SZK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.39Å	1.40Å	Aromatic
C14	C13	sing	1.40Å	1.42Å	Aromatic
C16	C17	doub	1.38Å	1.40Å	Aromatic
C13	N12	sing	1.36Å	1.35Å	Aromatic
C13	C18	doub	1.40Å	1.38Å	Aromatic
C17	C18	sing	1.39Å	1.42Å	Aromatic
N12	C04	doub	1.31Å	1.33Å	Aromatic
C18	N03	sing	1.39Å	1.37Å	Aromatic
C04	N03	sing	1.36Å	1.34Å	Aromatic
C04	N05	sing	1.38Å	1.46Å
N03	C02	sing	1.47Å	1.47Å
C01	C02	sing	1.53Å	1.53Å
N05	C06	sing	1.47Å	1.44Å
C06	C07	sing	1.51Å	1.51Å
C08	C07	doub	1.35Å	1.40Å	Aromatic
C08	C09	sing	1.41Å	1.43Å	Aromatic
C07	O11	sing	1.34Å	1.29Å	Aromatic
C09	C10	doub	1.34Å	1.40Å	Aromatic
O11	C10	sing	1.34Å	1.30Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C02	H7	sing	1.09Å	1.10Å
C02	H8	sing	1.09Å	1.10Å
N05	H9	sing	0.97Å	1.00Å
C06	H10	sing	1.09Å	1.10Å
C06	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.08Å	1.08Å
C09	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C15	C16	120.1°	120.6°
C15	C14	C13	119.1°	119.7°
C14	C15	H2	120.0°	119.8°
C15	C14	H14	120.5°	120.1°
C15	C16	C17	120.5°	120.4°
C16	C15	H2	120.0°	119.7°
C15	C16	H15	119.8°	119.8°
C14	C13	N12	132.0°	133.4°
C14	C13	C18	121.5°	119.5°
C13	C14	H14	120.5°	120.1°
C16	C17	C18	119.9°	119.9°
C16	C17	H3	120.1°	120.1°
C17	C16	H15	119.7°	119.8°
N12	C13	C18	106.5°	107.1°
C13	N12	C04	109.1°	109.6°
C13	C18	C17	118.9°	120.0°
C13	C18	N03	108.2°	106.1°
C17	C18	N03	132.9°	133.9°
C18	C17	H3	120.0°	120.1°
N12	C04	N03	110.0°	109.9°
N12	C04	N05	118.4°	125.0°
C18	N03	C04	106.2°	107.3°
C18	N03	C02	125.3°	126.4°
N03	C04	N05	131.4°	125.1°
C04	N03	C02	128.4°	126.4°
C04	N05	C06	129.0°	120.0°
C04	N05	H9	104.4°	120.0°
N03	C02	C01	114.3°	109.4°
N03	C02	H7	108.2°	109.5°
N03	C02	H8	108.3°	109.5°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.5°	109.6°
C01	C02	H7	108.2°	109.5°
C01	C02	H8	108.2°	109.5°
N05	C06	C07	111.0°	109.5°
C06	N05	H9	104.4°	120.0°
N05	C06	H10	109.1°	109.5°
N05	C06	H11	109.1°	109.4°
C06	C07	C08	125.7°	125.8°
C06	C07	O11	123.9°	125.8°
C07	C06	H10	109.1°	109.5°
C07	C06	H11	109.1°	109.5°
C07	C08	C09	104.8°	106.8°
C08	C07	O11	110.4°	108.4°
C07	C08	H12	127.6°	126.6°
C08	C09	C10	104.2°	106.8°
C09	C08	H12	127.6°	126.6°
C08	C09	H13	127.9°	126.6°
C07	O11	C10	110.3°	109.5°
C09	C10	O11	110.3°	108.4°
C09	C10	H1	124.8°	125.8°
C10	C09	H13	127.9°	126.6°
O11	C10	H1	124.8°	125.8°
H4	C01	H5	109.4°	109.4°
H4	C01	H6	109.5°	109.4°
H5	C01	H6	109.5°	109.5°
H7	C02	H8	109.5°	109.5°
H10	C06	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C15	C16	H2	180.0°	180.0°
C15	C14	C13	H14	180.0°	180.0°
C14	C15	C16	C17	0.6°	0.0°
C15	C14	C13	N12	179.9°	180.0°
C15	C14	C13	C18	0.1°	0.1°
C14	C15	C16	H15	179.4°	179.9°
C16	C15	C14	C13	0.4°	0.1°
C15	C16	C17	H15	180.0°	180.0°
C15	C16	C17	C18	0.5°	0.0°
C15	C16	C17	H3	179.5°	179.9°
C16	C15	C14	H14	179.6°	179.9°
C14	C13	N12	C18	180.0°	179.9°
C14	C13	C18	C17	0.1°	0.1°
