M62

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	C11	sing	1.47Å	1.44Å
N12	C21	sing	1.40Å	1.35Å
C11	C08	sing	1.51Å	1.52Å
C09	C08	doub	1.36Å	1.40Å	Aromatic
C09	C10	sing	1.41Å	1.40Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
C21	C26	doub	1.39Å	1.39Å	Aromatic
C21	C22	sing	1.39Å	1.39Å	Aromatic
C26	C25	sing	1.38Å	1.39Å	Aromatic
N01	C10	doub	1.34Å	1.36Å	Aromatic
N01	C02	sing	1.32Å	1.35Å	Aromatic
C10	C05	sing	1.42Å	1.39Å	Aromatic
C22	C23	doub	1.38Å	1.39Å	Aromatic
C07	C06	doub	1.36Å	1.39Å	Aromatic
C25	F27	sing	1.35Å	1.34Å
C25	C24	doub	1.38Å	1.39Å	Aromatic
N02	C02	sing	1.39Å	1.36Å
C02	C03	doub	1.40Å	1.39Å	Aromatic
C05	C06	sing	1.40Å	1.39Å	Aromatic
C05	C04	doub	1.41Å	1.40Å	Aromatic
C23	C24	sing	1.38Å	1.39Å	Aromatic
C03	C04	sing	1.36Å	1.40Å	Aromatic
N02	H1	sing	0.97Å	1.00Å
N02	H2	sing	0.97Å	1.00Å
C03	H3	sing	1.08Å	1.08Å
C04	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C09	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
N12	H10	sing	0.97Å	1.00Å
C22	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.08Å	1.08Å
C26	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	N12	C21	116.1°	120.0°
N12	C11	C08	112.9°	109.5°
N12	C11	H8	108.6°	109.4°
N12	C11	H9	108.6°	109.5°
C11	N12	H10	107.8°	120.0°
N12	C21	C26	121.1°	120.1°
N12	C21	C22	119.3°	120.0°
C21	N12	H10	107.8°	120.0°
C11	C08	C09	122.7°	119.5°
C11	C08	C07	118.3°	119.4°
C08	C11	H8	108.6°	109.5°
C08	C11	H9	108.6°	109.5°
C08	C09	C10	120.4°	119.8°
C09	C08	C07	119.0°	121.1°
C08	C09	H7	119.8°	120.1°
C09	C10	N01	120.3°	121.0°
C09	C10	C05	120.2°	119.1°
C10	C09	H7	119.8°	120.1°
C08	C07	C06	120.5°	120.8°
C08	C07	H6	119.8°	119.6°
C26	C21	C22	119.5°	119.9°
C21	C26	C25	119.4°	119.9°
C21	C26	H14	120.3°	120.1°
C21	C22	C23	121.1°	120.0°
C21	C22	H11	119.5°	120.0°
C26	C25	F27	119.9°	120.0°
C26	C25	C24	120.7°	120.0°
C25	C26	H14	120.3°	120.1°
C10	N01	C02	122.1°	121.3°
N01	C10	C05	119.5°	119.9°
N01	C02	N02	119.6°	119.3°
N01	C02	C03	120.2°	121.5°
C10	C05	C06	119.2°	119.6°
C10	C05	C04	119.9°	119.1°
C22	C23	C24	119.3°	120.1°
C23	C22	H11	119.5°	120.0°
C22	C23	H12	120.4°	119.9°
C07	C06	C05	120.6°	119.6°
C07	C06	H5	119.7°	120.2°
C06	C07	H6	119.8°	119.6°
F27	C25	C24	119.4°	120.0°
C25	C24	C23	120.0°	120.1°
C25	C24	H13	120.0°	119.9°
N02	C02	C03	120.3°	119.2°
C02	N02	H1	109.5°	120.0°
C02	N02	H2	109.4°	120.0°
C02	C03	C04	119.2°	119.9°
C02	C03	H3	120.4°	120.1°
C06	C05	C04	120.8°	121.3°
C05	C06	H5	119.7°	120.2°
C05	C04	C03	119.1°	118.3°
C05	C04	H4	120.4°	120.8°
C24	C23	H12	120.4°	119.9°
C23	C24	H13	120.0°	119.9°
C04	C03	H3	120.4°	120.1°
C03	C04	H4	120.4°	120.9°
H1	N02	H2	109.5°	120.0°
H8	C11	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	N12	C21	H10	120.9°	180.0°
N12	C11	C08	H8	120.5°	120.0°
N12	C11	C08	H9	120.5°	120.0°
N12	C11	C08	C09	41.2°	90.0°
N12	C11	C08	C07	138.9°	90.0°
C11	N12	C21	C26	169.0°	180.0°
C11	N12	C21	C22	10.6°	0.2°
N12	C11	H8	H9	118.4°	120.0°
