15V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
CL1	C16	sing	1.74Å	1.80Å
C14	C13	sing	1.38Å	1.38Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.40Å	1.41Å	Aromatic
C1	C4	doub	1.36Å	1.39Å	Aromatic
C2	N1	doub	1.32Å	1.35Å	Aromatic
C13	C11	doub	1.39Å	1.39Å	Aromatic
C17	C11	sing	1.39Å	1.40Å	Aromatic
C4	N2	sing	1.36Å	1.34Å	Aromatic
C11	N5	sing	1.40Å	1.33Å
N1	C3	sing	1.33Å	1.36Å	Aromatic
N2	C3	sing	1.37Å	1.32Å	Aromatic
N2	N3	sing	1.40Å	1.40Å	Aromatic
C3	C5	doub	1.41Å	1.39Å	Aromatic
N5	N4	sing	1.40Å	1.39Å	Aromatic
N5	C10	sing	1.36Å	1.31Å	Aromatic
N4	C8	doub	1.31Å	1.34Å	Aromatic
N6	C10	sing	1.39Å	1.37Å
N6	C7	sing	1.35Å	1.35Å
C10	C9	doub	1.36Å	1.39Å	Aromatic
N3	C6	doub	1.31Å	1.35Å	Aromatic
C5	C7	sing	1.47Å	1.49Å
C5	C6	sing	1.41Å	1.39Å	Aromatic
C7	O1	doub	1.22Å	1.22Å
C8	C9	sing	1.40Å	1.40Å	Aromatic
C8	C12	sing	1.51Å	1.52Å
C4	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
N6	H11	sing	0.97Å	1.00Å
C2	H12	sing	1.08Å	1.08Å
C1	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C15	C16	119.9°	120.2°
C15	C14	C13	119.6°	120.1°
C15	C14	H2	120.2°	120.0°
C14	C15	H9	120.0°	120.0°
C15	C16	CL1	119.2°	120.0°
C15	C16	C17	119.4°	120.0°
C16	C15	H9	120.1°	119.9°
CL1	C16	C17	121.4°	120.0°
C14	C13	C11	122.6°	120.0°
C13	C14	H2	120.2°	119.9°
C14	C13	H8	118.7°	120.1°
C16	C17	C11	121.9°	120.0°
C16	C17	H10	119.0°	120.0°
C2	C1	C4	119.2°	119.4°
C1	C2	N1	120.1°	120.1°
C1	C2	H12	119.9°	119.9°
C2	C1	H13	120.4°	120.3°
C1	C4	N2	118.3°	119.2°
C1	C4	H1	120.9°	120.5°
C4	C1	H13	120.4°	120.3°
C2	N1	C3	117.8°	120.8°
N1	C2	H12	120.0°	120.0°
C13	C11	C17	116.6°	119.8°
C13	C11	N5	121.1°	120.1°
C11	C13	H8	118.7°	120.0°
C17	C11	N5	122.2°	120.1°
C11	C17	H10	119.1°	120.0°
C4	N2	C3	121.3°	119.7°
C4	N2	N3	125.3°	132.2°
N2	C4	H1	120.9°	120.4°
C11	N5	N4	120.2°	126.1°
C11	N5	C10	128.3°	126.1°
N1	C3	N2	123.5°	120.8°
N1	C3	C5	132.0°	132.4°
C3	N2	N3	113.5°	108.1°
N2	C3	C5	104.5°	106.8°
N2	N3	C6	104.2°	109.5°
C3	C5	C7	120.6°	126.6°
C3	C5	C6	108.9°	106.9°
N4	N5	C10	111.5°	107.8°
N5	N4	C8	104.4°	108.4°
N5	C10	N6	122.5°	126.3°
N5	C10	C9	108.6°	107.5°
N4	C8	C9	111.5°	108.5°
N4	C8	C12	129.2°	125.7°
C10	N6	C7	127.9°	120.1°
N6	C10	C9	128.9°	126.2°
C10	N6	H11	116.1°	120.0°
N6	C7	C5	119.7°	120.1°
N6	C7	O1	125.3°	120.0°
C7	N6	H11	116.1°	120.0°
C10	C9	C8	104.0°	107.9°
C10	C9	H4	128.0°	126.1°
N3	C6	C5	108.9°	108.7°
N3	C6	H3	125.6°	125.6°
C7	C5	C6	130.3°	126.5°
C5	C7	O1	114.9°	119.9°
C5	C6	H3	125.5°	125.7°
C9	C8	C12	119.3°	125.8°
C8	C9	H4	128.0°	126.1°
C8	C12	H5	109.5°	109.5°
C8	C12	H6	109.5°	109.5°
C8	C12	H7	109.5°	109.4°
H5	C12	H6	109.4°	109.5°
H5	C12	H7	109.5°	109.5°
H6	C12	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C15	C16	H9	180.0°	180.0°
C14	C15	C16	CL1	179.1°	179.7°
C15	C14	C13	H2	180.0°	179.6°
C14	C15	C16	C17	1.2°	0.5°
C15	C14	C13	C11	0.0°	0.3°
C15	C14	C13	H8	180.0°	179.7°
C15	C16	CL1	C17	179.7°	179.2°
C16	C15	C14	C13	1.2°	0.1°
C15	C16	C17	C11	0.1°	0.8°
C16	C15	C14	H2	178.8°	179.7°
