V0R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C15	doub	1.32Å	1.35Å	Aromatic
N2	C14	sing	1.32Å	1.35Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.39Å	1.36Å	Aromatic
C13	C17	sing	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.51Å	1.53Å
O3	C12	sing	1.43Å	1.40Å
C12	C8	sing	1.51Å	1.53Å
C8	C7	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C4	C1	sing	1.51Å	1.48Å
C6	C2	sing	1.48Å	1.53Å
C6	C11	doub	1.39Å	1.38Å	Aromatic
C1	C2	doub	1.37Å	1.36Å	Aromatic
C1	O1	sing	1.34Å	1.35Å	Aromatic
C2	C3	sing	1.42Å	1.37Å	Aromatic
O1	N1	sing	1.21Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C10	O2	sing	1.36Å	1.40Å
C3	N1	doub	1.30Å	1.33Å	Aromatic
C3	C5	sing	1.51Å	1.53Å
C11	H8	sing	1.08Å	1.08Å
C12	H11	sing	1.09Å	1.10Å
C14	H4	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
O2	H12	sing	0.97Å	0.95Å
O3	H13	sing	0.97Å	0.95Å
C16	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	N2	C14	118.7°	121.7°
N2	C15	C16	120.0°	120.8°
N2	C15	H14	120.0°	119.6°
N2	C14	C13	123.6°	120.8°
N2	C14	H4	118.2°	119.6°
C15	C16	C17	120.6°	119.1°
C16	C15	H14	120.0°	119.6°
C15	C16	H15	119.7°	120.5°
C14	C13	C17	116.5°	119.2°
C14	C13	C12	123.8°	120.4°
C13	C14	H4	118.2°	119.7°
C16	C17	C13	120.6°	118.4°
C17	C16	H15	119.7°	120.4°
C16	C17	H16	119.7°	120.8°
C17	C13	C12	119.7°	120.4°
C13	C17	H16	119.7°	120.8°
C13	C12	O3	109.4°	109.5°
C13	C12	C8	109.0°	109.5°
C13	C12	H11	109.0°	109.5°
O3	C12	C8	109.7°	109.5°
O3	C12	H11	110.8°	109.5°
C12	O3	H13	109.5°	113.9°
C12	C8	C7	119.7°	119.9°
C12	C8	C9	120.4°	119.9°
C8	C12	H11	108.9°	109.4°
C7	C8	C9	120.0°	120.2°
C8	C7	C6	120.1°	120.0°
C8	C7	H9	119.9°	120.0°
C8	C9	C10	120.0°	120.2°
C8	C9	H10	120.0°	120.0°
C7	C6	C2	119.6°	120.1°
C7	C6	C11	119.9°	119.8°
C6	C7	H9	119.9°	120.0°
C9	C10	C11	120.0°	120.0°
C9	C10	O2	120.0°	120.0°
C10	C9	H10	120.0°	119.9°
C4	C1	C2	126.2°	126.9°
C4	C1	O1	125.6°	126.9°
C1	C4	H1	109.5°	109.4°
C1	C4	H2	109.4°	109.4°
C1	C4	H3	109.5°	109.4°
C2	C6	C11	120.5°	120.1°
C6	C2	C1	126.3°	128.1°
C6	C2	C3	126.9°	128.2°
C6	C11	C10	120.0°	119.8°
C6	C11	H8	120.0°	120.1°
C2	C1	O1	108.2°	106.2°
C1	C2	C3	106.8°	103.7°
C1	O1	N1	108.6°	111.9°
C2	C3	N1	109.8°	106.3°
C2	C3	C5	130.5°	126.9°
O1	N1	C3	106.6°	111.9°
C11	C10	O2	120.0°	120.0°
C10	C11	H8	120.0°	120.1°
C10	O2	H12	109.5°	114.1°
N1	C3	C5	119.6°	126.9°
C3	C5	H6	109.5°	109.4°
C3	C5	H7	109.5°	109.5°
C3	C5	H5	109.5°	109.5°
H1	C4	H2	109.5°	109.5°
H1	C4	H3	109.5°	109.5°
H2	C4	H3	109.5°	109.5°
H6	C5	H7	109.4°	109.5°
H6	C5	H5	109.5°	109.5°
H7	C5	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C15	C16	H14	180.0°	179.5°
C15	N2	C14	C13	0.0°	0.0°
N2	C15	C16	C17	0.0°	0.5°
C15	N2	C14	H4	180.0°	180.0°
N2	C15	C16	H15	180.0°	179.5°
C14	N2	C15	C16	0.0°	0.3°
N2	C14	C13	H4	180.0°	180.0°
N2	C14	C13	C17	0.0°	0.0°
N2	C14	C13	C12	180.0°	179.8°
C14	N2	C15	H14	180.0°	179.8°
C15	C16	C17	H15	180.0°	180.0°
C15	C16	C17	C13	0.0°	0.4°
