4G7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C6	doub	1.40Å	1.40Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.40Å	Aromatic
C12	C4	sing	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.51Å	1.53Å
C3	N1	sing	1.46Å	1.45Å
N1	C19	sing	1.35Å	1.35Å
O20	C19	doub	1.22Å	1.22Å
C19	C21	sing	1.47Å	1.51Å
C22	C21	doub	1.40Å	1.40Å	Aromatic
C22	C24	sing	1.38Å	1.39Å	Aromatic
C21	C30	sing	1.40Å	1.39Å	Aromatic
C24	C26	doub	1.39Å	1.39Å	Aromatic
O35	C33	doub	1.21Å	1.26Å
C30	O31	sing	1.36Å	1.40Å
C30	C28	doub	1.39Å	1.39Å	Aromatic
O31	C32	sing	1.43Å	1.44Å
C26	C28	sing	1.38Å	1.40Å	Aromatic
C26	F27	sing	1.35Å	1.33Å
C33	C32	sing	1.51Å	1.51Å
C33	O34	sing	1.34Å	1.26Å
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C24	H7	sing	1.08Å	1.08Å
C32	H8	sing	1.09Å	1.10Å
C32	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
C10	H11	sing	1.08Å	1.08Å
C22	H12	sing	1.08Å	1.08Å
C28	H13	sing	1.08Å	1.08Å
O34	H14	sing	0.97Å	0.95Å
C6	C1	sing	1.48Å	76.76Å
C1	O1	sing	1.35Å	0.00Å
C1	O2	doub	1.21Å	0.00Å
O1	H4	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C10	C11	120.2°	119.9°
C10	C6	C5	119.3°	119.7°
C6	C10	H11	119.9°	120.1°
C10	C6	C1	148.0°	120.2°
C10	C11	C12	120.1°	120.1°
C10	C11	H5	119.9°	120.0°
C11	C10	H11	119.9°	120.1°
C6	C5	C4	120.5°	119.9°
C6	C5	H3	119.8°	120.1°
C5	C6	C1	83.4°	120.2°
C11	C12	C4	120.0°	120.3°
C12	C11	H5	119.9°	119.9°
C11	C12	H6	120.0°	119.8°
C5	C4	C12	119.8°	120.2°
C5	C4	C3	119.0°	119.9°
C4	C5	H3	119.8°	120.1°
C12	C4	C3	121.2°	119.9°
C4	C12	H6	120.0°	119.9°
C4	C3	N1	108.3°	109.5°
C4	C3	H1	109.8°	109.5°
C4	C3	H2	109.8°	109.5°
C3	N1	C19	123.2°	119.9°
N1	C3	H1	109.8°	109.5°
N1	C3	H2	109.8°	109.5°
C3	N1	H10	118.4°	120.1°
N1	C19	O20	122.5°	120.0°
N1	C19	C21	114.4°	120.0°
C19	N1	H10	118.4°	120.0°
O20	C19	C21	123.1°	120.0°
C19	C21	C22	118.0°	120.2°
C19	C21	C30	121.7°	120.2°
C21	C22	C24	120.3°	119.9°
C22	C21	C30	120.3°	119.6°
C21	C22	H12	119.9°	120.0°
C22	C24	C26	119.0°	120.3°
C22	C24	H7	120.5°	119.8°
C24	C22	H12	119.9°	120.1°
C21	C30	O31	119.4°	120.1°
C21	C30	C28	119.7°	119.8°
C24	C26	C28	121.2°	120.3°
C24	C26	F27	120.0°	119.9°
C26	C24	H7	120.5°	119.9°
O35	C33	C32	118.1°	120.0°
O35	C33	O34	122.8°	120.0°
O31	C30	C28	120.9°	120.1°
C30	O31	C32	116.6°	117.0°
C30	C28	C26	119.5°	120.1°
C30	C28	H13	120.2°	120.0°
O31	C32	C33	111.7°	109.5°
O31	C32	H8	108.9°	109.5°
O31	C32	H9	108.9°	109.5°
C28	C26	F27	118.8°	119.8°
C26	C28	H13	120.2°	120.0°
C32	C33	O34	119.0°	120.1°
C33	C32	H8	108.9°	109.5°
C33	C32	H9	108.9°	109.4°
C33	O34	H14	109.5°	117.0°
H1	C3	H2	109.5°	109.4°
H8	C32	H9	109.5°	109.5°
C6	C1	O1	90.0°	120.0°
C6	C1	O2	90.0°	120.0°
O1	C1	O2	90.0°	120.0°
C1	O1	H4	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C10	C11	H11	180.0°	179.7°
C10	C6	C5	C1	156.1°	179.9°
C6	C10	C11	C12	0.1°	0.3°
C10	C6	C5	C4	0.1°	0.1°
C10	C6	C5	H3	180.0°	180.0°
C6	C10	C11	H5	179.9°	179.7°
C10	C6	C1	O1	90.0°	0.0°
C10	C6	C1	O2	90.0°	180.0°
C11	C10	C6	C5	0.1°	0.2°
