VFN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C26	sing	1.74Å	1.72Å
S20	C21	sing	1.76Å	1.79Å
S20	C19	sing	1.81Å	1.83Å
C26	C21	doub	1.39Å	1.41Å	Aromatic
C26	C25	sing	1.38Å	1.40Å	Aromatic
C21	C22	sing	1.39Å	1.40Å	Aromatic
O18	C17	doub	1.21Å	1.22Å
C19	C17	sing	1.51Å	1.51Å
C25	C24	doub	1.38Å	1.40Å	Aromatic
C17	N7	sing	1.35Å	1.40Å
C22	C23	doub	1.38Å	1.40Å	Aromatic
N7	C8	sing	1.47Å	1.45Å
N7	C6	sing	1.46Å	1.46Å
C24	C23	sing	1.38Å	1.41Å	Aromatic
C8	C9	sing	1.51Å	1.49Å
C6	C5	sing	1.51Å	1.48Å
C9	C14	doub	1.38Å	1.41Å	Aromatic
C9	C10	sing	1.38Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C5	O28	sing	1.35Å	1.36Å	Aromatic
C5	N4	doub	1.30Å	1.32Å	Aromatic
O28	C2	sing	1.35Å	1.37Å	Aromatic
C10	C11	doub	1.38Å	1.40Å	Aromatic
C13	C12	doub	1.40Å	1.40Å	Aromatic
N4	N3	sing	1.29Å	1.39Å	Aromatic
C2	N1	sing	1.38Å	1.37Å
C2	N3	doub	1.31Å	1.32Å	Aromatic
C11	C12	sing	1.40Å	1.40Å	Aromatic
C12	C15	sing	1.43Å	1.42Å
C15	N16	trip	1.14Å	1.16Å
C23	H1	sing	1.08Å	1.08Å
C24	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C22	H7	sing	1.08Å	1.08Å
C25	H8	sing	1.08Å	1.08Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å
N1	H15	sing	0.97Å	1.00Å
N1	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C26	C21	118.1°	120.1°
CL1	C26	C25	120.0°	120.1°
C21	S20	C19	102.7°	103.0°
S20	C21	C26	117.9°	120.0°
S20	C21	C22	123.9°	120.1°
S20	C19	C17	112.6°	109.5°
S20	C19	H13	108.7°	109.4°
S20	C19	H14	108.7°	109.5°
C21	C26	C25	121.8°	119.9°
C26	C21	C22	118.2°	119.8°
C26	C25	C24	119.1°	120.1°
C26	C25	H8	120.5°	119.9°
C21	C22	C23	120.8°	119.9°
C21	C22	H7	119.6°	120.0°
O18	C17	C19	120.9°	120.0°
O18	C17	N7	122.5°	120.0°
C19	C17	N7	116.7°	120.0°
C17	C19	H13	108.7°	109.5°
C17	C19	H14	108.7°	109.5°
C25	C24	C23	120.2°	120.2°
C25	C24	H2	119.9°	119.9°
C24	C25	H8	120.5°	120.0°
C17	N7	C8	116.3°	120.0°
C17	N7	C6	124.3°	120.0°
C22	C23	C24	119.9°	120.1°
C22	C23	H1	120.1°	120.0°
C23	C22	H7	119.6°	120.1°
C8	N7	C6	119.3°	120.0°
N7	C8	C9	113.3°	109.4°
N7	C8	H9	108.5°	109.5°
N7	C8	H10	108.5°	109.4°
N7	C6	C5	109.7°	109.5°
N7	C6	H11	109.4°	109.5°
N7	C6	H12	109.4°	109.4°
C24	C23	H1	120.1°	119.9°
C23	C24	H2	119.9°	119.9°
C8	C9	C14	121.6°	119.8°
C8	C9	C10	117.8°	119.8°
C9	C8	H9	108.5°	109.5°
C9	C8	H10	108.5°	109.5°
C6	C5	O28	116.5°	126.1°
C6	C5	N4	130.1°	126.3°