C15	C16	C17	H10	180.0°	179.1°
CL1	C16	C17	C11	179.6°	180.0°
CL1	C16	C15	H9	0.9°	0.3°
CL1	C16	C17	H10	0.4°	0.1°
C14	C13	C11	H8	180.0°	180.0°
C14	C13	C11	C17	1.2°	0.0°
C14	C13	C11	N5	178.8°	179.9°
C13	C14	C15	H9	178.8°	180.0°
C16	C17	C11	C13	1.2°	0.6°
C16	C17	C11	H10	180.0°	180.0°
C16	C17	C11	N5	178.8°	179.5°
C17	C16	C15	H9	178.8°	179.4°
C2	C1	C4	H13	180.0°	179.4°
C1	C2	N1	H12	180.0°	179.2°
C2	C1	C4	N2	0.3°	0.0°
C1	C2	N1	C3	0.3°	0.8°
C2	C1	C4	H1	179.6°	179.7°
C4	C1	C2	N1	0.1°	0.5°
C1	C4	N2	H1	180.0°	179.7°
C1	C4	N2	C3	0.3°	0.3°
C1	C4	N2	N3	179.3°	179.7°
C4	C1	C2	H12	179.9°	179.7°
C2	N1	C3	N2	0.4°	0.5°
C2	N1	C3	C5	178.7°	179.5°
N1	C2	C1	H13	179.9°	179.9°
C13	C11	C17	N5	177.6°	180.0°
C13	C11	N5	N4	124.3°	35.0°
C13	C11	N5	C10	55.0°	145.5°
C11	C13	C14	H2	180.0°	180.0°
C13	C11	C17	H10	178.8°	179.4°
C17	C11	N5	N4	53.2°	145.0°
C17	C11	N5	C10	127.5°	34.6°
C17	C11	C13	H8	178.7°	180.0°
C4	N2	C3	N1	0.1°	0.0°
C4	N2	C3	N3	179.7°	180.0°
C4	N2	C3	C5	179.2°	180.0°
C4	N2	N3	C6	179.0°	180.0°
N2	C4	C1	H13	179.6°	179.4°
C11	N5	N4	C10	179.4°	179.6°
C11	N5	N4	C8	179.0°	180.0°
C11	N5	C10	N6	0.7°	0.1°
C11	N5	C10	C9	178.2°	179.8°
N5	C11	C13	H8	1.1°	0.0°
N5	C11	C17	H10	1.2°	0.5°
N1	C3	N2	C5	179.3°	180.0°
N1	C3	N2	N3	179.8°	180.0°
N1	C3	C5	C7	3.6°	0.0°
N1	C3	C5	C6	178.7°	180.0°
C3	N1	C2	H12	179.7°	180.0°
C3	N2	N3	C6	1.3°	0.0°
N2	C3	C5	C7	177.2°	180.0°
N2	C3	C5	C6	2.1°	0.0°
C3	N2	C4	H1	179.7°	179.9°
N3	N2	C3	C5	0.5°	0.0°
N2	N3	C6	C5	2.6°	0.0°
N3	N2	C4	H1	0.7°	0.1°
N2	N3	C6	H3	177.4°	180.0°
C3	C5	C7	N6	1.9°	180.0°
C3	C5	C6	N3	3.0°	0.0°
C3	C5	C7	C6	173.9°	180.0°
C3	C5	C7	O1	174.8°	0.0°
C3	C5	C6	H3	177.0°	179.9°
N4	N5	C10	N6	178.6°	179.7°
N4	N5	C10	C9	1.1°	0.2°
N5	N4	C8	C9	0.5°	0.4°
N5	N4	C8	C12	179.7°	179.9°
C10	N5	N4	C8	0.4°	0.4°
N5	C10	N6	C9	176.9°	179.9°
N5	C10	N6	C7	173.4°	180.0°
N5	C10	C9	C8	1.4°	0.0°
N5	C10	C9	H4	178.6°	180.0°
N5	C10	N6	H11	6.6°	0.1°
N4	C8	C9	C10	1.2°	0.3°
N4	C8	C9	C12	179.3°	179.7°
N4	C8	C9	H4	178.8°	179.7°
N4	C8	C12	H5	0.0°	89.7°
N4	C8	C12	H6	120.0°	30.3°
N4	C8	C12	H7	120.0°	150.3°
C10	N6	C7	H11	180.0°	180.0°
C10	N6	C7	C5	177.5°	180.0°
C10	N6	C7	O1	1.3°	0.0°
N6	C10	C9	C8	178.6°	179.9°
N6	C10	C9	H4	1.4°	0.0°
C7	N6	C10	C9	3.5°	0.0°
N6	C7	C5	O1	176.6°	180.0°
N6	C7	C5	C6	175.8°	0.0°
C10	C9	C8	H4	180.0°	180.0°
C10	C9	C8	C12	179.5°	180.0°
C9	C10	N6	H11	176.5°	180.0°
N3	C6	C5	C7	177.5°	180.0°
N3	C6	C5	H3	180.0°	180.0°
C7	C5	C6	H3	2.5°	0.0°
C5	C7	N6	H11	2.5°	0.0°
C6	C5	C7	O1	0.9°	180.0°
O1	C7	N6	H11	178.7°	180.0°
C9	C8	C12	H5	179.1°	90.0°
C9	C8	C12	H6	60.9°	150.0°
C9	C8	C12	H7	59.1°	30.0°
C12	C8	C9	H4	0.5°	0.0°
C8	C12	H5	H6	120.0°	120.0°
C8	C12	H5	H7	120.0°	119.9°
C8	C12	H6	H7	120.0°	120.0°
H1	C4	C1	H13	0.4°	0.3°
H2	C14	C13	H8	0.1°	0.1°
H2	C14	C15	H9	1.2°	0.3°
H5	C12	H6	H7	120.0°	120.0°
H12	C2	C1	H13	0.1°	0.9°

Release date:	2012-10-19
Definition date:	2012-10-17
Last modified:	2012-10-19
Release status:	REL
Processing site:	RCSB
Derived from:	4HGE