VRW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL2	C16	sing	1.74Å	0.00Å
C14	O2	sing	1.43Å	0.00Å
C14	C12	sing	1.51Å	0.00Å
O2	C15	sing	1.36Å	0.00Å
C11	C12	doub	1.38Å	0.00Å	Aromatic
C11	C10	sing	1.39Å	0.00Å	Aromatic
C16	C15	doub	1.39Å	0.00Å	Aromatic
C16	C17	sing	1.38Å	0.00Å	Aromatic
C15	C20	sing	1.39Å	0.00Å	Aromatic
C12	C13	sing	1.39Å	0.00Å	Aromatic
N3	C10	sing	1.40Å	0.00Å
C17	C18	doub	1.38Å	0.00Å	Aromatic
C10	C9	doub	1.38Å	0.00Å	Aromatic
C20	CL1	sing	1.74Å	0.00Å
C20	C19	doub	1.38Å	0.00Å	Aromatic
C13	O1	sing	1.35Å	0.00Å	Aromatic
C13	C8	doub	1.40Å	0.00Å	Aromatic
O1	C7	sing	1.35Å	0.00Å	Aromatic
C18	C19	sing	1.38Å	0.00Å	Aromatic
C18	C21	sing	1.51Å	0.00Å
N2	C22	sing	1.47Å	0.00Å
C9	C8	sing	1.40Å	0.00Å	Aromatic
C8	N1	sing	1.36Å	0.00Å	Aromatic
C22	C21	sing	1.53Å	0.00Å
C22	C23	sing	1.51Å	0.00Å
C7	N1	doub	1.31Å	0.00Å	Aromatic
C7	C4	sing	1.48Å	0.00Å
C5	C4	doub	1.40Å	0.00Å	Aromatic
C5	C6	sing	1.38Å	0.00Å	Aromatic
C23	O3	doub	1.21Å	0.00Å
C23	O4	sing	1.34Å	0.00Å
C4	C3	sing	1.40Å	0.00Å	Aromatic
C6	C1	doub	1.38Å	0.00Å	Aromatic
C3	C2	doub	1.38Å	0.00Å	Aromatic
C1	C2	sing	1.38Å	0.00Å	Aromatic
N3	H1	sing	0.97Å	0.00Å
N3	H2	sing	0.97Å	0.00Å
C5	H3	sing	1.08Å	0.00Å
C6	H4	sing	1.08Å	0.00Å
C2	H5	sing	1.08Å	0.00Å
C1	H6	sing	1.08Å	0.00Å
C3	H7	sing	1.08Å	0.00Å
C9	H8	sing	1.08Å	0.00Å
C11	H9	sing	1.08Å	0.00Å
C14	H10	sing	1.09Å	0.00Å
C14	H11	sing	1.09Å	0.00Å
C17	H12	sing	1.08Å	0.00Å
C19	H13	sing	1.08Å	0.00Å
C21	H14	sing	1.09Å	0.00Å
C21	H15	sing	1.09Å	0.00Å
C22	H16	sing	1.09Å	0.00Å
O4	H17	sing	0.97Å	0.00Å
N2	H18	sing	1.01Å	0.00Å
N2	H19	sing	1.01Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL2	C16	C15	90.0°	120.1°
CL2	C16	C17	90.0°	120.0°
O2	C14	C12	90.0°	109.5°
C14	O2	C15	90.0°	117.0°
O2	C14	H10	90.0°	109.4°
O2	C14	H11	90.0°	109.5°
C14	C12	C11	90.0°	120.0°
C14	C12	C13	90.0°	120.0°
C12	C14	H10	90.0°	109.5°
C12	C14	H11	90.0°	109.5°
O2	C15	C16	90.0°	120.1°
O2	C15	C20	90.0°	120.0°
C12	C11	C10	90.0°	120.4°
C11	C12	C13	90.0°	120.0°
C12	C11	H9	90.0°	119.8°
C11	C10	N3	90.0°	119.9°
C11	C10	C9	90.0°	120.3°
C10	C11	H9	90.0°	119.8°
