V1M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.53Å
C21	O20	sing	1.45Å	1.47Å
C2	C3	doub	1.38Å	1.34Å	Aromatic
C2	C9	sing	1.39Å	1.36Å	Aromatic
C3	C4	sing	1.39Å	1.44Å	Aromatic
C6	O5	sing	1.43Å	1.32Å
O20	C18	sing	1.35Å	1.39Å
O19	C18	doub	1.21Å	1.18Å
C18	C15	sing	1.48Å	1.51Å
C15	N16	doub	1.33Å	1.28Å	Aromatic
C15	C14	sing	1.39Å	1.36Å	Aromatic
O10	C9	sing	1.36Å	1.36Å
O10	C11	sing	1.43Å	1.44Å
C9	C8	doub	1.39Å	1.37Å	Aromatic
N16	C17	sing	1.31Å	1.34Å	Aromatic
C4	O5	sing	1.36Å	1.51Å
C4	C7	doub	1.39Å	1.29Å	Aromatic
C14	C13	doub	1.39Å	1.43Å	Aromatic
C17	C12	doub	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.39Å	1.35Å	Aromatic
C12	C11	sing	1.51Å	1.57Å
C8	C7	sing	1.38Å	1.42Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.08Å	1.08Å
C8	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C17	H14	sing	1.08Å	1.08Å
C21	H15	sing	1.09Å	1.10Å
C21	H16	sing	1.09Å	1.10Å
C21	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	119.9°	120.0°
C1	C2	C9	120.0°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.5°	109.5°
C21	O20	C18	113.8°	116.9°
O20	C21	H15	109.5°	109.5°
O20	C21	H16	109.5°	109.5°
O20	C21	H17	109.4°	109.5°
C3	C2	C9	120.1°	120.1°
C2	C3	C4	119.6°	120.0°
C2	C3	H4	120.2°	120.0°
C2	C9	O10	119.1°	120.0°
C2	C9	C8	120.5°	119.9°
C3	C4	O5	119.3°	120.0°
C3	C4	C7	120.6°	120.0°
C4	C3	H4	120.1°	120.0°
C6	O5	C4	113.1°	117.0°
O5	C6	H5	109.5°	109.4°
O5	C6	H6	109.5°	109.5°
O5	C6	H7	109.5°	109.5°
O20	C18	O19	119.7°	120.0°
O20	C18	C15	121.2°	120.0°
O19	C18	C15	119.1°	120.0°
C18	C15	N16	121.7°	119.7°
C18	C15	C14	117.9°	119.7°
N16	C15	C14	120.4°	120.6°
C15	N16	C17	122.5°	121.6°
C15	C14	C13	119.5°	119.1°
C15	C14	H13	120.3°	120.5°
C9	O10	C11	118.1°	117.0°
O10	C9	C8	120.4°	120.0°
O10	C11	C12	102.9°	109.5°
O10	C11	H10	111.1°	109.5°
O10	C11	H11	111.1°	109.5°
C9	C8	C7	119.8°	120.0°
C9	C8	H9	120.1°	119.9°
N16	C17	C12	120.6°	120.9°
N16	C17	H14	119.7°	119.5°
O5	C4	C7	120.2°	120.0°
C4	C7	C8	119.3°	120.0°
C4	C7	H8	120.3°	120.0°
C14	C13	C12	118.2°	118.4°
C14	C13	H12	120.9°	120.8°
C13	C14	H13	120.2°	120.4°
C17	C12	C13	118.8°	119.4°
C17	C12	C11	121.2°	120.3°
C12	C17	H14	119.7°	119.5°
C13	C12	C11	119.9°	120.3°
C12	C13	H12	120.9°	120.8°
C12	C11	H10	111.1°	109.4°
C12	C11	H11	111.1°	109.5°
C8	C7	H8	120.4°	120.0°
C7	C8	H9	120.1°	120.0°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H5	C6	H6	109.5°	109.4°
H5	C6	H7	109.4°	109.5°
H6	C6	H7	109.5°	109.5°
H10	C11	H11	109.5°	109.5°
H15	C21	H16	109.5°	109.4°
H15	C21	H17	109.5°	109.4°
H16	C21	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C9	180.0°	179.7°
C1	C2	C3	C4	179.8°	180.0°
C1	C2	C9	O10	0.3°	0.0°
C1	C2	C9	C8	179.8°	179.8°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.1°
C1	C2	C3	H4	0.2°	0.1°
C21	O20	C18	O19	117.7°	0.0°
