25V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.39Å	1.44Å	Aromatic
C11	C10	doub	1.36Å	1.36Å	Aromatic
C12	C13	doub	1.36Å	1.38Å	Aromatic
C10	C9	sing	1.41Å	1.48Å	Aromatic
C13	C14	sing	1.40Å	1.44Å	Aromatic
C9	C14	doub	1.41Å	1.41Å	Aromatic
C9	N1	sing	1.34Å	1.50Å	Aromatic
C14	C5	sing	1.42Å	1.50Å	Aromatic
C15	C16	doub	1.38Å	1.37Å	Aromatic
C15	C4	sing	1.40Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.43Å	Aromatic
O	N1	sing	1.42Å	1.36Å
N1	C7	doub	1.31Å	1.37Å	Aromatic
C5	C4	sing	1.48Å	1.45Å
C5	C6	doub	1.39Å	1.43Å	Aromatic
C4	C3	doub	1.39Å	1.41Å	Aromatic
C17	C2	doub	1.39Å	1.41Å	Aromatic
C7	C6	sing	1.39Å	1.41Å	Aromatic
C7	C8	sing	1.51Å	1.51Å
C3	C2	sing	1.39Å	1.42Å	Aromatic
C2	N	sing	1.40Å	1.45Å
N	C1	sing	1.35Å	1.47Å
O1	C1	doub	1.21Å	1.23Å
C1	C	sing	1.51Å	1.48Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
N	H4	sing	0.97Å	1.00Å
C17	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C8	H16	sing	1.09Å	1.10Å
C6	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	119.6°	121.0°
C11	C12	C13	120.3°	120.8°
C11	C12	H10	119.9°	119.6°
C12	C11	H11	120.2°	119.5°
C11	C10	C9	121.0°	119.8°
C10	C11	H11	120.2°	119.5°
C11	C10	H12	119.5°	120.1°
C12	C13	C14	121.8°	119.6°
C12	C13	H9	119.1°	120.2°
C13	C12	H10	119.9°	119.6°
C10	C9	C14	119.2°	119.1°
C10	C9	N1	121.1°	121.0°
C9	C10	H12	119.5°	120.1°
C13	C14	C9	118.0°	119.7°
C13	C14	C5	124.8°	121.3°
C14	C13	H9	119.1°	120.2°
C14	C9	N1	119.7°	120.0°
C9	C14	C5	117.1°	119.0°
C9	N1	O	118.5°	119.1°
C9	N1	C7	121.0°	121.7°
C14	C5	C4	123.3°	121.1°
C14	C5	C6	120.7°	117.8°
C16	C15	C4	118.2°	120.0°
C15	C16	C17	122.3°	120.2°
C15	C16	H6	118.9°	119.9°
C16	C15	H7	120.9°	120.0°
C15	C4	C5	119.8°	120.1°
C15	C4	C3	122.0°	119.8°
C4	C15	H7	120.9°	120.0°
C16	C17	C2	119.2°	120.2°
C16	C17	H5	120.4°	119.8°
C17	C16	H6	118.9°	119.9°
O	N1	C7	120.5°	119.2°
N1	C7	C6	121.0°	121.9°
N1	C7	C8	117.0°	119.1°
C4	C5	C6	116.0°	121.0°
C5	C4	C3	118.1°	120.1°
C5	C6	C7	120.6°	119.6°
C5	C6	H17	119.7°	120.2°
C4	C3	C2	119.6°	119.8°
C4	C3	H8	120.2°	120.1°
C17	C2	C3	118.6°	120.0°
C17	C2	N	118.4°	120.0°
C2	C17	H5	120.4°	119.9°
C6	C7	C8	121.9°	119.0°
C7	C6	H17	119.7°	120.2°
C7	C8	H14	109.5°	109.4°
C7	C8	H15	109.4°	109.5°
C7	C8	H16	109.4°	109.4°
C3	C2	N	122.9°	120.0°
C2	C3	H8	120.2°	120.1°
C2	N	C1	127.7°	120.0°
C2	N	H4	116.1°	120.0°
N	C1	O1	123.8°	120.0°
N	C1	C	115.2°	120.0°
C1	N	H4	116.2°	120.0°
O1	C1	C	121.1°	120.0°
C1	C	H1	109.5°	109.4°
C1	C	H2	109.5°	109.5°
C1	C	H3	109.5°	109.4°
H1	C	H2	109.4°	109.5°
H1	C	H3	109.5°	109.5°
H2	C	H3	109.4°	109.5°
H14	C8	H15	109.5°	109.5°
H14	C8	H16	109.5°	109.5°
H15	C8	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	H11	180.0°	180.0°
C11	C12	C13	H10	180.0°	179.9°
C12	C11	C10	C9	0.8°	0.0°
C11	C12	C13	C14	0.4°	0.0°
C11	C12	C13	H9	179.6°	179.9°
C12	C11	C10	H12	179.2°	180.0°
C10	C11	C12	C13	1.2°	0.0°
C11	C10	C9	H12	180.0°	180.0°
C11	C10	C9	C14	0.3°	0.0°
C11	C10	C9	N1	178.7°	180.0°
C10	C11	C12	H10	178.8°	180.0°