C15	C16	C17	90.0°	119.9°
C16	C15	C20	90.0°	119.9°
C16	C17	C18	90.0°	120.1°
C16	C17	H12	90.0°	120.0°
C15	C20	CL1	90.0°	120.1°
C15	C20	C19	90.0°	119.9°
C12	C13	O1	90.0°	133.7°
C12	C13	C8	90.0°	119.9°
N3	C10	C9	90.0°	119.8°
C10	N3	H1	90.0°	120.0°
C10	N3	H2	90.0°	119.9°
C17	C18	C19	90.0°	120.2°
C17	C18	C21	90.0°	119.9°
C18	C17	H12	90.0°	120.0°
C10	C9	C8	90.0°	119.7°
C10	C9	H8	90.0°	120.1°
CL1	C20	C19	90.0°	120.0°
C20	C19	C18	90.0°	120.0°
C20	C19	H13	90.0°	120.0°
O1	C13	C8	90.0°	106.4°
C13	O1	C7	90.0°	108.1°
C13	C8	C9	90.0°	119.7°
C13	C8	N1	90.0°	106.7°
O1	C7	N1	90.0°	110.0°
O1	C7	C4	90.0°	125.0°
C19	C18	C21	90.0°	119.9°
C18	C19	H13	90.0°	120.0°
C18	C21	C22	90.0°	109.4°
C18	C21	H14	90.0°	109.5°
C18	C21	H15	90.0°	109.5°
N2	C22	C21	90.0°	109.5°
N2	C22	C23	90.0°	109.5°
N2	C22	H16	90.0°	109.5°
C22	N2	H18	90.0°	111.0°
C22	N2	H19	90.0°	111.0°
C9	C8	N1	90.0°	133.6°
C8	C9	H8	90.0°	120.2°
C8	N1	C7	90.0°	108.8°
C21	C22	C23	90.0°	109.4°
C22	C21	H14	90.0°	109.5°
C22	C21	H15	90.0°	109.4°
C21	C22	H16	90.0°	109.5°
C22	C23	O3	90.0°	120.0°
C22	C23	O4	90.0°	120.0°
C23	C22	H16	90.0°	109.5°
N1	C7	C4	90.0°	124.9°
C7	C4	C5	90.0°	120.1°
C7	C4	C3	90.0°	120.2°
C4	C5	C6	90.0°	119.9°
C5	C4	C3	90.0°	119.7°
C4	C5	H3	90.0°	120.1°
C5	C6	C1	90.0°	120.1°
C6	C5	H3	90.0°	120.1°
C5	C6	H4	90.0°	119.9°
O3	C23	O4	90.0°	120.0°
C23	O4	H17	90.0°	117.0°
C4	C3	C2	90.0°	119.9°
C4	C3	H7	90.0°	120.0°
C6	C1	C2	90.0°	120.3°
C1	C6	H4	90.0°	119.9°
C6	C1	H6	90.0°	119.8°
C3	C2	C1	90.0°	120.2°
C3	C2	H5	90.0°	119.9°
C2	C3	H7	90.0°	120.1°
C1	C2	H5	90.0°	119.9°
C2	C1	H6	90.0°	119.9°
H1	N3	H2	90.0°	120.0°
H10	C14	H11	90.0°	109.4°
H14	C21	H15	90.0°	109.5°
H18	N2	H19	90.0°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL2	C16	C15	O2	90.0°	0.1°
CL2	C16	C15	C17	90.0°	179.9°
CL2	C16	C15	C20	90.0°	179.8°
CL2	C16	C17	C18	90.0°	180.0°
CL2	C16	C17	H12	90.0°	0.0°
O2	C14	C12	H10	90.0°	120.0°
O2	C14	C12	H11	90.0°	120.0°
O2	C14	C12	C11	90.0°	0.0°
C14	O2	C15	C16	90.0°	89.7°
C14	O2	C15	C20	90.0°	90.0°
O2	C14	C12	C13	90.0°	179.9°
O2	C14	H10	H11	90.0°	120.0°
C12	C14	O2	C15	90.0°	179.9°