C14	C13	N12	C04	179.3°	180.0°
C14	C13	C18	N03	179.6°	180.0°
C13	C14	C15	H2	179.7°	180.0°
C16	C17	C18	C13	0.3°	0.0°
C16	C17	C18	H3	180.0°	179.9°
C16	C17	C18	N03	179.3°	180.0°
C17	C16	C15	H2	179.5°	180.0°
N12	C13	C18	C17	179.9°	180.0°
N12	C13	C18	N03	0.4°	0.0°
C13	N12	C04	N03	1.6°	0.0°
C13	N12	C04	N05	177.5°	180.0°
N12	C13	C14	H14	0.2°	0.0°
C13	C18	C17	N03	179.6°	179.9°
C18	C13	N12	C04	0.7°	0.1°
C13	C18	N03	C04	1.3°	0.0°
C13	C18	N03	C02	179.5°	180.0°
C13	C18	C17	H3	179.7°	180.0°
C18	C13	C14	H14	179.8°	179.9°
C17	C18	N03	C04	179.0°	180.0°
C17	C18	N03	C02	0.8°	0.0°
C18	C17	C16	H15	179.5°	179.9°
N12	C04	N03	C18	1.8°	0.0°
N12	C04	N03	N05	175.2°	180.0°
N12	C04	N03	C02	179.9°	180.0°
N12	C04	N05	C06	128.8°	0.0°
N12	C04	N05	H9	108.6°	180.0°
C18	N03	C04	C02	178.2°	180.0°
C18	N03	C04	N05	177.0°	180.0°
C18	N03	C02	C01	60.2°	90.0°
N03	C18	C17	H3	0.7°	0.1°
C18	N03	C02	H7	179.1°	150.0°
C18	N03	C02	H8	60.6°	30.0°
C04	N03	C02	C01	122.0°	90.1°
N03	C04	N05	C06	56.3°	180.0°
C04	N03	C02	H7	1.3°	29.9°
C04	N03	C02	H8	117.3°	150.0°
N03	C04	N05	H9	66.3°	0.0°
N05	C04	N03	C02	4.9°	0.0°
C04	N05	C06	H9	122.6°	180.0°
C04	N05	C06	C07	58.2°	180.0°
C04	N05	C06	H10	62.1°	60.0°
C04	N05	C06	H11	178.4°	60.1°
N03	C02	C01	H7	120.7°	120.0°
N03	C02	C01	H8	120.7°	120.0°
N03	C02	C01	H4	180.0°	179.9°
N03	C02	C01	H5	60.0°	60.0°
N03	C02	C01	H6	60.0°	60.0°
N03	C02	H7	H8	117.8°	120.0°
C02	C01	H4	H5	120.0°	120.0°
C02	C01	H4	H6	120.0°	120.1°
C02	C01	H5	H6	120.0°	120.1°
C01	C02	H7	H8	117.8°	120.0°
N05	C06	C07	H10	120.2°	120.0°
N05	C06	C07	H11	120.2°	119.9°
N05	C06	C07	C08	23.6°	89.9°
N05	C06	C07	O11	156.1°	90.0°
N05	C06	H10	H11	119.3°	120.0°
C06	C07	C08	O11	179.8°	179.9°
C06	C07	C08	C09	179.0°	179.9°
C06	C07	O11	C10	179.0°	180.0°
C07	C06	N05	H9	179.3°	0.0°
C07	C06	H10	H11	119.3°	120.0°
C06	C07	C08	H12	1.0°	0.1°
C07	C08	C09	H12	180.0°	179.8°
C07	C08	C09	C10	0.5°	0.1°
C08	C07	O11	C10	0.7°	0.1°
C08	C07	C06	H10	143.8°	30.1°
C08	C07	C06	H11	96.6°	150.2°
C07	C08	C09	H13	179.5°	179.8°
C09	C08	C07	O11	0.8°	0.0°
C08	C09	C10	H13	180.0°	180.0°
C08	C09	C10	O11	0.1°	0.2°
C08	C09	C10	H1	179.9°	180.0°
C07	O11	C10	C09	0.4°	0.2°
C07	O11	C10	H1	179.6°	180.0°
O11	C07	C06	H10	35.9°	150.0°
O11	C07	C06	H11	83.6°	29.9°
O11	C07	C08	H12	179.2°	179.8°
C09	C10	O11	H1	180.0°	179.9°
C10	C09	C08	H12	179.5°	179.9°
O11	C10	C09	H13	179.9°	179.8°
H1	C10	C09	H13	0.1°	0.1°
H2	C15	C14	H14	0.3°	0.0°
H2	C15	C16	H15	0.5°	0.0°
H3	C17	C16	H15	0.5°	0.0°
H4	C01	H5	H6	120.0°	119.9°
H4	C01	C02	H7	59.3°	60.0°
H4	C01	C02	H8	59.2°	60.1°
H5	C01	C02	H7	179.3°	60.0°
H5	C01	C02	H8	60.7°	180.0°
H6	C01	C02	H7	60.7°	180.0°
H6	C01	C02	H8	179.3°	60.0°
H9	N05	C06	H10	60.5°	120.0°
H9	N05	C06	H11	59.0°	120.0°
H12	C08	C09	H13	0.5°	0.0°

Release date:	2020-12-23
Definition date:	2020-12-08
Last modified:	2020-12-18
Release status:	REL
Processing site:	PDBE
Derived from:	7B6L