VTN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.46Å
C5	C6	sing	1.51Å	1.51Å
N1	C3	sing	1.35Å	1.35Å
C7	C6	doub	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C3	O1	doub	1.22Å	1.24Å
C3	C2	sing	1.47Å	1.48Å
C6	C18	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.33Å	1.31Å
C8	C9	doub	1.38Å	1.38Å	Aromatic
C18	C10	doub	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.39Å	1.39Å	Aromatic
C9	CL1	sing	1.74Å	1.73Å
C10	O2	sing	1.36Å	1.38Å
CL2	C13	sing	1.74Å	1.76Å
C12	C13	doub	1.38Å	1.37Å	Aromatic
C12	C11	sing	1.39Å	1.39Å	Aromatic
O2	C11	sing	1.36Å	1.39Å
C13	C14	sing	1.38Å	1.37Å	Aromatic
C11	C17	doub	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.40Å	1.40Å	Aromatic
C17	C15	sing	1.40Å	1.38Å	Aromatic
C15	C16	sing	1.43Å	1.44Å
C16	N2	trip	1.14Å	1.14Å
C18	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
N1	H11	sing	0.97Å	1.00Å
C7	H12	sing	1.08Å	1.08Å
C8	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	N1	114.6°	109.5°
C4	C5	C6	112.8°	109.5°
C5	C4	H7	108.2°	109.5°
C5	C4	H8	108.2°	109.4°
C4	C5	H9	108.6°	109.4°
C4	C5	H10	108.6°	109.5°
C4	N1	C3	124.9°	120.0°
N1	C4	H7	108.2°	109.4°
N1	C4	H8	108.2°	109.5°
C4	N1	H11	117.6°	120.0°
C5	C6	C7	121.3°	120.0°
C5	C6	C18	119.9°	120.0°
C6	C5	H9	108.6°	109.5°
C6	C5	H10	108.6°	109.5°
N1	C3	O1	123.2°	120.0°
N1	C3	C2	115.2°	120.0°
C3	N1	H11	117.5°	120.0°
C6	C7	C8	121.1°	120.1°
C7	C6	C18	118.8°	120.0°
C6	C7	H12	119.4°	119.9°
C7	C8	C9	119.2°	120.0°
C8	C7	H12	119.4°	120.0°
C7	C8	H13	120.4°	120.0°
O1	C3	C2	121.7°	120.1°
C3	C2	C1	122.3°	120.0°
C3	C2	H6	118.9°	120.0°
C6	C18	C10	120.5°	120.0°
C6	C18	H1	119.7°	120.0°
C2	C1	H4	120.0°	120.0°
C2	C1	H5	120.0°	120.0°
C1	C2	H6	118.8°	120.0°
C8	C9	C10	121.0°	119.9°
C8	C9	CL1	119.6°	120.0°
C9	C8	H13	120.4°	120.0°
C18	C10	C9	118.9°	119.9°
C18	C10	O2	123.5°	120.0°
C10	C18	H1	119.8°	120.1°
C10	C9	CL1	119.1°	120.0°
C9	C10	O2	116.7°	120.1°
C10	O2	C11	120.3°	118.0°
CL2	C13	C12	117.9°	119.9°
CL2	C13	C14	119.1°	119.9°
C13	C12	C11	118.8°	120.2°
C12	C13	C14	123.0°	120.2°
C13	C12	H14	120.6°	119.9°
C12	C11	O2	122.1°	120.0°
C12	C11	C17	119.3°	120.0°
C11	C12	H14	120.6°	119.9°
O2	C11	C17	118.5°	119.9°
C13	C14	C15	118.2°	119.9°
C13	C14	H3	120.9°	120.0°
C11	C17	C15	120.8°	119.8°
C11	C17	H2	119.6°	120.1°
C14	C15	C17	119.7°	119.8°
C14	C15	C16	119.8°	120.1°
C15	C14	H3	120.9°	120.0°
C17	C15	C16	120.5°	120.1°
C15	C17	H2	119.6°	120.1°
C15	C16	N2	177.1°	179.9°
H4	C1	H5	120.0°	120.0°
H7	C4	H8	109.5°	109.5°
H9	C5	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	N1	H7	120.8°	120.0°
C5	C4	N1	H8	120.8°	120.0°
C4	C5	C6	H9	120.5°	120.0°
C4	C5	C6	H10	120.5°	120.1°
C5	C4	N1	C3	59.4°	180.0°
C4	C5	C6	C7	66.1°	90.0°
C4	C5	C6	C18	113.8°	90.1°
C5	C4	H7	H8	117.7°	120.0°
C4	C5	H9	H10	118.5°	120.0°
C5	C4	N1	H11	120.6°	0.0°
N1	C4	C5	C6	51.4°	180.0°