C14	C12	C11	C13	90.0°	179.9°
C14	C12	C11	C10	90.0°	180.0°
C14	C12	C13	O1	90.0°	0.1°
C14	C12	C13	C8	90.0°	179.9°
C14	C12	C11	H9	90.0°	0.1°
C12	C14	H10	H11	90.0°	120.1°
O2	C15	C16	C20	90.0°	179.7°
O2	C15	C16	C17	90.0°	180.0°
O2	C15	C20	CL1	90.0°	0.0°
O2	C15	C20	C19	90.0°	179.7°
C15	O2	C14	H10	90.0°	60.0°
C15	O2	C14	H11	90.0°	60.0°
C12	C11	C10	H9	90.0°	179.9°
C12	C11	C10	N3	90.0°	180.0°
C12	C11	C10	C9	90.0°	0.1°
C11	C12	C13	O1	90.0°	179.9°
C11	C12	C13	C8	90.0°	0.1°
C11	C12	C14	H10	90.0°	120.0°
C11	C12	C14	H11	90.0°	120.0°
C10	C11	C12	C13	90.0°	0.1°
C11	C10	N3	C9	90.0°	179.9°
C11	C10	C9	C8	90.0°	0.0°
C11	C10	N3	H1	90.0°	180.0°
C11	C10	N3	H2	90.0°	0.2°
C11	C10	C9	H8	90.0°	179.9°
C15	C16	C17	C18	90.0°	0.0°
C16	C15	C20	CL1	90.0°	179.7°
C16	C15	C20	C19	90.0°	0.6°
C15	C16	C17	H12	90.0°	180.0°
C17	C16	C15	C20	90.0°	0.3°
C16	C17	C18	H12	90.0°	180.0°
C16	C17	C18	C19	90.0°	0.0°
C16	C17	C18	C21	90.0°	180.0°
C15	C20	CL1	C19	90.0°	179.8°
C15	C20	C19	C18	90.0°	0.5°
C15	C20	C19	H13	90.0°	179.7°
C12	C13	O1	C8	90.0°	180.0°
C12	C13	O1	C7	90.0°	180.0°
C12	C13	C8	C9	90.0°	0.0°
C12	C13	C8	N1	90.0°	180.0°
C13	C12	C11	H9	90.0°	180.0°
C13	C12	C14	H10	90.0°	60.1°
C13	C12	C14	H11	90.0°	59.9°
N3	C10	C9	C8	90.0°	179.9°
C10	N3	H1	H2	90.0°	179.9°
N3	C10	C9	H8	90.0°	0.0°
N3	C10	C11	H9	90.0°	0.1°
C17	C18	C19	C20	90.0°	0.3°
C17	C18	C19	C21	90.0°	179.9°
C17	C18	C21	C22	90.0°	90.0°
C17	C18	C19	H13	90.0°	179.9°
C17	C18	C21	H14	90.0°	150.0°
C17	C18	C21	H15	90.0°	29.9°
C10	C9	C8	C13	90.0°	0.0°
C10	C9	C8	H8	90.0°	179.9°
C10	C9	C8	N1	90.0°	180.0°
C9	C10	N3	H1	90.0°	0.1°
C9	C10	N3	H2	90.0°	180.0°
C9	C10	C11	H9	90.0°	180.0°
CL1	C20	C19	C18	90.0°	179.7°
CL1	C20	C19	H13	90.0°	0.1°
C20	C19	C18	H13	90.0°	179.8°
C20	C19	C18	C21	90.0°	179.8°
O1	C13	C8	C9	90.0°	180.0°
O1	C13	C8	N1	90.0°	0.0°
C13	O1	C7	N1	90.0°	0.0°
C13	O1	C7	C4	90.0°	180.0°
C8	C13	O1	C7	90.0°	0.0°
C13	C8	C9	N1	90.0°	179.9°
C13	C8	N1	C7	90.0°	0.0°
C13	C8	C9	H8	90.0°	180.0°
O1	C7	N1	C8	90.0°	0.0°
O1	C7	N1	C4	90.0°	180.0°
O1	C7	C4	C5	90.0°	0.3°
O1	C7	C4	C3	90.0°	180.0°
