SK9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	N01	sing	1.47Å	1.41Å
C10	N01	sing	1.47Å	1.42Å
C10	C08	sing	1.53Å	1.51Å
CL01	C04	sing	1.74Å	1.71Å
N01	C09	sing	1.47Å	1.43Å
C08	C06	sing	1.51Å	1.52Å
C09	C07	sing	1.53Å	1.52Å
C04	C06	doub	1.39Å	1.38Å	Aromatic
C04	C02	sing	1.38Å	1.38Å	Aromatic
C06	C05	sing	1.38Å	1.40Å	Aromatic
O02	C02	sing	1.36Å	1.35Å
C02	C01	doub	1.39Å	1.38Å	Aromatic
C05	C07	sing	1.51Å	1.56Å
C05	C03	doub	1.39Å	1.39Å	Aromatic
C07	C11	sing	1.51Å	1.54Å
C01	C03	sing	1.38Å	1.38Å	Aromatic
C01	O01	sing	1.36Å	1.36Å
C13	C11	doub	1.38Å	1.40Å	Aromatic
C13	C16	sing	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.51Å	1.50Å
C16	C15	doub	1.38Å	1.38Å	Aromatic
C12	C14	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C03	H1	sing	1.08Å	1.08Å
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
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C17	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å
C17	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å
C18	H17	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
O01	H20	sing	0.97Å	0.95Å
O02	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	N01	C10	108.1°	111.0°
C18	N01	C09	110.9°	111.2°
N01	C18	H16	109.5°	109.5°
N01	C18	H17	109.5°	109.5°
N01	C18	H18	109.5°	109.4°
N01	C10	C08	108.5°	106.8°
C10	N01	C09	113.2°	111.7°
N01	C10	H7	109.7°	109.9°
N01	C10	H8	109.7°	109.9°
C10	C08	C06	111.3°	111.8°
C10	C08	H3	109.0°	109.0°
C10	C08	H4	109.0°	108.9°
C08	C10	H7	109.7°	109.7°
C08	C10	H8	109.7°	110.5°
CL01	C04	C06	118.9°	119.9°
CL01	C04	C02	120.3°	119.9°
N01	C09	C07	124.1°	107.4°
N01	C09	H5	105.7°	109.9°
N01	C09	H6	105.7°	110.0°
C08	C06	C04	114.5°	118.6°
C08	C06	C05	124.1°	121.2°
C06	C08	H3	109.0°	109.1°
C06	C08	H4	109.0°	109.0°
C09	C07	C05	110.4°	112.1°
C09	C07	C11	110.5°	109.0°
C09	C07	H2	107.8°	108.9°
C07	C09	H5	105.7°	109.8°
C07	C09	H6	105.7°	109.8°
C06	C04	C02	120.8°	120.3°
C04	C06	C05	121.4°	120.2°
C04	C02	O02	120.1°	120.2°
C04	C02	C01	118.9°	119.6°
C06	C05	C07	121.7°	122.3°
C06	C05	C03	116.8°	119.7°
O02	C02	C01	120.9°	120.1°
C02	O02	H21	109.5°	114.0°
C02	C01	C03	120.4°	119.8°
C02	C01	O01	119.8°	120.1°
C07	C05	C03	121.6°	118.0°
C05	C07	C11	113.0°	108.9°
C05	C07	H2	107.4°	108.9°
C05	C03	C01	121.6°	120.4°
C05	C03	H1	119.2°	119.7°
C07	C11	C13	125.8°	120.0°
C07	C11	C12	115.2°	120.0°
C11	C07	H2	107.5°	109.0°
C03	C01	O01	119.8°	120.1°
C01	C03	H1	119.2°	119.8°
C01	O01	H20	109.5°	114.0°
C11	C13	C16	119.5°	120.0°
C13	C11	C12	119.1°	120.0°
C11	C13	H10	120.3°	120.0°
C13	C16	C17	120.8°	120.0°
