A5V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	sing	1.53Å	1.53Å
C13	C12	sing	1.53Å	1.52Å
C14	C9	sing	1.53Å	1.52Å
C12	C11	sing	1.53Å	1.52Å
C	N	sing	1.47Å	1.49Å
C	C1	sing	1.53Å	1.53Å
C9	C8	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.53Å
C11	C10	sing	1.53Å	1.53Å
C8	O1	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.52Å
C2	O	sing	1.43Å	1.42Å
C2	C3	sing	1.51Å	1.52Å
C15	C3	doub	1.38Å	1.40Å	Aromatic
C15	C7	sing	1.39Å	1.40Å	Aromatic
O1	C7	sing	1.36Å	1.38Å
C3	C4	sing	1.38Å	1.39Å	Aromatic
C7	C6	doub	1.39Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
O	H1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
N	H7	sing	1.01Å	1.00Å
N	H8	sing	1.01Å	1.00Å
C15	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.08Å	1.08Å
C5	H12	sing	1.08Å	1.08Å
C4	H13	sing	1.08Å	1.08Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
C14	H18	sing	1.09Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C12	H21	sing	1.09Å	1.10Å
C12	H22	sing	1.09Å	1.10Å
C11	H23	sing	1.09Å	1.10Å
C11	H24	sing	1.09Å	1.10Å
C10	H25	sing	1.09Å	1.10Å
C10	H26	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	111.8°	109.5°
C13	C14	C9	112.6°	109.5°
C13	C14	H17	108.7°	109.5°
C13	C14	H18	108.7°	109.5°
C14	C13	H19	108.9°	109.4°
C14	C13	H20	108.9°	109.4°
C13	C12	C11	110.7°	109.5°
C12	C13	H19	108.9°	109.5°
C12	C13	H20	108.9°	109.5°
C13	C12	H21	109.2°	109.5°
C13	C12	H22	109.1°	109.5°
C14	C9	C8	111.6°	109.5°
C14	C9	C10	108.7°	109.5°
C14	C9	H16	108.3°	109.4°
C9	C14	H17	108.7°	109.4°
C9	C14	H18	108.7°	109.5°
C12	C11	C10	111.5°	109.4°
C11	C12	H21	109.2°	109.5°
C11	C12	H22	109.2°	109.4°
C12	C11	H23	109.0°	109.5°
C12	C11	H24	109.0°	109.5°
N	C	C1	118.3°	109.4°
N	C	H5	107.2°	109.4°
N	C	H6	107.2°	109.5°
C	N	H7	109.5°	110.9°
C	N	H8	109.5°	111.0°
C	C1	C2	114.2°	109.4°
C	C1	H3	108.3°	109.5°
C	C1	H4	108.3°	109.5°
C1	C	H5	107.2°	109.4°
C1	C	H6	107.2°	109.5°
C8	C9	C10	111.3°	109.5°
C9	C8	O1	107.3°	109.5°
C9	C8	H14	110.0°	109.5°
C9	C8	H15	110.0°	109.5°
C8	C9	H16	108.5°	109.5°
C9	C10	C11	113.2°	109.5°
C10	C9	H16	108.3°	109.5°
C9	C10	H25	108.5°	109.4°
C9	C10	H26	108.5°	109.5°
C10	C11	H23	109.0°	109.5°
C10	C11	H24	109.0°	109.5°
C11	C10	H25	108.5°	109.4°
C11	C10	H26	108.5°	109.5°
C8	O1	C7	121.8°	117.0°
O1	C8	H14	110.0°	109.4°
O1	C8	H15	110.0°	109.4°
C1	C2	O	103.1°	109.5°
C1	C2	C3	115.3°	109.5°
C1	C2	H2	108.1°	109.5°
C2	C1	H3	108.2°	109.4°
C2	C1	H4	108.2°	109.5°
O	C2	C3	112.7°	109.5°
C2	O	H1	109.5°	114.0°
O	C2	H2	109.4°	109.5°
C2	C3	C15	120.5°	120.0°
C2	C3	C4	120.9°	119.9°
C3	C2	H2	108.1°	109.5°
C3	C15	C7	120.4°	119.9°
C15	C3	C4	118.6°	120.1°
C3	C15	H10	119.8°	120.1°
C15	C7	O1	121.0°	120.0°
C15	C7	C6	120.1°	119.9°