C21	N12	C11	C08	100.1°	180.0°
N12	C21	C26	C22	179.6°	179.8°
N12	C21	C26	C25	179.4°	179.7°
N12	C21	C22	C23	179.3°	180.0°
C21	N12	C11	H8	20.4°	60.0°
C21	N12	C11	H9	139.4°	60.0°
N12	C21	C22	H11	0.7°	0.1°
N12	C21	C26	H14	0.6°	0.1°
C11	C08	C09	C07	179.9°	180.0°
C11	C08	C09	C10	179.5°	180.0°
C11	C08	C07	C06	179.8°	180.0°
C11	C08	C07	H6	0.2°	0.0°
C11	C08	C09	H7	0.5°	0.0°
C08	C11	H8	H9	118.4°	120.0°
C08	C11	N12	H10	20.9°	0.0°
C08	C09	C10	H7	180.0°	180.0°
C08	C09	C10	N01	179.4°	180.0°
C08	C09	C10	C05	0.2°	0.0°
C09	C08	C07	C06	0.3°	0.1°
C09	C08	C07	H6	179.7°	180.0°
C09	C08	C11	H8	161.7°	30.0°
C09	C08	C11	H9	79.3°	150.0°
C10	C09	C08	C07	0.4°	0.0°
C09	C10	N01	C05	179.6°	180.0°
C09	C10	N01	C02	179.6°	180.0°
C09	C10	C05	C06	0.7°	0.0°
C09	C10	C05	C04	179.5°	180.0°
C08	C07	C06	H6	180.0°	179.9°
C08	C07	C06	C05	1.2°	0.1°
C08	C07	C06	H5	178.8°	179.9°
C07	C08	C09	H7	179.6°	180.0°
C07	C08	C11	H8	18.4°	150.0°
C07	C08	C11	H9	100.5°	30.0°
C21	C26	C25	H14	180.0°	179.8°
C26	C21	C22	C23	0.3°	0.1°
C21	C26	C25	F27	179.7°	179.8°
C21	C26	C25	C24	0.2°	0.5°
C26	C21	N12	H10	48.0°	0.1°
C26	C21	C22	H11	179.7°	179.7°
C22	C21	C26	C25	0.2°	0.5°
C21	C22	C23	H11	180.0°	179.9°
C21	C22	C23	C24	0.1°	0.1°
C22	C21	N12	H10	131.6°	179.8°
C21	C22	C23	H12	180.0°	180.0°
C22	C21	C26	H14	179.8°	179.7°
C26	C25	F27	C24	179.9°	179.7°
C26	C25	C24	C23	0.6°	0.3°
C26	C25	C24	H13	179.4°	179.8°
C10	N01	C02	N02	179.3°	180.0°
C10	N01	C02	C03	1.2°	0.0°
N01	C10	C05	C06	179.7°	180.0°
N01	C10	C05	C04	1.0°	0.0°
N01	C10	C09	H7	0.6°	0.0°
C02	N01	C10	C05	0.0°	0.0°
N01	C02	N02	C03	179.5°	180.0°
N01	C02	C03	C04	1.3°	0.0°
N01	C02	N02	H1	0.0°	0.0°
N01	C02	N02	H2	120.0°	180.0°
N01	C02	C03	H3	178.7°	180.0°
C10	C05	C06	C07	1.4°	0.0°
C10	C05	C06	C04	178.8°	180.0°
C10	C05	C04	C03	0.8°	0.0°
C10	C05	C04	H4	179.2°	180.0°
C10	C05	C06	H5	178.7°	180.0°
C05	C10	C09	H7	179.8°	179.9°
C22	C23	C24	C25	0.6°	0.0°
C22	C23	C24	H12	180.0°	179.9°
C22	C23	C24	H13	179.5°	179.9°
C07	C06	C05	H5	180.0°	180.0°
C07	C06	C05	C04	179.9°	180.0°
F27	C25	C24	C23	179.3°	180.0°
F27	C25	C24	H13	0.7°	0.0°
F27	C25	C26	H14	0.3°	0.1°
C25	C24	C23	H13	180.0°	180.0°
C25	C24	C23	H12	179.5°	180.0°
C24	C25	C26	H14	179.8°	179.7°
N02	C02	C03	C04	179.2°	180.0°
C02	N02	H1	H2	120.0°	179.9°
N02	C02	C03	H3	0.8°	0.0°
C02	C03	C04	C05	0.3°	0.0°
C02	C03	C04	H3	180.0°	180.0°
C03	C02	N02	H1	179.5°	179.9°
C03	C02	N02	H2	59.5°	0.0°
C02	C03	C04	H4	179.7°	180.0°
C06	C05	C04	C03	179.5°	180.0°
C06	C05	C04	H4	0.5°	0.0°
C05	C06	C07	H6	178.8°	180.0°
C05	C04	C03	H4	180.0°	180.0°
C05	C04	C03	H3	179.7°	180.0°
C04	C05	C06	H5	0.1°	0.0°
C24	C23	C22	H11	179.9°	180.0°
H3	C03	C04	H4	0.4°	0.0°
H5	C06	C07	H6	1.1°	0.0°
H8	C11	N12	H10	141.4°	120.0°
H9	C11	N12	H10	99.7°	120.0°
H11	C22	C23	H12	0.0°	0.1°
H12	C23	C24	H13	0.5°	0.0°

Release date:	2017-08-16
Definition date:	2017-05-23
Last modified:	2017-08-11
Release status:	REL
Processing site:	RCSB
Derived from:	5VUV