RM0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	N18	sing	1.42Å	1.43Å
N18	C17	doub	1.29Å	1.46Å
C17	C12	sing	1.48Å	1.53Å
O16	C13	sing	1.36Å	1.40Å
C12	C13	doub	1.40Å	1.39Å	Aromatic
C12	N5	sing	1.33Å	1.33Å	Aromatic
C13	C14	sing	1.39Å	1.40Å	Aromatic
N5	C1	doub	1.32Å	1.33Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C1	C15	sing	1.38Å	1.39Å	Aromatic
C1	C11	sing	1.51Å	1.54Å
C11	C10	sing	1.53Å	1.54Å
C10	C9	sing	1.53Å	1.53Å
C9	C8	sing	1.53Å	1.53Å
C8	C7	sing	1.53Å	1.54Å
C7	N4	sing	1.47Å	1.28Å
C5	N4	sing	1.47Å	1.39Å
C5	C6	sing	1.53Å	1.53Å
N4	C3	sing	1.47Å	1.38Å
C3	C2	sing	1.53Å	1.53Å
C6	O1	sing	1.43Å	1.38Å
O1	C2	sing	1.43Å	1.38Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.08Å	1.08Å
C15	H21	sing	1.08Å	1.08Å
O16	H22	sing	0.97Å	0.95Å
C17	H23	sing	1.08Å	1.08Å
O19	H26	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	N18	C17	114.0°	120.0°
N18	O19	H26	109.5°	114.0°
N18	C17	C12	110.0°	120.0°
N18	C17	H23	125.0°	120.0°
C17	C12	C13	120.2°	119.8°
C17	C12	N5	120.5°	119.8°
C12	C17	H23	125.0°	120.0°
O16	C13	C12	119.1°	120.5°
O16	C13	C14	120.0°	120.5°
C13	O16	H22	109.5°	114.0°
C13	C12	N5	119.3°	120.4°
C12	C13	C14	121.0°	118.9°
C12	N5	C1	122.0°	121.6°
C13	C14	C15	117.9°	118.5°
C13	C14	H20	121.1°	120.7°
N5	C1	C15	121.5°	121.0°
N5	C1	C11	118.9°	119.5°
C14	C15	C1	118.3°	119.5°
C15	C14	H20	121.1°	120.8°
C14	C15	H21	120.8°	120.2°
C15	C1	C11	119.6°	119.5°
C1	C15	H21	120.9°	120.3°
C1	C11	C10	117.8°	109.5°
C1	C11	H18	107.3°	109.5°
C1	C11	H19	107.3°	109.4°
C11	C10	C9	106.6°	109.5°
C11	C10	H16	110.2°	109.5°
C11	C10	H17	110.2°	109.4°
C10	C11	H18	107.3°	109.5°
C10	C11	H19	107.4°	109.5°
C10	C9	C8	117.0°	109.5°
C10	C9	H14	107.6°	109.5°
C10	C9	H15	107.6°	109.4°
C9	C10	H16	110.2°	109.5°
C9	C10	H17	110.2°	109.5°
C9	C8	C7	110.4°	109.4°
C9	C8	H12	109.2°	109.4°
C9	C8	H13	109.2°	109.5°
C8	C9	H14	107.5°	109.5°
C8	C9	H15	107.6°	109.5°
C8	C7	N4	111.7°	109.4°
C8	C7	H10	108.9°	109.5°
C8	C7	H11	108.9°	109.5°
C7	C8	H12	109.2°	109.5°
C7	C8	H13	109.2°	109.5°
C7	N4	C5	109.1°	111.1°
C7	N4	C3	109.7°	111.0°
N4	C7	H10	108.9°	109.5°
N4	C7	H11	108.9°	109.4°
N4	C5	C6	113.7°	109.2°
C5	N4	C3	112.7°	110.8°
N4	C5	H6	108.4°	109.5°