C13	C16	C15	120.5°	120.0°
C16	C13	H10	120.3°	120.0°
C11	C12	C14	121.4°	120.0°
C11	C12	H9	119.3°	120.0°
C17	C16	C15	118.7°	120.0°
C16	C17	H13	109.5°	109.5°
C16	C17	H14	109.5°	109.5°
C16	C17	H15	109.5°	109.4°
C16	C15	C14	120.3°	119.9°
C16	C15	H12	119.8°	120.0°
C12	C14	C15	119.3°	120.0°
C14	C12	H9	119.3°	120.0°
C12	C14	H11	120.3°	120.0°
C15	C14	H11	120.4°	119.9°
C14	C15	H12	119.9°	120.0°
H3	C08	H4	109.5°	109.0°
H5	C09	H6	109.5°	109.8°
H7	C10	H8	109.5°	110.0°
H13	C17	H14	109.5°	109.5°
H13	C17	H15	109.4°	109.5°
H14	C17	H15	109.5°	109.4°
H16	C18	H17	109.5°	109.5°
H16	C18	H18	109.5°	109.5°
H17	C18	H18	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	N01	C10	C09	123.3°	124.7°
C18	N01	C10	C08	162.3°	91.4°
C18	N01	C09	C07	166.9°	175.2°
C18	N01	C09	H5	71.1°	55.8°
C18	N01	C09	H6	44.9°	65.3°
C18	N01	C10	H7	42.5°	27.6°
C18	N01	C10	H8	77.8°	148.7°
N01	C18	H16	H17	120.0°	120.0°
N01	C18	H16	H18	120.0°	120.0°
N01	C18	H17	H18	120.0°	119.9°
N01	C10	C08	H7	119.9°	119.1°
N01	C10	C08	H8	119.8°	119.5°
N01	C10	C08	C06	87.4°	94.0°
C10	N01	C09	C07	71.4°	60.2°
N01	C10	C08	H3	32.9°	26.7°
N01	C10	C08	H4	152.3°	145.5°
C10	N01	C09	H5	50.6°	179.7°
C10	N01	C09	H6	166.6°	59.3°
N01	C10	H7	H8	120.5°	121.1°
C10	N01	C18	H16	180.0°	56.0°
C10	N01	C18	H17	60.0°	176.1°
C10	N01	C18	H18	60.0°	64.0°
C08	C10	N01	C09	74.4°	33.3°
C10	C08	C06	H3	120.3°	120.6°
C10	C08	C06	H4	120.2°	120.4°
C10	C08	C06	C04	116.1°	131.7°
C10	C08	C06	C05	64.0°	49.4°
C10	C08	H3	H4	119.1°	118.8°
C08	C10	H7	H8	120.4°	121.7°
CL01	C04	C06	C08	0.4°	1.7°
CL01	C04	C06	C02	179.9°	179.7°
CL01	C04	C06	C05	179.8°	179.4°
CL01	C04	C02	O02	0.1°	0.3°
CL01	C04	C02	C01	179.9°	179.8°
N01	C09	C07	H5	122.0°	119.5°
N01	C09	C07	H6	122.0°	119.7°
N01	C09	C07	C05	70.4°	92.3°
N01	C09	C07	C11	163.8°	147.1°
N01	C09	C07	H2	46.6°	28.3°
N01	C09	H5	H6	113.4°	121.1°
C09	N01	C10	H7	165.8°	152.3°
C09	N01	C10	H8	45.5°	86.5°
C09	N01	C18	H16	55.4°	179.0°
C09	N01	C18	H17	64.7°	58.9°
C09	N01	C18	H18	175.4°	61.0°
C08	C06	C04	C05	179.9°	178.9°
C08	C06	C04	C02	179.7°	178.6°
C08	C06	C05	C07	0.3°	2.1°
C08	C06	C05	C03	179.6°	178.5°
C06	C08	H3	H4	119.2°	118.9°
C06	C08	C10	H7	152.7°	146.9°
C06	C08	C10	H8	32.4°	25.5°
C09	C07	C05	C06	50.0°	29.7°
C09	C07	C05	C11	124.4°	120.7°
C09	C07	C05	H2	117.2°	120.6°
C09	C07	C05	C03	130.2°	150.9°
C09	C07	C11	H2	117.4°	118.7°
C09	C07	C11	C13	41.8°	117.1°
C09	C07	C11	C12	137.4°	62.6°
C07	C09	H5	H6	113.4°	120.9°
C06	C04	C02	O02	180.0°	179.9°
C06	C04	C02	C01	0.0°	0.0°
C04	C06	C05	C07	179.9°	179.0°
C04	C06	C05	C03	0.3°	0.4°
C04	C06	C08	H3	123.6°	107.7°
