7M2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C11	C10	sing	1.38Å	1.41Å	Aromatic
N18	C19	doub	1.32Å	1.31Å	Aromatic
N18	C17	sing	1.32Å	1.35Å	Aromatic
C19	C14	sing	1.38Å	1.37Å	Aromatic
N01	C13	sing	1.40Å	1.38Å
N01	C02	sing	1.47Å	1.46Å
C17	C16	doub	1.38Å	1.38Å	Aromatic
C13	C08	doub	1.40Å	1.41Å	Aromatic
C10	C09	doub	1.38Å	1.39Å	Aromatic
C14	C02	sing	1.51Å	1.52Å
C14	C15	doub	1.39Å	1.39Å	Aromatic
C02	C03	sing	1.51Å	1.52Å
C16	C15	sing	1.39Å	1.38Å	Aromatic
C08	C09	sing	1.38Å	1.41Å	Aromatic
C08	N07	sing	1.40Å	1.42Å
C03	N07	sing	1.38Å	1.40Å	Aromatic
C03	C04	doub	1.34Å	1.37Å	Aromatic
N07	C06	sing	1.35Å	1.39Å	Aromatic
C04	C05	sing	1.41Å	1.42Å	Aromatic
C06	C05	doub	1.35Å	1.37Å	Aromatic
C19	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C02	H5	sing	1.09Å	1.10Å
N01	H6	sing	0.97Å	1.00Å
C09	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C05	H9	sing	1.08Å	1.08Å
C04	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C12	C13	119.8°	119.9°
C12	C11	C10	120.2°	120.4°
C12	C11	H12	119.9°	119.8°
C11	C12	H13	120.1°	120.1°
C12	C13	N01	120.7°	120.5°
C12	C13	C08	120.0°	119.4°
C13	C12	H13	120.1°	120.0°
C11	C10	C09	120.3°	120.1°
C11	C10	H11	119.8°	119.9°
C10	C11	H12	119.9°	119.8°
C19	N18	C17	117.2°	121.7°
N18	C19	C14	125.1°	120.8°
N18	C19	H1	117.4°	119.6°
N18	C17	C16	122.6°	120.8°
N18	C17	H2	118.7°	119.6°
C19	C14	C02	118.1°	120.4°
C19	C14	C15	117.3°	119.2°
C14	C19	H1	117.5°	119.6°
C13	N01	C02	118.0°	120.2°
N01	C13	C08	119.2°	120.1°
C13	N01	H6	107.3°	119.8°
N01	C02	C14	110.5°	109.8°
N01	C02	C03	108.6°	107.8°
N01	C02	H5	108.4°	109.9°
C02	N01	H6	107.3°	119.9°
C17	C16	C15	118.6°	119.1°
C16	C17	H2	118.7°	119.6°
C17	C16	H3	120.7°	120.4°
C13	C08	C09	120.2°	120.4°
C13	C08	N07	117.0°	117.8°
C10	C09	C08	119.5°	119.7°
C10	C09	H7	120.3°	120.1°
C09	C10	H11	119.8°	119.9°
C02	C14	C15	124.4°	120.4°
C14	C02	C03	113.9°	109.8°
C14	C02	H5	107.6°	109.8°
C14	C15	C16	119.1°	118.4°
C14	C15	H4	120.4°	120.8°
C02	C03	N07	116.8°	122.2°
C02	C03	C04	134.9°	129.5°
C03	C02	H5	107.7°	109.8°
C15	C16	H3	120.7°	120.4°
C16	C15	H4	120.5°	120.8°
C09	C08	N07	122.8°	121.8°
C08	C09	H7	120.3°	120.2°
C08	N07	C03	122.5°	121.4°
C08	N07	C06	129.5°	130.0°
N07	C03	C04	107.7°	108.3°
C03	N07	C06	108.0°	108.6°
C03	C04	C05	108.0°	107.3°
C03	C04	H10	126.0°	126.3°
N07	C06	C05	108.5°	108.1°
N07	C06	H8	125.8°	126.0°
C04	C05	C06	107.5°	107.6°
C04	C05	H9	126.2°	126.2°
C05	C04	H10	126.0°	126.4°
C05	C06	H8	125.8°	125.9°
C06	C05	H9	126.2°	126.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C12	C13	H13	180.0°	179.9°
C12	C11	C10	H12	180.0°	179.9°
C11	C12	C13	N01	179.2°	178.9°
C11	C12	C13	C08	0.9°	0.7°
C12	C11	C10	C09	0.5°	0.6°
C12	C11	C10	H11	179.6°	179.4°
C13	C12	C11	C10	0.4°	0.2°
C12	C13	N01	C08	179.9°	179.7°
C12	C13	N01	C02	145.6°	150.7°
C12	C13	C08	C09	1.4°	1.3°
C12	C13	C08	N07	179.1°	177.1°
C12	C13	N01	H6	93.2°	29.3°
C13	C12	C11	H12	179.6°	179.9°
C11	C10	C09	H11	180.0°	180.0°