N4	C5	H7	108.4°	109.4°
C5	C6	O1	112.1°	109.3°
C6	C5	H6	108.4°	109.5°
C6	C5	H7	108.4°	109.5°
C5	C6	H8	108.8°	109.5°
C5	C6	H9	108.8°	109.5°
N4	C3	C2	113.6°	109.3°
N4	C3	H3	108.4°	109.5°
N4	C3	H4	108.4°	109.5°
C3	C2	O1	112.5°	109.3°
C3	C2	H1	108.7°	109.5°
C3	C2	H2	108.7°	109.6°
C2	C3	H3	108.4°	109.5°
C2	C3	H4	108.4°	109.5°
C6	O1	C2	110.6°	113.7°
O1	C6	H8	108.8°	109.5°
O1	C6	H9	108.8°	109.5°
O1	C2	H1	108.7°	109.5°
O1	C2	H2	108.7°	109.5°
H1	C2	H2	109.4°	109.5°
H3	C3	H4	109.5°	109.5°
H6	C5	H7	109.4°	109.6°
H8	C6	H9	109.4°	109.5°
H10	C7	H11	109.5°	109.5°
H12	C8	H13	109.5°	109.5°
H14	C9	H15	109.4°	109.5°
H16	C10	H17	109.5°	109.5°
H18	C11	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	N18	C17	C12	155.2°	180.0°
O19	N18	C17	H23	24.8°	0.0°
N18	C17	C12	H23	180.0°	180.0°
N18	C17	C12	C13	1.0°	180.0°
N18	C17	C12	N5	179.2°	0.0°
C17	N18	O19	H26	180.0°	180.0°
C17	C12	C13	O16	0.2°	0.1°
C17	C12	C13	N5	179.8°	180.0°
C17	C12	C13	C14	179.9°	180.0°
C17	C12	N5	C1	179.9°	180.0°
O16	C13	C12	C14	179.9°	179.9°
O16	C13	C12	N5	179.6°	180.0°
O16	C13	C14	C15	179.8°	180.0°
O16	C13	C14	H20	0.2°	0.1°
C13	C12	N5	C1	0.1°	0.0°
C12	C13	C14	C15	0.2°	0.1°
C12	C13	C14	H20	179.8°	180.0°
C12	C13	O16	H22	180.0°	90.0°
C13	C12	C17	H23	179.0°	0.1°
N5	C12	C13	C14	0.3°	0.1°
C12	N5	C1	C15	0.3°	0.0°
C12	N5	C1	C11	178.9°	179.7°
N5	C12	C17	H23	0.8°	180.0°
C13	C14	C15	H20	180.0°	179.9°
C13	C14	C15	C1	0.2°	0.1°
C13	C14	C15	H21	179.8°	179.8°
C14	C13	O16	H22	0.1°	90.0°
N5	C1	C15	C14	0.4°	0.0°
N5	C1	C15	C11	178.6°	179.7°
N5	C1	C11	C10	102.6°	54.7°
N5	C1	C11	H18	18.6°	174.7°
N5	C1	C11	H19	136.2°	65.3°
N5	C1	C15	H21	179.6°	179.8°
C14	C15	C1	H21	180.0°	179.8°
C14	C15	C1	C11	179.0°	179.8°
C15	C1	C11	C10	78.7°	125.0°
C15	C1	C11	H18	160.1°	5.0°
C15	C1	C11	H19	42.5°	115.0°
C1	C15	C14	H20	179.8°	180.0°
C1	C11	C10	H18	121.2°	120.0°
C1	C11	C10	H19	121.2°	120.0°
C1	C11	C10	C9	151.1°	180.0°
C1	C11	C10	H16	89.3°	60.0°
C1	C11	C10	H17	31.6°	60.0°
C1	C11	H18	H19	116.2°	120.0°
C11	C1	C15	H21	1.0°	0.1°
C11	C10	C9	H16	119.5°	120.0°
C11	C10	C9	H17	119.5°	120.0°
C11	C10	C9	C8	156.0°	180.0°
C11	C10	C9	H14	83.0°	60.0°
C11	C10	C9	H15	34.9°	60.0°