C15	C16	C17	H16	180.0°	179.5°
C14	C13	C17	C16	0.0°	0.2°
C14	C13	C17	C12	180.0°	179.8°
C14	C13	C12	O3	7.9°	34.7°
C14	C13	C12	C8	127.9°	85.3°
C14	C13	C12	H11	113.4°	154.8°
C14	C13	C17	H16	180.0°	179.7°
C16	C17	C13	H16	180.0°	179.9°
C16	C17	C13	C12	180.0°	180.0°
C17	C16	C15	H14	180.0°	180.0°
C17	C13	C12	O3	172.1°	145.0°
C17	C13	C12	C8	52.1°	95.0°
C17	C13	C12	H11	66.7°	25.0°
C17	C13	C14	H4	180.0°	180.0°
C13	C17	C16	H15	180.0°	179.6°
C13	C12	O3	C8	119.6°	120.0°
C13	C12	O3	H11	120.2°	120.0°
C13	C12	C8	H11	118.8°	120.0°
C13	C12	C8	C7	73.6°	100.0°
C13	C12	C8	C9	106.3°	79.7°
C12	C13	C14	H4	0.0°	0.3°
C13	C12	O3	H13	180.0°	60.0°
C12	C13	C17	H16	0.0°	0.1°
O3	C12	C8	H11	121.4°	120.0°
O3	C12	C8	C7	46.2°	140.0°
O3	C12	C8	C9	133.9°	40.3°
C12	C8	C7	C9	179.9°	179.7°
C12	C8	C7	C6	179.9°	180.0°
C12	C8	C9	C10	180.0°	179.7°
C12	C8	C7	H9	0.1°	0.0°
C12	C8	C9	H10	0.0°	0.0°
C8	C12	O3	H13	60.4°	60.0°
C8	C7	C6	H9	180.0°	180.0°
C7	C8	C9	C10	0.1°	0.5°
C8	C7	C6	C2	179.9°	180.0°
C8	C7	C6	C11	0.2°	0.0°
C7	C8	C12	H11	167.6°	20.0°
C7	C8	C9	H10	179.9°	179.7°
C9	C8	C7	C6	0.2°	0.3°
C8	C9	C10	H10	180.0°	179.8°
C8	C9	C10	C11	0.1°	0.5°
C8	C9	C10	O2	179.9°	179.7°
C9	C8	C12	H11	12.5°	160.3°
C9	C8	C7	H9	179.8°	179.8°
C7	C6	C2	C11	179.7°	180.0°
C7	C6	C2	C1	49.1°	115.0°
C7	C6	C2	C3	130.5°	65.0°
C7	C6	C11	C10	0.1°	0.0°
C7	C6	C11	H8	179.9°	180.0°
C9	C10	C11	C6	0.1°	0.2°
C9	C10	C11	O2	180.0°	179.8°
C9	C10	C11	H8	179.9°	179.7°
C9	C10	O2	H12	180.0°	90.2°
C4	C1	C2	C6	0.4°	0.3°
C4	C1	C2	O1	179.7°	179.7°
C4	C1	C2	C3	180.0°	179.8°
C4	C1	O1	N1	179.8°	179.8°
C1	C4	H1	H2	120.0°	120.0°
C1	C4	H1	H3	120.0°	119.9°
C1	C4	H2	H3	120.0°	119.9°
C6	C2	C1	C3	179.6°	180.0°
C6	C2	C1	O1	179.8°	180.0°
C2	C6	C11	C10	179.9°	180.0°
C6	C2	C3	N1	179.9°	180.0°
C6	C2	C3	C5	0.5°	0.0°
C2	C6	C11	H8	0.1°	0.0°
C2	C6	C7	H9	0.1°	0.0°
C11	C6	C2	C1	131.2°	65.0°
C11	C6	C2	C3	49.3°	115.0°
C6	C11	C10	H8	180.0°	180.0°
C6	C11	C10	O2	179.9°	180.0°
C11	C6	C7	H9	179.8°	180.0°
C2	C1	O1	N1	0.1°	0.0°
C1	C2	C3	N1	0.3°	0.0°
C1	C2	C3	C5	179.9°	180.0°
C2	C1	C4	H1	179.7°	90.0°
C2	C1	C4	H2	59.7°	150.0°
C2	C1	C4	H3	60.3°	30.0°
O1	C1	C2	C3	0.2°	0.0°
C1	O1	N1	C3	0.1°	0.0°
O1	C1	C4	H1	0.0°	89.7°
O1	C1	C4	H2	120.0°	30.3°
O1	C1	C4	H3	120.0°	150.3°
C2	C3	N1	O1	0.3°	0.0°
C2	C3	N1	C5	179.7°	180.0°
C2	C3	C5	H6	179.6°	90.0°
C2	C3	C5	H7	60.4°	149.9°
C2	C3	C5	H5	59.5°	29.9°
O1	N1	C3	C5	179.9°	180.0°
C11	C10	C9	H10	179.9°	179.7°
C11	C10	O2	H12	0.0°	90.0°
O2	C10	C11	H8	0.1°	0.1°
O2	C10	C9	H10	0.1°	0.1°
N1	C3	C5	H6	0.0°	90.0°
N1	C3	C5	H7	120.0°	30.0°
N1	C3	C5	H5	120.0°	150.0°
C3	C5	H6	H7	120.0°	120.0°
C3	C5	H6	H5	120.0°	120.0°
C3	C5	H7	H5	120.0°	120.0°
H11	C12	O3	H13	59.9°	180.0°
H14	C15	C16	H15	0.0°	0.0°
H1	C4	H2	H3	120.0°	120.1°
H6	C5	H7	H5	120.0°	120.0°
H15	C16	C17	H16	0.0°	0.6°

Release date:	2023-08-02
Definition date:	2023-02-20
Last modified:	2023-07-28
Release status:	REL
Processing site:	PDBE
Derived from:	8CKF