C19	C18	C21	C22	90.0°	90.0°
C19	C18	C17	H12	90.0°	180.0°
C19	C18	C21	H14	90.0°	30.0°
C19	C18	C21	H15	90.0°	150.0°
C18	C21	C22	N2	90.0°	65.0°
C18	C21	C22	H14	90.0°	120.0°
C18	C21	C22	H15	90.0°	119.9°
C18	C21	C22	C23	90.0°	175.0°
C21	C18	C17	H12	90.0°	0.0°
C21	C18	C19	H13	90.0°	0.0°
C18	C21	H14	H15	90.0°	120.0°
C18	C21	C22	H16	90.0°	55.0°
N2	C22	C21	C23	90.0°	120.0°
N2	C22	C21	H16	90.0°	120.0°
N2	C22	C23	H16	90.0°	120.0°
N2	C22	C23	O3	90.0°	20.0°
N2	C22	C23	O4	90.0°	160.1°
N2	C22	C21	H14	90.0°	175.0°
N2	C22	C21	H15	90.0°	55.0°
C22	N2	H18	H19	90.0°	124.0°
C9	C8	N1	C7	90.0°	180.0°
C8	N1	C7	C4	90.0°	180.0°
N1	C8	C9	H8	90.0°	0.1°
C21	C22	C23	H16	90.0°	120.0°
C21	C22	C23	O3	90.0°	100.0°
C21	C22	C23	O4	90.0°	79.9°
C22	C21	H14	H15	90.0°	120.0°
C21	C22	N2	H18	90.0°	60.0°
C21	C22	N2	H19	90.0°	64.0°
C22	C23	O3	O4	90.0°	179.9°
C23	C22	C21	H14	90.0°	55.0°
C23	C22	C21	H15	90.0°	65.1°
C22	C23	O4	H17	90.0°	180.0°
C23	C22	N2	H18	90.0°	60.0°
C23	C22	N2	H19	90.0°	176.0°
N1	C7	C4	C5	90.0°	179.7°
N1	C7	C4	C3	90.0°	0.0°
C7	C4	C5	C3	90.0°	179.7°
C7	C4	C5	C6	90.0°	179.7°
C7	C4	C3	C2	90.0°	179.8°
C7	C4	C5	H3	90.0°	0.3°
C7	C4	C3	H7	90.0°	0.3°
C4	C5	C6	H3	90.0°	180.0°
C4	C5	C6	C1	90.0°	0.0°
C5	C4	C3	C2	90.0°	0.1°
C4	C5	C6	H4	90.0°	180.0°
C5	C4	C3	H7	90.0°	180.0°
C6	C5	C4	C3	90.0°	0.0°
C5	C6	C1	H4	90.0°	180.0°
C5	C6	C1	C2	90.0°	0.0°
C5	C6	C1	H6	90.0°	180.0°
O3	C23	C22	H16	90.0°	140.0°
O3	C23	O4	H17	90.0°	0.1°
O4	C23	C22	H16	90.0°	40.1°
C4	C3	C2	H7	90.0°	180.0°
C4	C3	C2	C1	90.0°	0.0°
C3	C4	C5	H3	90.0°	180.0°
C4	C3	C2	H5	90.0°	179.9°
C6	C1	C2	C3	90.0°	0.0°
C6	C1	C2	H6	90.0°	180.0°
C1	C6	C5	H3	90.0°	179.9°
C6	C1	C2	H5	90.0°	180.0°
C3	C2	C1	H5	90.0°	180.0°
C3	C2	C1	H6	90.0°	180.0°
C2	C1	C6	H4	90.0°	180.0°
C1	C2	C3	H7	90.0°	180.0°
H3	C5	C6	H4	90.0°	0.0°
H4	C6	C1	H6	90.0°	0.0°
H5	C2	C1	H6	90.0°	0.1°
H5	C2	C3	H7	90.0°	0.1°
H14	C21	C22	H16	90.0°	65.0°
H15	C21	C22	H16	90.0°	175.0°
H16	C22	N2	H18	90.0°	180.0°
H16	C22	N2	H19	90.0°	56.0°

Release date:	2024-07-17
Definition date:	2023-08-10
Last modified:	2024-07-12
Release status:	REL
Processing site:	PDBJ