N8Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C08	sing	1.54Å	1.47Å
C09	C11	sing	1.54Å	1.55Å
C08	C07	sing	1.55Å	1.50Å
C11	O02	sing	1.44Å	1.48Å
C07	O02	sing	1.44Å	1.43Å
C07	C10	sing	1.53Å	1.52Å
S01	C13	doub	1.71Å	1.65Å
C10	N03	sing	1.47Å	1.48Å
C13	N03	sing	1.35Å	1.35Å
C13	N04	sing	1.35Å	1.33Å
N03	C12	sing	1.38Å	1.37Å
N04	N05	sing	1.40Å	1.36Å
C12	N05	doub	1.30Å	1.32Å
C12	C14	sing	1.48Å	1.55Å
C15	C14	doub	1.40Å	1.38Å	Aromatic
C15	C17	sing	1.38Å	1.37Å	Aromatic
C14	C16	sing	1.40Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C16	N06	doub	1.32Å	1.38Å	Aromatic
C18	N06	sing	1.32Å	1.35Å	Aromatic
N04	H1	sing	0.97Å	1.00Å
C07	H2	sing	1.09Å	1.10Å
C08	H3	sing	1.09Å	1.10Å
C08	H4	sing	1.09Å	1.10Å
C09	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C17	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C08	C09	C11	104.8°	104.1°
C09	C08	C07	93.9°	104.1°
C09	C08	H3	113.2°	110.5°
C09	C08	H4	113.2°	110.6°
C08	C09	H5	110.6°	110.6°
C08	C09	H6	110.7°	110.5°
C09	C11	O02	107.0°	104.8°
C11	C09	H5	110.6°	110.5°
C11	C09	H6	110.6°	110.5°
C09	C11	H9	110.1°	110.4°
C09	C11	H10	110.1°	110.4°
C08	C07	O02	107.3°	104.8°
C08	C07	C10	120.3°	110.3°
C08	C07	H2	103.3°	110.4°
C07	C08	H3	113.2°	110.5°
C07	C08	H4	113.2°	110.6°
C11	O02	C07	92.8°	105.3°
O02	C11	H9	110.0°	110.4°
O02	C11	H10	110.1°	110.4°
O02	C07	C10	116.7°	110.4°
O02	C07	H2	103.9°	110.4°
C07	C10	N03	126.1°	109.4°
C10	C07	H2	103.0°	110.3°
C07	C10	H7	105.2°	109.4°
C07	C10	H8	105.2°	109.5°
S01	C13	N03	125.1°	126.2°
S01	C13	N04	129.9°	126.2°
C10	N03	C13	122.4°	125.8°
C10	N03	C12	128.4°	125.8°
N03	C10	H7	105.1°	109.5°
N03	C10	H8	105.2°	109.5°
N03	C13	N04	104.9°	107.6°
C13	N03	C12	108.9°	108.3°
C13	N04	N05	111.7°	107.5°
C13	N04	H1	124.1°	126.2°
N03	C12	N05	109.0°	108.6°
N03	C12	C14	127.5°	125.8°
N04	N05	C12	105.4°	108.0°
N05	N04	H1	124.2°	126.3°
N05	C12	C14	123.5°	125.7°
C12	C14	C15	117.3°	120.5°
C12	C14	C16	122.1°	120.5°
C14	C15	C17	121.5°	118.3°
C15	C14	C16	120.6°	118.9°
C14	C15	H11	119.3°	120.9°
C15	C17	C18	117.4°	119.3°
C17	C15	H11	119.2°	120.9°
C15	C17	H13	121.3°	120.3°
C14	C16	N06	117.2°	120.5°
C14	C16	H12	121.4°	119.7°
C17	C18	N06	121.0°	121.1°
C18	C17	H13	121.3°	120.4°
C17	C18	H14	119.5°	119.4°
C16	N06	C18	122.4°	121.9°
N06	C16	H12	121.4°	119.7°
N06	C18	H14	119.5°	119.5°
H3	C08	H4	109.4°	110.4°
H5	C09	H6	109.4°	110.6°
H7	C10	H8	109.5°	109.5°
H9	C11	H10	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C08	C09	C11	H5	119.3°	118.7°
C08	C09	C11	H6	119.3°	118.6°
C09	C08	C07	H3	117.3°	118.6°
C09	C08	C07	H4	117.3°	118.8°
C08	C09	C11	O02	1.3°	24.0°
C09	C08	C07	O02	57.1°	24.0°
C09	C08	C07	C10	166.2°	142.8°
C09	C08	C07	H2	52.2°	95.0°
C09	C08	H3	H4	127.3°	122.7°
C08	C09	H5	H6	122.2°	122.7°
C08	C09	C11	H9	120.9°	94.8°
C08	C09	C11	H10	118.3°	142.9°
C11	C09	C08	C07	29.4°	0.0°
C09	C11	O02	H9	119.6°	118.8°
C09	C11	O02	H10	119.6°	118.9°
C09	C11	O02	C07	32.9°	40.5°
C11	C09	C08	H3	146.8°	118.6°
C11	C09	C08	H4	87.9°	118.8°