C10	C11	C12	H5	180.0°	180.0°
C10	C11	C12	C4	0.0°	0.1°
C10	C11	C12	H6	180.0°	180.0°
C11	C10	C6	C1	130.7°	179.7°
C6	C5	C4	H3	180.0°	179.9°
C6	C5	C4	C12	0.0°	0.3°
C6	C5	C4	C3	179.9°	180.0°
C5	C6	C10	H11	179.9°	180.0°
C5	C6	C1	O1	90.0°	179.9°
C5	C6	C1	O2	90.0°	0.1°
C11	C12	C4	C5	0.0°	0.2°
C11	C12	C4	H6	180.0°	179.9°
C11	C12	C4	C3	179.9°	179.9°
C12	C11	C10	H11	179.9°	179.9°
C5	C4	C12	C3	179.9°	179.7°
C5	C4	C3	N1	60.5°	90.0°
C5	C4	C3	H1	179.7°	150.0°
C5	C4	C3	H2	59.3°	30.0°
C5	C4	C12	H6	180.0°	179.7°
C4	C5	C6	C1	156.2°	180.0°
C12	C4	C3	N1	119.6°	90.3°
C12	C4	C3	H1	0.2°	29.8°
C12	C4	C3	H2	120.5°	149.7°
C12	C4	C5	H3	180.0°	179.8°
C4	C12	C11	H5	180.0°	180.0°
C4	C3	N1	H1	119.8°	120.0°
C4	C3	N1	H2	119.8°	120.0°
C4	C3	N1	C19	157.1°	180.0°
C4	C3	H1	H2	120.6°	120.0°
C3	C4	C5	H3	0.1°	0.1°
C3	C4	C12	H6	0.1°	0.0°
C4	C3	N1	H10	22.9°	0.0°
C3	N1	C19	H10	180.0°	180.0°
C3	N1	C19	O20	1.2°	0.1°
C3	N1	C19	C21	179.6°	180.0°
N1	C3	H1	H2	120.6°	120.0°
N1	C19	O20	C21	179.1°	179.9°
N1	C19	C21	C22	50.7°	0.4°
N1	C19	C21	C30	127.6°	180.0°
C19	N1	C3	H1	83.1°	60.0°
C19	N1	C3	H2	37.3°	60.0°
O20	C19	C21	C22	130.1°	179.7°
O20	C19	C21	C30	51.6°	0.1°
O20	C19	N1	H10	178.8°	179.9°
C19	C21	C22	C30	178.3°	179.7°
C19	C21	C22	C24	179.3°	180.0°
C19	C21	C30	O31	1.0°	0.0°
C19	C21	C30	C28	179.2°	180.0°
C21	C19	N1	H10	0.4°	0.0°
C19	C21	C22	H12	0.7°	0.1°
C21	C22	C24	H12	180.0°	179.9°
C21	C22	C24	C26	0.5°	0.0°
C22	C21	C30	O31	179.3°	179.7°
C22	C21	C30	C28	0.9°	0.3°
C21	C22	C24	H7	179.5°	179.6°
C24	C22	C21	C30	1.0°	0.3°
C22	C24	C26	H7	180.0°	179.6°
C22	C24	C26	C28	0.0°	0.4°
C22	C24	C26	F27	179.4°	179.7°
C21	C30	O31	C28	179.8°	180.0°
C21	C30	O31	C32	166.9°	180.0°
C21	C30	C28	C26	0.4°	0.0°
C30	C21	C22	H12	179.0°	179.7°
C21	C30	C28	H13	179.6°	180.0°
C24	C26	C28	C30	0.0°	0.4°
C24	C26	C28	F27	179.5°	179.9°
C26	C24	C22	H12	179.4°	179.9°
C24	C26	C28	H13	180.0°	179.7°
O35	C33	C32	O31	27.0°	0.1°
O35	C33	C32	O34	179.8°	179.9°
O35	C33	C32	H8	147.4°	120.0°
O35	C33	C32	H9	93.3°	120.1°
O35	C33	O34	H14	0.0°	0.0°
O31	C30	C28	C26	179.8°	179.9°
C30	O31	C32	C33	89.3°	180.0°
C30	O31	C32	H8	31.0°	60.0°
C30	O31	C32	H9	150.3°	60.0°
O31	C30	C28	H13	0.2°	0.0°
C28	C30	O31	C32	12.9°	0.0°
C30	C28	C26	H13	180.0°	180.0°
C30	C28	C26	F27	179.5°	179.7°
O31	C32	C33	H8	120.3°	120.0°
O31	C32	C33	H9	120.3°	120.0°
O31	C32	C33	O34	153.2°	180.0°
O31	C32	H8	H9	119.0°	120.0°
C28	C26	C24	H7	180.0°	180.0°
F27	C26	C24	H7	0.6°	0.1°
F27	C26	C28	H13	0.5°	0.3°
C33	C32	H8	H9	119.0°	119.9°
C32	C33	O34	H14	179.7°	180.0°
O34	C33	C32	H8	32.9°	59.9°
O34	C33	C32	H9	86.5°	60.0°
H1	C3	N1	H10	96.9°	120.0°
H2	C3	N1	H10	142.7°	120.0°
H3	C5	C6	C1	23.9°	0.1°
H5	C11	C12	H6	0.1°	0.0°
H5	C11	C10	H11	0.1°	0.0°
H7	C24	C22	H12	0.6°	0.3°
H11	C10	C6	C1	49.3°	0.0°
C6	C1	O1	O2	90.0°	180.0°
C6	C1	O1	H4	90.0°	180.0°
O2	C1	O1	H4	90.0°	0.0°

Release date:	2016-03-23
Definition date:	2015-03-17
Last modified:	2016-03-18
Release status:	REL
Processing site:	EBI
Derived from:	4YS1