C7	C15	H10	119.8°	120.0°
O1	C7	C6	118.6°	120.1°
C3	C4	C5	120.7°	120.1°
C3	C4	H13	119.7°	120.0°
C7	C6	C5	119.4°	120.0°
C7	C6	H11	120.3°	120.0°
C4	C5	C6	120.7°	120.0°
C4	C5	H12	119.6°	120.0°
C5	C4	H13	119.6°	119.9°
C5	C6	H11	120.3°	120.0°
C6	C5	H12	119.7°	119.9°
H3	C1	H4	109.5°	109.5°
H5	C	H6	109.5°	109.5°
H7	N	H8	109.5°	111.0°
H14	C8	H15	109.5°	109.5°
H17	C14	H18	109.5°	109.5°
H19	C13	H20	109.5°	109.4°
H21	C12	H22	109.4°	109.4°
H23	C11	H24	109.5°	109.6°
H25	C10	H26	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	H19	120.3°	120.0°
C14	C13	C12	H20	120.3°	120.0°
C13	C14	C9	H17	120.4°	120.0°
C13	C14	C9	H18	120.5°	120.0°
C14	C13	C12	C11	54.3°	60.1°
C13	C14	C9	C8	177.9°	180.0°
C13	C14	C9	C10	54.8°	60.0°
C13	C14	C9	H16	62.7°	60.0°
C13	C14	H17	H18	118.6°	120.1°
C14	C13	H19	H20	119.0°	119.9°
C14	C13	C12	H21	65.9°	60.0°
C14	C13	C12	H22	174.5°	180.0°
C12	C13	C14	C9	56.1°	60.0°
C13	C12	C11	H21	120.2°	120.1°
C13	C12	C11	H22	120.2°	120.0°
C13	C12	C11	C10	53.9°	60.0°
C12	C13	C14	H17	176.5°	59.9°
C12	C13	C14	H18	64.4°	180.0°
C12	C13	H19	H20	118.9°	120.1°
C13	C12	H21	H22	119.4°	120.0°
C13	C12	C11	H23	174.2°	180.0°
C13	C12	C11	H24	66.5°	59.9°
C14	C9	C8	C10	121.6°	120.0°
C14	C9	C8	H16	119.3°	120.0°
C14	C9	C10	H16	117.5°	120.0°
C14	C9	C10	C11	54.9°	60.0°
C14	C9	C8	O1	166.3°	65.0°
C14	C9	C8	H14	46.7°	175.0°
C14	C9	C8	H15	74.0°	55.0°
C9	C14	H17	H18	118.6°	120.0°
C9	C14	C13	H19	176.4°	180.0°
C9	C14	C13	H20	64.3°	60.1°
C14	C9	C10	H25	175.4°	180.0°
C14	C9	C10	H26	65.7°	60.0°
C12	C11	C10	C9	55.7°	60.0°
C12	C11	C10	H23	120.3°	119.9°
C12	C11	C10	H24	120.3°	120.0°
C11	C12	C13	H19	174.6°	180.0°
C11	C12	C13	H20	66.0°	60.0°
C11	C12	H21	H22	119.4°	119.9°
C12	C11	H23	H24	119.1°	120.1°
C12	C11	C10	H25	176.2°	180.0°
C12	C11	C10	H26	64.9°	60.0°
N	C	C1	H5	121.3°	119.9°
N	C	C1	H6	121.3°	120.0°
N	C	C1	C2	43.5°	180.0°
N	C	C1	H3	164.2°	60.1°
N	C	C1	H4	77.1°	60.0°
N	C	H5	H6	116.0°	120.1°
C	N	H7	H8	120.0°	123.9°
C	C1	C2	H3	120.7°	120.0°
C	C1	C2	H4	120.7°	120.0°
C	C1	C2	O	65.3°	65.0°
C	C1	C2	C3	171.5°	175.0°
C	C1	C2	H2	50.5°	55.0°
C	C1	H3	H4	117.9°	120.0°
C1	C	H5	H6	116.0°	120.1°
C1	C	N	H7	180.0°	180.0°
C1	C	N	H8	60.0°	56.1°
C8	C9	C10	H16	119.2°	120.0°
C8	C9	C10	C11	178.2°	180.0°
C9	C8	O1	H14	119.7°	120.1°
C9	C8	O1	H15	119.7°	120.0°
C9	C8	O1	C7	171.1°	180.0°
C9	C8	H14	H15	121.0°	120.0°
C8	C9	C14	H17	61.6°	60.0°
C8	C9	C14	H18	57.5°	60.0°
C8	C9	C10	H25	61.3°	60.0°
C8	C9	C10	H26	57.6°	60.0°
C9	C10	C11	H25	120.5°	119.9°
C9	C10	C11	H26	120.5°	120.0°
C10	C9	C8	O1	72.0°	175.0°
C10	C9	C8	H14	168.3°	55.0°
C10	C9	C8	H15	47.6°	65.0°
C10	C9	C14	H17	175.2°	60.0°
C10	C9	C14	H18	65.7°	180.0°
C9	C10	C11	H23	176.0°	180.0°