C11	C09	H5	H6	122.1°	122.6°
C09	C11	H9	H10	121.1°	122.3°
C08	C07	O02	C11	56.9°	40.5°
C08	C07	O02	C10	138.4°	118.8°
C08	C07	O02	H2	109.0°	118.9°
C08	C07	C10	H2	114.1°	122.3°
C08	C07	C10	N03	90.7°	179.8°
C07	C08	H3	H4	127.3°	122.7°
C07	C08	C09	H5	148.7°	118.6°
C07	C08	C09	H6	89.8°	118.6°
C08	C07	C10	H7	147.1°	59.8°
C08	C07	C10	H8	31.5°	60.2°
C11	O02	C07	C10	164.6°	159.3°
C11	O02	C07	H2	52.0°	78.5°
O02	C11	C09	H5	118.0°	94.7°
O02	C11	C09	H6	120.6°	142.6°
O02	C11	H9	H10	121.1°	122.3°
O02	C07	C10	H2	113.1°	122.3°
O02	C07	C10	N03	42.1°	64.4°
O02	C07	C08	H3	174.5°	94.6°
O02	C07	C08	H4	60.2°	142.8°
O02	C07	C10	H7	80.1°	55.6°
O02	C07	C10	H8	164.3°	175.6°
C07	O02	C11	H9	152.5°	78.3°
C07	O02	C11	H10	86.7°	159.4°
C07	C10	N03	H7	122.2°	119.9°
C07	C10	N03	H8	122.2°	120.0°
C07	C10	N03	C13	81.9°	87.2°
C07	C10	N03	C12	105.2°	93.1°
C10	C07	C08	H3	48.9°	24.2°
C10	C07	C08	H4	76.4°	98.4°
C07	C10	H7	H8	112.6°	120.1°
S01	C13	N03	C10	6.2°	0.2°
S01	C13	N03	N04	178.8°	179.9°
S01	C13	N03	C12	179.7°	180.0°
S01	C13	N04	N05	178.1°	179.8°
S01	C13	N04	H1	2.0°	0.2°
C10	N03	C13	C12	174.1°	179.8°
C10	N03	C13	N04	175.0°	179.7°
C10	N03	C12	N05	175.9°	180.0°
C10	N03	C12	C14	7.7°	0.1°
N03	C10	C07	H2	155.2°	57.9°
N03	C10	H7	H8	112.6°	120.0°
N03	C13	N04	N05	0.7°	0.3°
C13	N03	C12	N05	2.2°	0.3°
C13	N03	C12	C14	178.7°	179.8°
N03	C13	N04	H1	179.3°	179.8°
C13	N03	C10	H7	155.8°	32.8°
C13	N03	C10	H8	40.3°	152.8°
N04	C13	N03	C12	0.9°	0.0°
C13	N04	N05	H1	180.0°	179.6°
C13	N04	N05	C12	2.0°	0.4°
N03	C12	N05	N04	2.5°	0.4°
N03	C12	N05	C14	176.6°	179.9°
N03	C12	C14	C15	55.0°	19.3°
N03	C12	C14	C16	125.7°	160.5°
C12	N03	C10	H7	17.0°	147.0°
C12	N03	C10	H8	132.6°	26.9°
N04	N05	C12	C14	179.1°	179.6°
N05	C12	C14	C15	120.9°	160.6°
N05	C12	C14	C16	58.3°	19.5°
C12	N05	N04	H1	178.0°	180.0°
C12	C14	C15	C16	179.2°	179.9°
C12	C14	C15	C17	179.2°	180.0°
C12	C14	C16	N06	179.8°	180.0°
C12	C14	C15	H11	0.8°	0.1°
C12	C14	C16	H12	0.2°	0.2°
C14	C15	C17	H11	180.0°	179.9°
C14	C15	C17	C18	0.2°	0.0°
C15	C14	C16	N06	0.6°	0.1°
C15	C14	C16	H12	179.4°	180.0°
C14	C15	C17	H13	179.8°	180.0°
C17	C15	C14	C16	0.0°	0.1°
C15	C17	C18	H13	180.0°	180.0°
C15	C17	C18	N06	0.3°	0.0°
C15	C17	C18	H14	179.8°	180.0°
C14	C16	N06	H12	180.0°	179.9°
C14	C16	N06	C18	1.0°	0.1°
C16	C14	C15	H11	180.0°	180.0°
C17	C18	N06	C16	0.9°	0.0°
C17	C18	N06	H14	180.0°	180.0°
C18	C17	C15	H11	179.8°	179.9°
C16	N06	C18	H14	179.1°	180.0°
C18	N06	C16	H12	179.0°	179.9°
N06	C18	C17	H13	179.8°	180.0°
H2	C07	C08	H3	65.1°	146.4°
H2	C07	C08	H4	169.6°	23.8°
H2	C07	C10	H7	33.0°	177.9°
H2	C07	C10	H8	82.6°	62.1°
H3	C08	C09	H5	94.0°	0.0°
H3	C08	C09	H6	27.5°	122.8°
H4	C08	C09	H5	31.4°	122.6°
H4	C08	C09	H6	152.8°	0.2°
H5	C09	C11	H9	1.6°	146.5°
H5	C09	C11	H10	122.4°	24.2°
H6	C09	C11	H9	119.8°	23.8°
H6	C09	C11	H10	1.0°	98.5°
H11	C15	C17	H13	0.2°	0.1°
H13	C17	C18	H14	0.2°	0.0°

Release date:	2020-08-26
Definition date:	2019-11-15
Last modified:	2020-08-21
Release status:	REL
Processing site:	PDBE
Derived from:	6TGD