C5	C6	H11	109.4°	109.5°
C5	C6	H12	109.4°	109.4°
C14	C9	C10	120.5°	120.3°
C9	C14	C13	120.4°	120.1°
C9	C14	H6	119.8°	119.9°
C9	C10	C11	119.0°	120.1°
C9	C10	H5	120.5°	119.9°
C14	C13	C12	118.7°	119.9°
C14	C13	H4	120.7°	120.0°
C13	C14	H6	119.8°	119.9°
O28	C5	N4	113.4°	107.6°
C5	O28	C2	101.6°	106.3°
C5	N4	N3	106.0°	109.6°
O28	C2	N1	115.7°	126.4°
O28	C2	N3	113.2°	107.3°
C10	C11	C12	120.2°	119.9°
C10	C11	H3	119.9°	120.1°
C11	C10	H5	120.5°	119.9°
C13	C12	C11	121.2°	119.6°
C13	C12	C15	119.5°	120.2°
C12	C13	H4	120.7°	120.1°
N4	N3	C2	105.8°	109.3°
N1	C2	N3	131.1°	126.3°
C2	N1	H15	109.5°	120.0°
C2	N1	H16	109.5°	120.0°
C11	C12	C15	119.4°	120.2°
C12	C11	H3	119.9°	120.0°
C12	C15	N16	179.7°	180.0°
H9	C8	H10	109.5°	109.5°
H11	C6	H12	109.5°	109.5°
H13	C19	H14	109.5°	109.4°
H15	N1	H16	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C26	C21	S20	0.9°	0.0°
CL1	C26	C21	C25	180.0°	179.7°
CL1	C26	C21	C22	179.3°	180.0°
CL1	C26	C25	C24	179.4°	180.0°
CL1	C26	C25	H8	0.6°	0.1°
S20	C21	C26	C22	179.8°	180.0°
S20	C21	C26	C25	179.1°	179.7°
C21	S20	C19	C17	75.2°	180.0°
S20	C21	C22	C23	179.7°	180.0°
S20	C21	C22	H7	0.3°	0.0°
C21	S20	C19	H13	164.3°	60.0°
C21	S20	C19	H14	45.3°	59.9°
C19	S20	C21	C26	176.2°	180.0°
C19	S20	C21	C22	4.0°	0.0°
S20	C19	C17	O18	4.6°	0.1°
S20	C19	C17	H13	120.5°	120.0°
S20	C19	C17	H14	120.5°	120.1°
S20	C19	C17	N7	175.8°	180.0°
S20	C19	H13	H14	118.6°	120.0°
C21	C26	C25	C24	0.5°	0.2°
C26	C21	C22	C23	0.1°	0.0°
C26	C21	C22	H7	179.9°	180.0°
C21	C26	C25	H8	179.5°	179.8°
C25	C26	C21	C22	0.7°	0.3°
C26	C25	C24	H8	180.0°	180.0°
C26	C25	C24	C23	0.3°	0.1°
C26	C25	C24	H2	179.7°	180.0°
C21	C22	C23	H7	180.0°	180.0°
C21	C22	C23	C24	0.7°	0.3°
C21	C22	C23	H1	179.3°	179.9°
O18	C17	C19	N7	179.6°	179.9°
O18	C17	N7	C8	7.4°	0.1°
O18	C17	N7	C6	172.6°	180.0°
O18	C17	C19	H13	115.9°	120.0°
O18	C17	C19	H14	125.1°	120.0°
C19	C17	N7	C8	172.3°	180.0°
C19	C17	N7	C6	7.8°	0.1°
C17	C19	H13	H14	118.6°	120.0°
C25	C24	C23	C22	0.9°	0.4°
C25	C24	C23	H2	180.0°	179.9°
C25	C24	C23	H1	179.1°	180.0°
C17	N7	C8	C6	179.9°	179.9°
C17	N7	C8	C9	102.0°	90.1°
C17	N7	C6	C5	97.4°	90.0°
C17	N7	C8	H9	18.6°	29.9°
C17	N7	C8	H10	137.4°	150.0°
C17	N7	C6	H11	142.5°	30.1°
C17	N7	C6	H12	22.6°	150.1°
N7	C17	C19	H13	63.7°	60.1°
N7	C17	C19	H14	55.3°	59.9°
C22	C23	C24	H1	180.0°	179.6°
