RV4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	O2	sing	1.43Å	1.42Å
C12	C13	sing	1.53Å	1.51Å
O2	C11	sing	1.43Å	1.42Å
C13	N2	sing	1.47Å	1.50Å
C11	C10	sing	1.53Å	1.51Å
N2	C10	sing	1.47Å	1.49Å
N2	C9	sing	1.47Å	1.52Å
C9	C6	sing	1.51Å	1.51Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C3	C8	sing	1.39Å	1.39Å	Aromatic
C3	N1	sing	1.40Å	1.42Å
N1	C2	sing	1.35Å	1.36Å
C2	O1	doub	1.21Å	1.23Å
C2	C1	sing	1.51Å	1.50Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C12	C13	111.8°	109.3°
C12	O2	C11	110.7°	113.7°
O2	C12	H15	108.9°	109.5°
O2	C12	H16	108.9°	109.5°
C12	C13	N2	109.9°	109.2°
C12	C13	H8	109.4°	109.5°
C12	C13	H9	109.4°	109.5°
C13	C12	H15	108.9°	109.5°
C13	C12	H16	108.9°	109.5°
O2	C11	C10	111.9°	109.2°
O2	C11	H13	108.9°	109.5°
O2	C11	H14	108.9°	109.5°
C13	N2	C10	109.8°	110.7°
C13	N2	C9	113.0°	111.0°
N2	C13	H8	109.4°	109.6°
N2	C13	H9	109.3°	109.5°
C11	C10	N2	109.8°	109.3°
C11	C10	H6	109.4°	109.5°
C11	C10	H7	109.4°	109.5°
C10	C11	H13	108.9°	109.5°
C10	C11	H14	108.8°	109.5°
C10	N2	C9	115.3°	111.0°
N2	C10	H6	109.4°	109.5°
N2	C10	H7	109.4°	109.5°
N2	C9	C6	116.3°	109.4°
N2	C9	H17	107.8°	109.5°
N2	C9	H18	107.7°	109.5°
C9	C6	C5	121.0°	119.9°
C9	C6	C7	120.5°	119.9°
C6	C9	H17	107.7°	109.4°
C6	C9	H18	107.8°	109.5°
C6	C5	C4	121.1°	120.0°
C5	C6	C7	118.4°	120.2°
C6	C5	H3	119.4°	120.0°
C5	C4	C3	120.4°	120.0°
C5	C4	H2	119.8°	120.0°
C4	C5	H3	119.5°	120.0°
C6	C7	C8	121.1°	120.0°
C6	C7	H4	119.4°	120.0°
C4	C3	C8	118.6°	119.8°
C4	C3	N1	117.6°	120.1°
C3	C4	H2	119.8°	120.0°
C7	C8	C3	120.4°	119.9°
C8	C7	H4	119.5°	120.0°
C7	C8	H5	119.8°	120.0°
C8	C3	N1	123.8°	120.1°
C3	C8	H5	119.8°	120.1°
C3	N1	C2	129.5°	120.0°
C3	N1	H1	115.3°	120.0°
N1	C2	O1	123.9°	120.0°
N1	C2	C1	114.9°	120.0°
C2	N1	H1	115.2°	120.0°
O1	C2	C1	121.1°	120.0°
C2	C1	H10	109.5°	109.4°
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.4°	109.5°
H6	C10	H7	109.5°	109.5°
H8	C13	H9	109.5°	109.5°
H10	C1	H11	109.4°	109.5°
H10	C1	H12	109.4°	109.5°
H11	C1	H12	109.5°	109.5°
H13	C11	H14	109.5°	109.5°
H15	C12	H16	109.5°	109.6°
H17	C9	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C12	C13	H15	120.4°	120.0°
O2	C12	C13	H16	120.4°	119.9°
O2	C12	C13	N2	3.2°	56.9°
C12	O2	C11	C10	57.9°	58.7°
O2	C12	C13	H8	123.3°	63.1°
O2	C12	C13	H9	116.8°	176.9°
C12	O2	C11	H13	178.3°	178.6°
C12	O2	C11	H14	62.4°	61.3°
O2	C12	H15	H16	119.0°	120.1°
C13	C12	O2	C11	60.2°	58.7°
C12	C13	N2	H8	120.1°	119.9°
C12	C13	N2	H9	120.1°	119.9°
C12	C13	N2	C10	53.5°	58.6°
C12	C13	N2	C9	176.2°	177.7°
C12	C13	H8	H9	119.8°	120.1°
C13	C12	H15	H16	118.9°	120.1°
O2	C11	C10	H13	120.4°	119.9°
O2	C11	C10	H14	120.4°	120.0°
O2	C11	C10	N2	0.8°	56.8°
O2	C11	C10	H6	120.8°	176.8°
O2	C11	C10	H7	119.3°	63.1°
O2	C11	H13	H14	118.9°	120.2°
