5T6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C23	sing	1.74Å	1.79Å
C23	C26	doub	1.38Å	1.39Å	Aromatic
C23	C18	sing	1.39Å	1.39Å	Aromatic
C26	N16	sing	1.32Å	1.34Å	Aromatic
C18	C15	doub	1.40Å	1.40Å	Aromatic
N16	C24	doub	1.32Å	1.34Å	Aromatic
N20	C3	sing	1.37Å	1.34Å
C15	C24	sing	1.39Å	1.40Å	Aromatic
C15	C13	sing	1.48Å	1.49Å
C3	N2	doub	1.30Å	1.26Å
C3	O6	sing	1.35Å	1.45Å
C13	C10	doub	1.39Å	1.39Å	Aromatic
C13	C28	sing	1.39Å	1.39Å	Aromatic
N2	C1	sing	1.48Å	1.48Å
C10	C5	sing	1.38Å	1.39Å	Aromatic
C28	C29	doub	1.38Å	1.40Å	Aromatic
O6	C7	sing	1.44Å	1.44Å
C5	C1	sing	1.51Å	1.51Å
C5	C27	doub	1.38Å	1.40Å	Aromatic
C1	C7	sing	1.55Å	1.53Å
C1	C4	sing	1.51Å	1.52Å
C17	C4	doub	1.38Å	1.39Å	Aromatic
C17	C19	sing	1.38Å	1.39Å	Aromatic
C29	C27	sing	1.38Å	1.40Å	Aromatic
C4	C9	sing	1.38Å	1.40Å	Aromatic
C19	C8	doub	1.39Å	1.39Å	Aromatic
C9	C12	doub	1.38Å	1.40Å	Aromatic
C8	C12	sing	1.39Å	1.39Å	Aromatic
C8	O11	sing	1.36Å	1.36Å
C12	C30	sing	1.51Å	1.51Å
O11	C14	sing	1.43Å	1.40Å
F21	C14	sing	1.40Å	1.36Å
F22	C14	sing	1.40Å	1.37Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C24	H5	sing	1.08Å	1.08Å
C26	H6	sing	1.08Å	1.08Å
C28	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.09Å	1.10Å
C30	H9	sing	1.09Å	1.10Å
C30	H10	sing	1.09Å	1.10Å
C30	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
N20	H14	sing	0.97Å	1.00Å
N20	H15	sing	0.97Å	1.00Å
C27	H16	sing	1.08Å	1.08Å
C29	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C23	C26	119.5°	120.4°
CL	C23	C18	120.7°	120.4°
C26	C23	C18	119.8°	119.2°
C23	C26	N16	120.2°	121.0°
C23	C26	H6	119.9°	119.5°
C23	C18	C15	118.6°	118.3°
C23	C18	H18	120.7°	120.9°
C26	N16	C24	122.2°	121.9°
N16	C26	H6	119.9°	119.5°
C18	C15	C24	119.3°	119.0°
C18	C15	C13	121.0°	120.5°
C15	C18	H18	120.7°	120.8°
N16	C24	C15	119.9°	120.6°
N16	C24	H5	120.1°	119.7°
N20	C3	N2	125.1°	123.0°
N20	C3	O6	124.1°	123.0°
C3	N20	H14	120.0°	120.0°
C3	N20	H15	120.0°	120.0°
C24	C15	C13	119.6°	120.5°
C15	C24	H5	120.1°	119.7°
C15	C13	C10	118.6°	120.1°
C15	C13	C28	121.1°	120.1°
N2	C3	O6	110.8°	113.9°
C3	N2	C1	111.2°	108.4°
C3	O6	C7	109.8°	107.6°
C10	C13	C28	120.3°	119.8°
C13	C10	C5	121.6°	119.9°
C13	C10	H3	119.2°	120.1°
C13	C28	C29	119.1°	119.9°
C13	C28	H7	120.4°	120.1°
N2	C1	C5	112.1°	110.9°
N2	C1	C7	105.5°	102.0°
N2	C1	C4	112.4°	111.0°
C10	C5	C1	120.3°	120.0°
C10	C5	C27	117.8°	120.1°
C5	C10	H3	119.2°	120.0°
C28	C29	C27	120.3°	120.2°
C29	C28	H7	120.5°	120.0°
C28	C29	H17	119.9°	120.0°
O6	C7	C1	102.6°	101.4°
O6	C7	H1	111.2°	111.0°
O6	C7	H2	111.2°	111.0°
C1	C5	C27	121.9°	120.0°
C5	C1	C7	108.2°	110.9°
C5	C1	C4	107.8°	110.8°
C5	C27	C29	120.9°	120.2°
C5	C27	H16	119.6°	119.9°
C7	C1	C4	110.9°	110.9°