C21	O20	C18	C15	62.0°	180.0°
O20	C21	H15	H16	120.0°	120.0°
O20	C21	H15	H17	120.0°	120.0°
O20	C21	H16	H17	120.0°	120.1°
C2	C3	C4	H4	180.0°	179.9°
C3	C2	C9	O10	179.7°	179.7°
C3	C2	C9	C8	0.2°	0.5°
C2	C3	C4	O5	179.8°	180.0°
C2	C3	C4	C7	0.2°	0.1°
C3	C2	C1	H1	90.0°	90.0°
C3	C2	C1	H2	150.0°	150.0°
C3	C2	C1	H3	30.0°	29.9°
C9	C2	C3	C4	0.2°	0.3°
C2	C9	O10	C8	179.5°	179.8°
C2	C9	O10	C11	154.0°	180.0°
C2	C9	C8	C7	0.6°	0.4°
C9	C2	C1	H1	90.0°	90.3°
C9	C2	C1	H2	30.0°	29.7°
C9	C2	C1	H3	150.0°	149.8°
C9	C2	C3	H4	179.8°	179.8°
C2	C9	C8	H9	179.4°	179.7°
C3	C4	O5	C6	4.4°	180.0°
C3	C4	O5	C7	180.0°	179.9°
C3	C4	C7	C8	0.2°	0.0°
C3	C4	C7	H8	179.8°	180.0°
C6	O5	C4	C7	175.6°	0.0°
O5	C6	H5	H6	120.0°	120.0°
O5	C6	H5	H7	120.0°	120.1°
O5	C6	H6	H7	120.0°	120.1°
O20	C18	O19	C15	179.7°	180.0°
O20	C18	C15	N16	1.3°	0.1°
O20	C18	C15	C14	179.4°	179.7°
C18	O20	C21	H15	180.0°	180.0°
C18	O20	C21	H16	60.0°	60.0°
C18	O20	C21	H17	60.0°	60.1°
O19	C18	C15	N16	179.0°	180.0°
O19	C18	C15	C14	0.4°	0.3°
C18	C15	N16	C14	179.4°	179.7°
C18	C15	N16	C17	179.5°	180.0°
C18	C15	C14	C13	179.3°	179.7°
C18	C15	C14	H13	0.7°	0.3°
N16	C15	C14	C13	0.1°	0.1°
C15	N16	C17	C12	0.5°	0.6°
N16	C15	C14	H13	179.9°	180.0°
C15	N16	C17	H14	179.5°	180.0°
C14	C15	N16	C17	0.2°	0.3°
C15	C14	C13	H13	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.1°
C15	C14	C13	H12	179.9°	180.0°
C9	O10	C11	C12	173.8°	180.0°
O10	C9	C8	C7	179.9°	179.8°
O10	C9	C8	H9	0.1°	0.1°
C9	O10	C11	H10	54.9°	60.0°
C9	O10	C11	H11	67.3°	60.0°
C11	O10	C9	C8	26.6°	0.2°
O10	C11	C12	C17	81.4°	90.3°
O10	C11	C12	C13	96.4°	90.0°
O10	C11	C12	H10	118.9°	120.0°
O10	C11	C12	H11	119.0°	120.0°
O10	C11	H10	H11	123.1°	120.0°
C9	C8	C7	C4	0.6°	0.2°
C9	C8	C7	H9	180.0°	179.8°
C9	C8	C7	H8	179.4°	179.8°
N16	C17	C12	H14	180.0°	179.4°
N16	C17	C12	C13	0.6°	0.6°
N16	C17	C12	C11	178.5°	179.7°
O5	C4	C7	C8	179.8°	180.0°
O5	C4	C3	H4	0.2°	0.1°
C4	O5	C6	H5	180.0°	180.0°
C4	O5	C6	H6	60.0°	60.0°
C4	O5	C6	H7	60.0°	60.0°
O5	C4	C7	H8	0.2°	0.0°
C4	C7	C8	H8	180.0°	180.0°
C7	C4	C3	H4	179.8°	180.0°
C4	C7	C8	H9	179.4°	179.9°
C14	C13	C12	C17	0.4°	0.3°
C14	C13	C12	H12	180.0°	179.9°
C14	C13	C12	C11	178.3°	180.0°
C17	C12	C13	C11	177.9°	179.6°
C17	C12	C11	H10	37.5°	149.7°
C17	C12	C11	H11	159.6°	29.7°
C17	C12	C13	H12	179.6°	179.7°
C13	C12	C11	H10	144.6°	30.0°
C13	C12	C11	H11	22.5°	150.0°
C12	C13	C14	H13	179.9°	180.0°
C13	C12	C17	H14	179.4°	180.0°
C12	C11	H10	H11	123.1°	120.0°
C11	C12	C13	H12	1.7°	0.1°
C11	C12	C17	H14	1.5°	0.4°
H1	C1	H2	H3	120.0°	119.9°
H5	C6	H6	H7	120.0°	120.0°
H8	C7	C8	H9	0.6°	0.1°
H12	C13	C14	H13	0.1°	0.0°
H15	C21	H16	H17	120.0°	119.9°

Release date:	2020-12-02
Definition date:	2020-06-12
Last modified:	2020-11-27
Release status:	REL
Processing site:	RCSB
Derived from:	6XDT