C4	N1	C3	H11	180.0°	180.0°
C4	N1	C3	O1	5.8°	0.0°
C4	N1	C3	C2	174.5°	180.0°
N1	C4	H7	H8	117.6°	120.0°
N1	C4	C5	H9	171.9°	60.0°
N1	C4	C5	H10	69.1°	59.9°
C5	C6	C7	C18	179.8°	179.9°
C5	C6	C7	C8	179.5°	180.0°
C5	C6	C18	C10	177.4°	180.0°
C5	C6	C18	H1	2.6°	0.3°
C6	C5	C4	H7	172.1°	60.0°
C6	C5	C4	H8	69.4°	60.0°
C6	C5	H9	H10	118.4°	120.0°
C5	C6	C7	H12	0.4°	0.1°
N1	C3	O1	C2	179.7°	180.0°
N1	C3	C2	C1	178.7°	180.0°
N1	C3	C2	H6	1.3°	0.1°
C3	N1	C4	H7	61.3°	60.0°
C3	N1	C4	H8	179.8°	60.0°
C6	C7	C8	H12	180.0°	180.0°
C6	C7	C8	C9	1.1°	0.3°
C7	C6	C18	C10	2.7°	0.1°
C7	C6	C18	H1	177.3°	179.7°
C7	C6	C5	H9	54.4°	30.0°
C7	C6	C5	H10	173.4°	149.9°
C6	C7	C8	H13	178.9°	180.0°
C8	C7	C6	C18	0.3°	0.0°
C7	C8	C9	H13	180.0°	179.8°
C7	C8	C9	C10	5.6°	0.5°
C7	C8	C9	CL1	178.8°	180.0°
O1	C3	C2	C1	1.6°	0.0°
O1	C3	C2	H6	178.5°	180.0°
O1	C3	N1	H11	174.2°	180.0°
C3	C2	C1	H6	180.0°	180.0°
C3	C2	C1	H4	0.0°	0.0°
C3	C2	C1	H5	180.0°	180.0°
C2	C3	N1	H11	5.5°	0.0°
C6	C18	C10	H1	180.0°	179.7°
C6	C18	C10	C9	7.1°	0.3°
C6	C18	C10	O2	176.1°	179.8°
C18	C6	C5	H9	125.7°	150.0°
C18	C6	C5	H10	6.8°	30.0°
C18	C6	C7	H12	179.7°	180.0°
C2	C1	H4	H5	180.0°	180.0°
C8	C9	C10	C18	8.5°	0.5°
C8	C9	C10	CL1	173.2°	179.4°
C8	C9	C10	O2	178.3°	179.5°
C9	C8	C7	H12	178.9°	179.7°
C18	C10	C9	O2	169.8°	179.9°
C18	C10	C9	CL1	178.3°	180.0°
C18	C10	O2	C11	56.1°	0.6°
C9	C10	O2	C11	134.6°	179.4°
C9	C10	C18	H1	172.9°	180.0°
C10	C9	C8	H13	174.4°	179.7°
CL1	C9	C10	O2	8.5°	0.1°
CL1	C9	C8	H13	1.3°	0.3°
C10	O2	C11	C12	26.2°	90.0°
C10	O2	C11	C17	150.0°	90.4°
O2	C10	C18	H1	3.9°	0.1°
CL2	C13	C12	C14	179.1°	180.0°
CL2	C13	C12	C11	178.0°	179.8°
CL2	C13	C14	C15	179.7°	180.0°
CL2	C13	C14	H3	0.4°	0.0°
CL2	C13	C12	H14	2.0°	0.0°
C13	C12	C11	H14	180.0°	179.7°
C13	C12	C11	O2	179.9°	179.9°
C13	C12	C11	C17	3.8°	0.5°
C12	C13	C14	C15	1.2°	0.0°
C12	C13	C14	H3	178.8°	180.0°
C12	C11	O2	C17	176.2°	179.6°
C11	C12	C13	C14	2.8°	0.3°
C12	C11	C17	C15	3.3°	0.5°
C12	C11	C17	H2	176.7°	179.7°
O2	C11	C17	C15	179.6°	179.9°
O2	C11	C17	H2	0.4°	0.1°
O2	C11	C12	H14	0.1°	0.2°
C13	C14	C15	H3	180.0°	180.0°
C13	C14	C15	C17	0.6°	0.0°
C13	C14	C15	C16	177.9°	180.0°
C14	C13	C12	H14	177.2°	180.0°
C11	C17	C15	C14	1.7°	0.2°
C11	C17	C15	H2	180.0°	179.8°
C11	C17	C15	C16	178.9°	179.7°
C17	C11	C12	H14	176.2°	179.7°
C14	C15	C17	C16	177.2°	180.0°
C14	C15	C16	N2	90.7°	49.0°
C14	C15	C17	H2	178.3°	180.0°
C17	C15	C16	N2	86.5°	131.1°
C17	C15	C14	H3	179.4°	180.0°
C16	C15	C17	H2	1.0°	0.1°
C16	C15	C14	H3	2.1°	0.1°
H4	C1	C2	H6	180.0°	180.0°
H5	C1	C2	H6	0.0°	0.0°
H7	C4	C5	H9	67.4°	60.0°
H7	C4	C5	H10	51.6°	179.9°
H7	C4	N1	H11	118.7°	120.0°
H8	C4	C5	H9	51.1°	NaN°
H8	C4	C5	H10	170.1°	60.0°
H8	C4	N1	H11	0.2°	120.0°
H12	C7	C8	H13	1.1°	0.0°

Release date:	2023-11-08
Definition date:	2023-09-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	8U6B