C11	C10	C09	C08	0.9°	0.0°
C11	C10	C09	H7	179.1°	180.0°
C10	C11	C12	H13	179.6°	179.9°
N18	C19	C14	H1	180.0°	180.0°
C19	N18	C17	C16	4.7°	0.0°
N18	C19	C14	C02	178.2°	180.0°
N18	C19	C14	C15	1.8°	0.1°
C19	N18	C17	H2	175.3°	180.0°
C17	N18	C19	C14	3.7°	0.0°
N18	C17	C16	H2	180.0°	180.0°
N18	C17	C16	C15	4.0°	0.0°
C17	N18	C19	H1	176.3°	180.0°
N18	C17	C16	H3	175.9°	180.0°
C19	C14	C02	N01	79.8°	38.3°
C19	C14	C02	C15	176.0°	179.9°
C19	C14	C02	C03	157.6°	80.0°
C19	C14	C15	C16	0.9°	0.1°
C19	C14	C15	H4	179.1°	180.0°
C19	C14	C02	H5	38.3°	159.2°
C13	N01	C02	H6	121.2°	180.0°
C13	N01	C02	C14	175.1°	81.8°
C13	N01	C02	C03	49.6°	37.8°
N01	C13	C08	C09	178.7°	178.4°
N01	C13	C08	N07	1.0°	3.2°
C13	N01	C02	H5	67.2°	157.4°
N01	C13	C12	H13	0.8°	1.2°
C02	N01	C13	C08	34.5°	29.7°
N01	C02	C14	C03	122.6°	118.4°
N01	C02	C14	H5	118.2°	120.9°
N01	C02	C14	C15	104.1°	141.6°
N01	C02	C03	H5	117.2°	119.7°
N01	C02	C03	N07	34.0°	24.4°
N01	C02	C03	C04	155.8°	155.7°
C17	C16	C15	C14	2.0°	0.0°
C17	C16	C15	H3	180.0°	180.0°
C17	C16	C15	H4	178.0°	180.0°
C13	C08	C09	C10	1.4°	0.9°
C13	C08	C09	N07	177.6°	178.4°
C13	C08	N07	C03	13.7°	10.3°
C13	C08	N07	C06	164.5°	168.9°
C08	C13	N01	H6	86.7°	150.3°
C13	C08	C09	H7	178.6°	179.1°
C08	C13	C12	H13	179.1°	179.1°
C10	C09	C08	H7	180.0°	180.0°
C10	C09	C08	N07	179.0°	177.4°
C09	C10	C11	H12	179.5°	179.5°
C14	C02	C03	H5	119.2°	120.7°
C02	C14	C15	C16	177.0°	180.0°
C14	C02	C03	N07	157.6°	95.2°
C14	C02	C03	C04	32.2°	84.7°
C02	C14	C19	H1	1.8°	0.0°
C02	C14	C15	H4	3.0°	0.1°
C14	C02	N01	H6	53.9°	98.2°
C15	C14	C02	C03	18.4°	100.0°
C14	C15	C16	H4	180.0°	180.0°
C15	C14	C19	H1	178.2°	179.9°
C14	C15	C16	H3	178.0°	179.9°
C15	C14	C02	H5	137.7°	20.7°
C02	C03	N07	C08	4.6°	1.9°
C02	C03	N07	C04	172.8°	179.9°
C02	C03	N07	C06	176.9°	178.7°
C02	C03	C04	C05	176.5°	179.0°
C03	C02	N01	H6	71.7°	142.2°
C02	C03	C04	H10	3.5°	1.0°
C15	C16	C17	H2	176.0°	180.0°
C09	C08	N07	C03	164.0°	168.1°
C09	C08	N07	C06	17.8°	12.7°
C08	C09	C10	H11	179.1°	180.0°
C08	N07	C03	C06	178.5°	179.3°
C08	N07	C03	C04	177.4°	178.2°
C08	N07	C06	C05	179.3°	178.3°
N07	C08	C09	H7	1.0°	2.5°
C08	N07	C06	H8	0.7°	1.7°
N07	C03	C04	C05	5.6°	0.9°
C03	N07	C06	C05	0.9°	1.0°
N07	C03	C02	H5	83.2°	144.1°
C03	N07	C06	H8	179.1°	179.0°
N07	C03	C04	H10	174.4°	179.1°
C04	C03	N07	C06	4.1°	1.2°
C03	C04	C05	H10	180.0°	180.0°
C03	C04	C05	C06	5.1°	0.3°
C04	C03	C02	H5	87.0°	36.1°
C03	C04	C05	H9	174.9°	179.8°
N07	C06	C05	C04	2.5°	0.4°
N07	C06	C05	H8	180.0°	180.0°
N07	C06	C05	H9	177.4°	179.5°
C04	C05	C06	H9	180.0°	179.9°
C04	C05	C06	H8	177.5°	179.6°
C06	C05	C04	H10	174.9°	179.7°
H2	C17	C16	H3	4.0°	0.0°
H3	C16	C15	H4	2.0°	0.0°
H5	C02	N01	H6	171.6°	22.6°
H7	C09	C10	H11	0.9°	0.0°
H8	C06	C05	H9	2.5°	0.5°
H9	C05	C04	H10	5.1°	0.2°
H11	C10	C11	H12	0.4°	0.5°
H12	C11	C12	H13	0.4°	0.0°

Release date:	2016-12-28
Definition date:	2016-11-18
Last modified:	2016-12-22
Release status:	REL
Processing site:	EBI
Derived from:	5MF6