C12	C13	C14	H9	180.0°	179.9°
C12	C13	C14	C9	0.7°	0.0°
C12	C13	C14	C5	178.8°	180.0°
C13	C12	C11	H11	178.9°	180.0°
C10	C9	C14	C13	1.1°	0.0°
C10	C9	C14	N1	179.1°	179.9°
C10	C9	C14	C5	179.3°	180.0°
C10	C9	N1	O	3.1°	0.0°
C10	C9	N1	C7	177.8°	179.9°
C9	C10	C11	H11	179.2°	180.0°
C13	C14	C9	C5	178.2°	180.0°
C13	C14	C9	N1	178.0°	179.9°
C13	C14	C5	C4	2.9°	0.0°
C13	C14	C5	C6	176.8°	179.7°
C14	C13	C12	H10	179.6°	179.9°
C14	C9	N1	O	177.9°	180.0°
C14	C9	N1	C7	1.3°	0.0°
C9	C14	C5	C4	179.0°	180.0°
C9	C14	C5	C6	1.3°	0.3°
C9	C14	C13	H9	179.3°	180.0°
C14	C9	C10	H12	179.6°	180.0°
N1	C9	C14	C5	0.2°	0.0°
C9	N1	O	C7	179.1°	180.0°
C9	N1	C7	C6	1.7°	0.2°
C9	N1	C7	C8	176.4°	180.0°
N1	C9	C10	H12	1.3°	0.1°
C14	C5	C4	C15	53.4°	49.7°
C14	C5	C4	C6	179.7°	179.7°
C14	C5	C4	C3	126.3°	130.6°
C14	C5	C6	C7	0.9°	0.5°
C5	C14	C13	H9	1.2°	0.1°
C14	C5	C6	H17	179.1°	179.8°
C16	C15	C4	H7	180.0°	180.0°
C15	C16	C17	H6	180.0°	180.0°
C16	C15	C4	C5	179.4°	180.0°
C16	C15	C4	C3	0.3°	0.3°
C15	C16	C17	C2	1.3°	0.0°
C15	C16	C17	H5	178.7°	180.0°
C4	C15	C16	C17	0.8°	0.0°
C15	C4	C5	C3	179.7°	179.7°
C15	C4	C5	C6	126.9°	130.0°
C15	C4	C3	C2	0.4°	0.6°
C4	C15	C16	H6	179.3°	180.0°
C15	C4	C3	H8	179.6°	180.0°
C16	C17	C2	H5	180.0°	180.0°
C16	C17	C2	C3	1.4°	0.3°
C16	C17	C2	N	174.9°	180.0°
C17	C16	C15	H7	179.2°	180.0°
O	N1	C7	C6	177.4°	179.7°
O	N1	C7	C8	4.5°	0.0°
N1	C7	C6	C5	0.6°	0.5°
N1	C7	C6	C8	178.0°	179.8°
N1	C7	C8	H14	90.9°	90.0°
N1	C7	C8	H15	149.1°	150.0°
N1	C7	C8	H16	29.1°	29.9°
N1	C7	C6	H17	179.4°	179.8°
C4	C5	C6	C7	179.4°	179.8°
C5	C4	C3	C2	179.3°	179.7°
C5	C4	C15	H7	0.6°	0.0°
C5	C4	C3	H8	0.7°	0.3°
C4	C5	C6	H17	0.6°	0.1°
C6	C5	C4	C3	53.4°	49.7°
C5	C6	C7	H17	180.0°	179.7°
C5	C6	C7	C8	177.4°	179.7°
C4	C3	C2	C17	1.0°	0.6°
C4	C3	C2	H8	180.0°	179.4°
C4	C3	C2	N	175.2°	179.7°
C3	C4	C15	H7	179.7°	179.7°
C17	C2	C3	N	176.1°	179.7°
C17	C2	N	C1	143.5°	146.7°
C17	C2	N	H4	36.5°	33.3°
C2	C17	C16	H6	178.7°	180.0°
C17	C2	C3	H8	179.1°	180.0°
C6	C7	C8	H14	91.1°	89.8°
C6	C7	C8	H15	28.9°	30.3°
C6	C7	C8	H16	148.9°	150.3°
C7	C8	H14	H15	120.0°	120.0°
C7	C8	H14	H16	120.0°	119.9°
C7	C8	H15	H16	120.0°	120.0°
C8	C7	C6	H17	2.7°	0.0°
C3	C2	N	C1	32.6°	33.6°
C3	C2	N	H4	147.4°	146.4°
C3	C2	C17	H5	178.6°	179.7°
C2	N	C1	H4	180.0°	180.0°
C2	N	C1	O1	2.8°	5.3°
C2	N	C1	C	178.4°	174.4°
N	C2	C17	H5	5.1°	0.0°
N	C2	C3	H8	4.8°	0.3°
N	C1	O1	C	178.8°	179.7°
N	C1	C	H1	178.9°	179.7°
N	C1	C	H2	58.9°	59.7°
N	C1	C	H3	61.1°	60.3°
O1	C1	C	H1	0.0°	0.0°
O1	C1	C	H2	120.0°	120.0°
O1	C1	C	H3	120.0°	120.0°
O1	C1	N	H4	177.2°	174.7°
C1	C	H1	H2	120.0°	120.0°
C1	C	H1	H3	120.0°	119.9°
C1	C	H2	H3	120.0°	120.0°
C	C1	N	H4	1.7°	5.5°
H1	C	H2	H3	120.0°	120.0°
H5	C17	C16	H6	1.3°	0.0°
H6	C16	C15	H7	0.7°	0.0°
H9	C13	C12	H10	0.4°	0.0°
H10	C12	C11	H11	1.1°	0.1°
H11	C11	C10	H12	0.7°	0.0°
H14	C8	H15	H16	120.0°	120.0°

Release date:	2013-09-25
Definition date:	2013-08-29
Last modified:	2013-09-20
Release status:	REL
Processing site:	RCSB
Derived from:	4MEO