C9	C10	C11	H24	64.6°	59.9°
C9	C10	H25	H26	118.3°	120.0°
C11	C10	C9	H16	62.6°	59.9°
C10	C11	C12	H21	66.4°	60.1°
C10	C11	C12	H22	174.0°	180.0°
C10	C11	H23	H24	119.1°	120.0°
C11	C10	H25	H26	118.3°	120.0°
C8	O1	C7	C15	0.9°	180.0°
C8	O1	C7	C6	173.7°	0.1°
O1	C8	H14	H15	121.0°	119.9°
O1	C8	C9	H16	47.1°	55.0°
C1	C2	O	C3	124.9°	120.0°
C1	C2	O	H2	114.8°	120.0°
C1	C2	C3	H2	121.1°	120.0°
C1	C2	C3	C15	76.5°	94.7°
C1	C2	C3	C4	104.2°	85.0°
C1	C2	O	H1	180.0°	59.9°
C2	C1	H3	H4	117.8°	120.0°
C2	C1	C	H5	77.7°	60.1°
C2	C1	C	H6	164.8°	60.0°
O	C2	C3	H2	121.0°	120.0°
O	C2	C3	C15	165.6°	145.3°
O	C2	C3	C4	13.7°	35.0°
O	C2	C1	H3	174.0°	55.0°
O	C2	C1	H4	55.4°	175.0°
C2	C3	C15	C4	179.3°	179.7°
C2	C3	C15	C7	175.2°	180.0°
C2	C3	C4	C5	176.5°	179.8°
C3	C2	O	H1	55.1°	60.1°
C3	C2	C1	H3	50.8°	65.0°
C3	C2	C1	H4	67.8°	55.0°
C2	C3	C15	H10	4.9°	0.1°
C2	C3	C4	H13	3.5°	0.0°
C3	C15	C7	H10	180.0°	179.9°
C3	C15	C7	O1	170.8°	179.9°
C3	C15	C7	C6	3.7°	0.0°
C15	C3	C4	C5	2.8°	0.6°
C15	C3	C2	H2	44.6°	25.3°
C15	C3	C4	H13	177.2°	179.7°
C15	C7	O1	C6	174.5°	180.0°
C7	C15	C3	C4	4.1°	0.3°
C15	C7	C6	C5	1.7°	0.0°
C15	C7	C6	H11	178.3°	180.0°
O1	C7	C6	C5	172.9°	180.0°
O1	C7	C15	H10	9.2°	0.1°
O1	C7	C6	H11	7.1°	0.1°
C7	O1	C8	H14	69.2°	60.0°
C7	O1	C8	H15	51.4°	60.0°
C3	C4	C5	H13	180.0°	179.8°
C3	C4	C5	C6	0.9°	0.5°
C4	C3	C2	H2	134.7°	155.0°
C4	C3	C15	H10	175.8°	179.8°
C3	C4	C5	H12	179.1°	179.8°
C7	C6	C5	C4	0.3°	0.2°
C7	C6	C5	H11	180.0°	180.0°
C6	C7	C15	H10	176.3°	179.9°
C7	C6	C5	H12	179.7°	180.0°
C4	C5	C6	H12	180.0°	179.7°
C4	C5	C6	H11	179.7°	179.7°
C6	C5	C4	H13	179.1°	179.7°
H1	O	C2	H2	65.1°	180.0°
H2	C2	C1	H3	70.3°	175.0°
H2	C2	C1	H4	171.2°	64.9°
H3	C1	C	H5	43.0°	180.0°
H3	C1	C	H6	74.5°	59.9°
H4	C1	C	H5	161.6°	59.9°
H4	C1	C	H6	44.1°	180.0°
H5	C	N	H7	58.8°	60.1°
H5	C	N	H8	61.3°	176.0°
H6	C	N	H7	58.7°	60.0°
H6	C	N	H8	178.7°	63.9°
H11	C6	C5	H12	0.3°	0.0°
H12	C5	C4	H13	0.9°	0.0°
H14	C8	C9	H16	72.6°	65.0°
H15	C8	C9	H16	166.7°	175.0°
H16	C9	C14	H17	57.7°	180.0°
H16	C9	C14	H18	176.8°	60.0°
H16	C9	C10	H25	57.9°	60.0°
H16	C9	C10	H26	176.8°	180.0°
H17	C14	C13	H19	63.2°	60.1°
H17	C14	C13	H20	56.2°	180.0°
H18	C14	C13	H19	55.9°	60.0°
H18	C14	C13	H20	175.3°	59.9°
H19	C13	C12	H21	54.4°	60.0°
H19	C13	C12	H22	65.2°	60.0°
H20	C13	C12	H21	173.7°	180.0°
H20	C13	C12	H22	54.2°	60.0°
H21	C12	C11	H23	53.9°	59.9°
H21	C12	C11	H24	173.3°	180.0°
H22	C12	C11	H23	65.7°	60.0°
H22	C12	C11	H24	53.7°	60.1°
H23	C11	C10	H25	63.5°	60.1°
H23	C11	C10	H26	55.4°	59.9°
H24	C11	C10	H25	55.9°	60.0°
H24	C11	C10	H26	174.8°	180.0°

Release date:	2015-05-27
Definition date:	2015-01-07
Last modified:	2015-05-22
Release status:	REL
Processing site:	RCSB
Derived from:	4RYZ