C1	C7	H1	111.2°	111.0°
C1	C7	H2	111.1°	111.1°
C1	C4	C17	119.2°	119.9°
C1	C4	C9	122.3°	119.9°
C4	C17	C19	120.9°	120.1°
C17	C4	C9	118.5°	120.1°
C4	C17	H4	119.6°	120.0°
C17	C19	C8	120.3°	119.9°
C19	C17	H4	119.6°	119.9°
C17	C19	H13	119.8°	120.0°
C29	C27	H16	119.5°	119.9°
C27	C29	H17	119.8°	119.9°
C4	C9	C12	121.2°	120.0°
C4	C9	H12	119.4°	120.0°
C19	C8	C12	120.0°	119.9°
C19	C8	O11	116.7°	120.1°
C8	C19	H13	119.9°	120.0°
C9	C12	C8	119.1°	120.0°
C9	C12	C30	119.0°	120.0°
C12	C9	H12	119.4°	120.0°
C12	C8	O11	123.1°	120.1°
C8	C12	C30	121.9°	120.0°
C8	O11	C14	130.3°	117.0°
C12	C30	H9	109.5°	109.4°
C12	C30	H10	109.5°	109.5°
C12	C30	H11	109.5°	109.5°
O11	C14	F21	103.7°	109.5°
O11	C14	F22	111.4°	109.5°
O11	C14	H8	108.5°	109.5°
F21	C14	F22	114.9°	109.4°
F21	C14	H8	109.1°	109.5°
F22	C14	H8	109.0°	109.4°
H1	C7	H2	109.5°	110.9°
H9	C30	H10	109.4°	109.4°
H9	C30	H11	109.5°	109.5°
H10	C30	H11	109.5°	109.5°
H14	N20	H15	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C23	C26	C18	179.5°	179.1°
CL	C23	C26	N16	179.8°	180.0°
CL	C23	C18	C15	179.9°	179.7°
CL	C23	C26	H6	0.2°	0.6°
CL	C23	C18	H18	0.2°	0.4°
C23	C26	N16	H6	180.0°	179.5°
C26	C23	C18	C15	0.6°	0.6°
C23	C26	N16	C24	0.7°	0.6°
C26	C23	C18	H18	179.4°	179.5°
C18	C23	C26	N16	0.7°	0.9°
C23	C18	C15	H18	180.0°	179.9°
C23	C18	C15	C24	0.5°	0.0°
C23	C18	C15	C13	178.7°	179.7°
C18	C23	C26	H6	179.3°	179.6°
C26	N16	C24	C15	0.7°	0.0°
C26	N16	C24	H5	179.3°	180.0°
C18	C15	C24	N16	0.6°	0.3°
C18	C15	C24	C13	178.2°	179.7°
C18	C15	C13	C10	33.4°	179.7°
C18	C15	C13	C28	148.8°	0.3°
C18	C15	C24	H5	179.4°	179.7°
N16	C24	C15	H5	180.0°	180.0°
N16	C24	C15	C13	178.8°	180.0°
C24	N16	C26	H6	179.3°	179.9°
N20	C3	N2	O6	179.3°	179.9°
N20	C3	N2	C1	176.1°	179.5°
N20	C3	O6	C7	179.0°	162.7°
C3	N20	H14	H15	180.0°	179.9°
C24	C15	C13	C10	144.8°	0.0°
C24	C15	C13	C28	33.0°	180.0°
C24	C15	C18	H18	179.4°	180.0°
C15	C13	C10	C28	177.8°	180.0°
C15	C13	C10	C5	178.5°	180.0°
C15	C13	C28	C29	179.1°	180.0°
C15	C13	C10	H3	1.5°	0.0°
C13	C15	C24	H5	1.2°	0.0°
C15	C13	C28	H7	0.9°	0.0°
C13	C15	C18	H18	1.2°	0.3°
N2	C3	O6	C7	0.3°	17.2°
C3	N2	C1	C5	122.3°	103.1°
C3	N2	C1	C7	4.8°	15.1°
C3	N2	C1	C4	116.1°	133.3°
N2	C3	N20	H14	0.0°	0.1°
N2	C3	N20	H15	180.0°	180.0°
O6	C3	N2	C1	3.3°	0.4°
C3	O6	C7	C1	2.5°	24.9°
C3	O6	C7	H1	121.4°	142.9°
C3	O6	C7	H2	116.3°	93.2°
O6	C3	N20	H14	179.3°	180.0°
O6	C3	N20	H15	0.7°	0.1°
C13	C10	C5	H3	180.0°	180.0°
C10	C13	C28	C29	1.3°	0.0°
C13	C10	C5	C1	179.3°	180.0°
C13	C10	C5	C27	0.0°	0.2°
C10	C13	C28	H7	178.7°	180.0°
C28	C13	C10	C5	0.6°	0.0°
C13	C28	C29	H7	180.0°	180.0°
C13	C28	C29	C27	1.3°	0.3°
C28	C13	C10	H3	179.4°	180.0°
C13	C28	C29	H17	178.7°	180.0°
N2	C1	C5	C10	42.5°	16.1°