C22	C23	C24	H2	179.1°	179.7°
N7	C8	C9	H9	120.6°	120.0°
N7	C8	C9	H10	120.6°	119.9°
C8	N7	C6	C5	82.5°	89.9°
N7	C8	C9	C14	36.3°	90.0°
N7	C8	C9	C10	141.8°	90.4°
N7	C8	H9	H10	118.3°	120.0°
C8	N7	C6	H11	37.6°	150.0°
C8	N7	C6	H12	157.5°	30.0°
C6	N7	C8	C9	77.9°	90.0°
N7	C6	C5	H11	120.0°	120.1°
N7	C6	C5	H12	120.1°	119.9°
N7	C6	C5	O28	71.6°	90.0°
N7	C6	C5	N4	106.3°	90.3°
C6	N7	C8	H9	161.5°	150.0°
C6	N7	C8	H10	42.6°	29.9°
N7	C6	H11	H12	119.9°	120.0°
C24	C23	C22	H7	179.3°	179.7°
C23	C24	C25	H8	179.7°	179.9°
C8	C9	C14	C10	178.1°	179.7°
C8	C9	C14	C13	176.8°	180.0°
C8	C9	C10	C11	178.5°	179.8°
C8	C9	C10	H5	1.5°	0.4°
C8	C9	C14	H6	3.2°	0.6°
C9	C8	H9	H10	118.2°	120.0°
C6	C5	O28	N4	178.3°	179.7°
C6	C5	O28	C2	178.3°	179.7°
C6	C5	N4	N3	178.2°	179.7°
C5	C6	H11	H12	119.9°	120.0°
C9	C14	C13	H6	180.0°	179.5°
C14	C9	C10	C11	0.3°	0.1°
C9	C14	C13	C12	1.9°	0.5°
C9	C14	C13	H4	178.1°	180.0°
C14	C9	C10	H5	179.7°	180.0°
C14	C9	C8	H9	84.2°	150.0°
C14	C9	C8	H10	156.9°	30.0°
C10	C9	C14	C13	1.3°	0.3°
C9	C10	C11	H5	180.0°	179.9°
C9	C10	C11	C12	1.3°	0.1°
C9	C10	C11	H3	178.7°	179.8°
C10	C9	C14	H6	178.7°	179.8°
C10	C9	C8	H9	97.6°	29.7°
C10	C9	C8	H10	21.3°	149.7°
C14	C13	C12	H4	180.0°	179.5°
C14	C13	C12	C11	0.9°	0.6°
C14	C13	C12	C15	178.3°	179.5°
O28	C5	N4	N3	0.2°	0.0°
C5	O28	C2	N1	179.6°	180.0°
C5	O28	C2	N3	0.3°	0.0°
O28	C5	C6	H11	168.3°	30.0°
O28	C5	C6	H12	48.4°	150.0°
N4	C5	O28	C2	0.0°	0.0°
C5	N4	N3	C2	0.3°	0.0°
N4	C5	C6	H11	13.7°	149.6°
N4	C5	C6	H12	133.6°	29.6°
O28	C2	N3	N4	0.4°	0.0°
O28	C2	N1	N3	179.9°	180.0°
O28	C2	N1	H15	0.0°	179.9°
O28	C2	N1	H16	120.0°	0.0°
C10	C11	C12	C13	0.7°	0.4°
C10	C11	C12	H3	180.0°	179.7°
C10	C11	C12	C15	179.8°	179.7°
C13	C12	C11	C15	179.1°	180.0°
C13	C12	C15	N16	155.9°	176.9°
C13	C12	C11	H3	179.3°	180.0°
C12	C13	C14	H6	178.2°	180.0°
N4	N3	C2	N1	179.5°	180.0°
C2	N1	H15	H16	120.0°	179.9°
N3	C2	N1	H15	179.9°	0.1°
N3	C2	N1	H16	59.8°	180.0°
C11	C12	C15	N16	23.3°	3.1°
C11	C12	C13	H4	179.1°	180.0°
C12	C11	C10	H5	178.7°	180.0°
C15	C12	C11	H3	0.2°	0.0°
C15	C12	C13	H4	1.8°	0.0°
H1	C23	C24	H2	0.9°	0.1°
H1	C23	C22	H7	0.7°	0.0°
H2	C24	C25	H8	0.3°	0.0°
H3	C11	C10	H5	1.3°	0.3°
H4	C13	C14	H6	1.9°	0.5°

Release date:	2021-10-13
Definition date:	2021-05-18
Last modified:	2021-10-08
Release status:	REL
Processing site:	PDBE
Derived from:	7OK1