C04	C06	C08	H4	4.1°	11.3°
C02	C04	C06	C05	0.1°	0.4°
C04	C02	O02	C01	179.9°	179.9°
C04	C02	C01	C03	0.1°	0.4°
C04	C02	C01	O01	179.9°	180.0°
C04	C02	O02	H21	180.0°	90.0°
C06	C05	C07	C03	179.8°	179.4°
C06	C05	C07	C11	174.3°	150.4°
C06	C05	C03	C01	0.4°	0.0°
C06	C05	C03	H1	179.6°	180.0°
C06	C05	C07	H2	67.2°	90.9°
C05	C06	C08	H3	56.3°	71.3°
C05	C06	C08	H4	175.7°	169.8°
O02	C02	C01	C03	179.9°	179.7°
O02	C02	C01	O01	0.0°	0.1°
C02	C01	C03	C05	0.3°	0.4°
C02	C01	C03	O01	180.0°	179.6°
C02	C01	C03	H1	179.7°	179.7°
C02	C01	O01	H20	180.0°	89.6°
C01	C02	O02	H21	0.1°	90.1°
C05	C07	C11	H2	118.3°	118.7°
C07	C05	C03	C01	179.8°	179.4°
C05	C07	C11	C13	82.5°	120.3°
C05	C07	C11	C12	98.3°	60.0°
C07	C05	C03	H1	0.2°	0.6°
C05	C07	C09	H5	51.6°	148.3°
C05	C07	C09	H6	167.7°	27.4°
C03	C05	C07	C11	5.8°	30.2°
C05	C03	C01	H1	180.0°	180.0°
C05	C03	C01	O01	179.7°	180.0°
C03	C05	C07	H2	112.6°	88.5°
C07	C11	C13	C12	179.2°	179.7°
C07	C11	C13	C16	180.0°	180.0°
C07	C11	C12	C14	179.9°	179.9°
C11	C07	C09	H5	74.2°	27.7°
C11	C07	C09	H6	41.9°	93.2°
C07	C11	C12	H9	0.1°	0.0°
C07	C11	C13	H10	0.1°	0.0°
C03	C01	O01	H20	0.0°	90.0°
O01	C01	C03	H1	0.3°	0.0°
C11	C13	C16	H10	180.0°	180.0°
C11	C13	C16	C17	179.6°	180.0°
C11	C13	C16	C15	0.6°	0.0°
C13	C11	C12	C14	0.6°	0.2°
C13	C11	C07	H2	159.2°	1.6°
C13	C11	C12	H9	179.4°	179.7°
C16	C13	C11	C12	0.8°	0.3°
C13	C16	C17	C15	179.8°	180.0°
C13	C16	C15	C14	0.3°	0.3°
C13	C16	C15	H12	179.7°	180.0°
C13	C16	C17	H13	89.9°	90.0°
C13	C16	C17	H14	150.1°	150.0°
C13	C16	C17	H15	30.1°	30.1°
C11	C12	C14	H9	180.0°	179.9°
C11	C12	C14	C15	0.3°	0.1°
C12	C11	C07	H2	20.1°	178.7°
C12	C11	C13	H10	179.3°	179.7°
C11	C12	C14	H11	179.7°	180.0°
C17	C16	C15	C14	179.9°	179.7°
C17	C16	C13	H10	0.4°	0.0°
C17	C16	C15	H12	0.1°	0.0°
C16	C17	H13	H14	120.0°	120.0°
C16	C17	H13	H15	120.0°	120.0°
C16	C17	H14	H15	120.0°	119.9°
C16	C15	C14	C12	0.1°	0.3°
C16	C15	C14	H12	180.0°	179.7°
C15	C16	C13	H10	179.4°	180.0°
C16	C15	C14	H11	179.9°	179.8°
C15	C16	C17	H13	89.9°	90.0°
C15	C16	C17	H14	30.1°	30.0°
C15	C16	C17	H15	150.1°	149.9°
C12	C14	C15	H11	180.0°	179.9°
C12	C14	C15	H12	179.9°	179.9°
C15	C14	C12	H9	179.7°	180.0°
H2	C07	C09	H5	168.6°	91.1°
H2	C07	C09	H6	75.4°	148.0°
H3	C08	C10	H7	86.9°	92.4°
H3	C08	C10	H8	152.7°	146.2°
H4	C08	C10	H7	32.5°	26.4°
H4	C08	C10	H8	87.9°	95.0°
H9	C12	C14	H11	0.3°	0.1°
H11	C14	C15	H12	0.1°	0.0°
H13	C17	H14	H15	120.0°	120.0°
H16	C18	H17	H18	120.0°	120.0°

Release date:	2021-02-24
Definition date:	2020-08-24
Last modified:	2021-02-19
Release status:	REL
Processing site:	RCSB
Derived from:	7JVP