N2	C1	C7	O6	4.2°	23.5°
N2	C1	C5	C7	115.9°	112.6°
N2	C1	C5	C4	124.1°	123.7°
N2	C1	C5	C27	138.2°	163.7°
N2	C1	C7	C4	121.9°	118.2°
N2	C1	C4	C17	41.8°	24.3°
N2	C1	C4	C9	140.5°	155.3°
N2	C1	C7	H1	123.1°	141.5°
N2	C1	C7	H2	114.7°	94.6°
C10	C5	C1	C27	179.3°	179.8°
C10	C5	C1	C7	73.4°	128.7°
C10	C5	C1	C4	166.7°	107.6°
C10	C5	C27	C29	0.0°	0.4°
C10	C5	C27	H16	180.0°	179.7°
C28	C29	C27	C5	0.7°	0.5°
C28	C29	C27	H17	180.0°	179.8°
C28	C29	C27	H16	179.3°	179.7°
O6	C7	C1	C5	124.3°	94.7°
O6	C7	C1	H1	118.9°	118.0°
O6	C7	C1	H2	118.9°	118.1°
O6	C7	C1	C4	117.7°	141.7°
O6	C7	H1	H2	123.2°	124.0°
C5	C1	C7	C4	118.0°	123.6°
C5	C1	C4	C17	82.2°	99.3°
C1	C5	C27	C29	179.3°	179.8°
C5	C1	C4	C9	95.5°	81.0°
C5	C1	C7	H1	116.8°	23.3°
C5	C1	C7	H2	5.4°	147.3°
C1	C5	C10	H3	0.7°	0.0°
C1	C5	C27	H16	0.7°	0.1°
C27	C5	C1	C7	105.9°	51.1°
C27	C5	C1	C4	14.1°	72.6°
C5	C27	C29	H16	180.0°	179.8°
C27	C5	C10	H3	180.0°	179.8°
C5	C27	C29	H17	179.3°	179.8°
C7	C1	C4	C17	159.6°	137.0°
C7	C1	C4	C9	22.7°	42.7°
C1	C7	H1	H2	123.2°	124.0°
C1	C4	C17	C9	177.8°	179.7°
C1	C4	C17	C19	178.8°	179.7°
C1	C4	C9	C12	178.4°	179.7°
C4	C1	C7	H1	1.2°	100.3°
C4	C1	C7	H2	123.4°	23.7°
C1	C4	C17	H4	1.2°	0.3°
C1	C4	C9	H12	1.7°	0.3°
C4	C17	C19	H4	180.0°	179.9°
C4	C17	C19	C8	0.1°	0.1°
C17	C4	C9	C12	0.7°	0.0°
C17	C4	C9	H12	179.3°	179.9°
C4	C17	C19	H13	179.9°	180.0°
C19	C17	C4	C9	1.0°	0.0°
C17	C19	C8	H13	180.0°	180.0°
C17	C19	C8	C12	1.5°	0.1°
C17	C19	C8	O11	177.5°	180.0°
C27	C29	C28	H7	178.7°	179.8°
C4	C9	C12	H12	180.0°	179.9°
C4	C9	C12	C8	0.8°	0.1°
C4	C9	C12	C30	179.6°	180.0°
C9	C4	C17	H4	179.0°	179.9°
C19	C8	C12	C9	1.8°	0.1°
C19	C8	C12	O11	175.7°	179.9°
C19	C8	C12	C30	179.3°	180.0°
C19	C8	O11	C14	106.6°	0.1°
C8	C19	C17	H4	179.9°	180.0°
C9	C12	C8	C30	178.8°	179.9°
C9	C12	C8	O11	177.5°	180.0°
C9	C12	C30	H9	90.6°	90.0°
C9	C12	C30	H10	149.5°	30.0°
C9	C12	C30	H11	29.5°	150.0°
C12	C8	O11	C14	77.5°	180.0°
C8	C12	C30	H9	90.6°	90.1°
C8	C12	C30	H10	29.4°	150.0°
C8	C12	C30	H11	149.4°	29.9°
C8	C12	C9	H12	179.2°	180.0°
C12	C8	C19	H13	178.5°	180.0°
O11	C8	C12	C30	3.6°	0.1°
C8	O11	C14	F21	125.0°	60.0°
C8	O11	C14	F22	0.9°	60.0°
C8	O11	C14	H8	119.1°	179.9°
O11	C8	C19	H13	2.5°	0.1°
C12	C30	H9	H10	120.0°	120.0°
C12	C30	H9	H11	120.0°	120.0°
C12	C30	H10	H11	120.0°	120.0°
C30	C12	C9	H12	0.4°	0.1°
O11	C14	F21	F22	121.8°	120.0°
O11	C14	F21	H8	115.5°	120.0°
O11	C14	F22	H8	119.7°	120.0°
F21	C14	F22	H8	122.8°	120.0°
H4	C17	C19	H13	0.1°	0.1°
H7	C28	C29	H17	1.3°	0.0°
H9	C30	H10	H11	120.0°	120.1°
H16	C27	C29	H17	0.7°	0.1°

Release date:	2016-02-24
Definition date:	2015-11-27
Last modified:	2016-02-19
Release status:	REL
Processing site:	EBI
Derived from:	5EZZ