C11	O2	C12	H15	60.1°	61.2°
C11	O2	C12	H16	179.5°	178.6°
C13	N2	C10	C11	55.7°	58.6°
C13	N2	C10	C9	129.0°	123.7°
C13	N2	C9	C6	109.9°	170.0°
C13	N2	C10	H6	175.7°	178.5°
C13	N2	C10	H7	64.4°	61.3°
N2	C13	H8	H9	119.8°	120.2°
N2	C13	C12	H15	117.1°	63.0°
N2	C13	C12	H16	123.6°	176.8°
C13	N2	C9	H17	11.1°	50.1°
C13	N2	C9	H18	129.1°	70.0°
C11	C10	N2	H6	120.0°	119.9°
C11	C10	N2	H7	120.1°	119.9°
C11	C10	N2	C9	175.3°	177.7°
C11	C10	H6	H7	119.9°	120.1°
C10	C11	H13	H14	118.8°	120.1°
C10	N2	C9	C6	17.5°	66.4°
N2	C10	H6	H7	119.9°	120.1°
C10	N2	C13	H8	66.5°	61.3°
C10	N2	C13	H9	173.6°	178.6°
N2	C10	C11	H13	119.6°	176.8°
N2	C10	C11	H14	121.2°	63.1°
C10	N2	C9	H17	138.5°	173.7°
C10	N2	C9	H18	103.5°	53.6°
N2	C9	C6	H17	121.0°	119.9°
N2	C9	C6	H18	121.0°	120.0°
N2	C9	C6	C5	93.3°	90.1°
N2	C9	C6	C7	89.9°	90.0°
C9	N2	C10	H6	55.3°	57.7°
C9	N2	C10	H7	64.6°	62.4°
C9	N2	C13	H8	63.8°	62.4°
C9	N2	C13	H9	56.1°	57.7°
N2	C9	H17	H18	116.9°	120.1°
C9	C6	C5	C7	176.8°	179.9°
C9	C6	C5	C4	178.7°	180.0°
C9	C6	C7	C8	179.0°	180.0°
C9	C6	C5	H3	1.3°	0.1°
C9	C6	C7	H4	1.0°	0.1°
C6	C9	H17	H18	116.9°	120.0°
C6	C5	C4	H3	180.0°	180.0°
C6	C5	C4	C3	0.9°	0.0°
C5	C6	C7	C8	2.1°	0.1°
C6	C5	C4	H2	179.1°	179.7°
C5	C6	C7	H4	177.9°	180.0°
C5	C6	C9	H17	27.7°	150.0°
C5	C6	C9	H18	145.7°	30.0°
C4	C5	C6	C7	1.9°	0.0°
C5	C4	C3	H2	180.0°	179.7°
C5	C4	C3	C8	0.1°	0.0°
C5	C4	C3	N1	179.9°	179.7°
C6	C7	C8	H4	180.0°	179.9°
C6	C7	C8	C3	1.4°	0.1°
C7	C6	C5	H3	178.2°	180.0°
C6	C7	C8	H5	178.6°	180.0°
C7	C6	C9	H17	149.1°	29.9°
C7	C6	C9	H18	31.0°	150.0°
C4	C3	C8	C7	0.3°	0.0°
C4	C3	C8	N1	179.8°	179.7°
C4	C3	N1	C2	176.9°	146.6°
C4	C3	N1	H1	3.1°	33.0°
C3	C4	C5	H3	179.2°	179.9°
C4	C3	C8	H5	179.6°	179.9°
C7	C8	C3	H5	180.0°	179.9°
C7	C8	C3	N1	179.8°	179.8°
C8	C3	N1	C2	3.2°	33.6°
C8	C3	N1	H1	176.8°	146.7°
C8	C3	C4	H2	179.9°	179.7°
C3	C8	C7	H4	178.6°	180.0°
C3	N1	C2	H1	180.0°	179.7°
C3	N1	C2	O1	4.0°	5.0°
C3	N1	C2	C1	176.9°	174.9°
N1	C3	C4	H2	0.0°	0.0°
N1	C3	C8	H5	0.2°	0.3°
N1	C2	O1	C1	179.1°	179.9°
N1	C2	C1	H10	179.2°	0.0°
N1	C2	C1	H11	59.2°	120.0°
N1	C2	C1	H12	60.9°	120.0°
O1	C2	N1	H1	176.0°	174.6°
O1	C2	C1	H10	0.0°	180.0°
O1	C2	C1	H11	120.0°	60.0°
O1	C2	C1	H12	120.0°	60.0°
C1	C2	N1	H1	3.1°	5.4°
C2	C1	H10	H11	120.0°	120.0°
C2	C1	H10	H12	120.0°	120.0°
C2	C1	H11	H12	120.0°	120.0°
H2	C4	C5	H3	0.9°	0.2°
H4	C7	C8	H5	1.4°	0.1°
H6	C10	C11	H13	0.4°	63.3°
H6	C10	C11	H14	118.8°	56.8°
H7	C10	C11	H13	120.3°	56.8°
H7	C10	C11	H14	1.1°	176.9°
H8	C13	C12	H15	2.9°	177.0°
H8	C13	C12	H16	116.3°	56.8°
H9	C13	C12	H15	122.8°	56.9°
H9	C13	C12	H16	3.5°	63.3°
H10	C1	H11	H12	120.0°	120.0°

Release date:	2020-04-01
Definition date:	2020-02-25
Last modified:	2020-03-27
Release status:	REL
Processing site:	RCSB
Derived from:	5R4L