.1°
H5	C5	C6	H6	0.5°	0.0°
H8	C10	C14	H9	61.2°	60.0°
H8	C10	C14	H10	58.8°	60.0°
H8	C10	C14	H11	178.8°	NaN°
H9	C14	H10	H11	120.0°	120.0°

Release date:	2013-01-18
Definition date:	2012-02-13
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4DO3