C11	C10	H16	H17	121.3°	120.0°
C10	C11	H18	H19	116.2°	120.0°
C10	C9	C8	H14	121.1°	120.0°
C10	C9	C8	H15	121.1°	120.0°
C10	C9	C8	C7	174.0°	180.0°
C10	C9	C8	H12	53.9°	60.0°
C10	C9	C8	H13	65.8°	60.0°
C10	C9	H14	H15	116.6°	120.0°
C9	C10	H16	H17	121.3°	120.0°
C9	C10	C11	H18	29.9°	60.0°
C9	C10	C11	H19	87.7°	60.0°
C9	C8	C7	H12	120.1°	120.0°
C9	C8	C7	H13	120.2°	120.0°
C9	C8	C7	N4	174.7°	180.0°
C9	C8	C7	H10	64.9°	60.0°
C9	C8	C7	H11	54.4°	60.0°
C9	C8	H12	H13	119.5°	120.0°
C8	C9	H14	H15	116.6°	120.0°
C8	C9	C10	H16	36.4°	60.0°
C8	C9	C10	H17	84.5°	60.0°
C8	C7	N4	H10	120.3°	120.0°
C8	C7	N4	H11	120.3°	120.0°
C8	C7	N4	C5	84.0°	66.3°
C8	C7	N4	C3	152.0°	170.0°
C8	C7	H10	H11	119.0°	120.0°
C7	C8	H12	H13	119.6°	120.1°
C7	C8	C9	H14	64.9°	60.0°
C7	C8	C9	H15	52.9°	60.1°
C7	N4	C5	C3	122.1°	123.8°
C7	N4	C5	C6	169.4°	177.6°
C7	N4	C3	C2	168.9°	177.6°
C7	N4	C3	H3	48.3°	57.6°
C7	N4	C3	H4	70.5°	62.5°
C7	N4	C5	H6	69.9°	57.7°
C7	N4	C5	H7	48.8°	62.5°
N4	C7	H10	H11	119.0°	120.0°
N4	C7	C8	H12	54.6°	60.0°
N4	C7	C8	H13	65.1°	60.1°
N4	C5	C6	H6	120.7°	119.9°
N4	C5	C6	H7	120.7°	119.9°
C5	N4	C3	C2	47.1°	58.6°
N4	C5	C6	O1	51.8°	56.9°
C5	N4	C3	H3	73.5°	178.6°
C5	N4	C3	H4	167.7°	61.4°
N4	C5	H6	H7	118.1°	120.1°
N4	C5	C6	H8	68.6°	176.7°
N4	C5	C6	H9	172.3°	63.1°
C5	N4	C7	H10	36.3°	173.7°
C5	N4	C7	H11	155.7°	53.7°
C6	C5	N4	C3	47.3°	58.6°
C5	C6	O1	H8	120.4°	119.9°
C5	C6	O1	H9	120.4°	120.0°
C5	C6	O1	C2	55.1°	58.7°
C6	C5	H6	H7	118.1°	120.2°
C5	C6	H8	H9	118.8°	120.1°
N4	C3	C2	H3	120.6°	120.0°
N4	C3	C2	H4	120.6°	120.0°
N4	C3	C2	O1	51.8°	56.8°
N4	C3	C2	H1	172.3°	63.1°
N4	C3	C2	H2	68.6°	176.8°
N4	C3	H3	H4	118.1°	120.1°
C3	N4	C5	H6	167.9°	178.5°
C3	N4	C5	H7	73.4°	61.3°
C3	N4	C7	H10	87.6°	50.0°
C3	N4	C7	H11	31.7°	70.0°
C3	C2	O1	C6	55.2°	58.7°
C3	C2	O1	H1	120.5°	119.9°
C3	C2	O1	H2	120.5°	120.0°
C3	C2	H1	H2	118.7°	120.1°
C2	C3	H3	H4	118.1°	120.1°
C6	O1	C2	H1	175.7°	61.3°
C6	O1	C2	H2	65.3°	178.7°
O1	C6	C5	H6	172.5°	176.8°
O1	C6	C5	H7	68.8°	63.0°
O1	C6	H8	H9	118.8°	120.1°
O1	C2	H1	H2	118.6°	120.1°
O1	C2	C3	H3	68.8°	176.8°
O1	C2	C3	H4	172.4°	63.1°
C2	O1	C6	H8	65.3°	178.6°
C2	O1	C6	H9	175.5°	61.3°
H1	C2	C3	H3	51.7°	56.9°
H1	C2	C3	H4	67.1°	177.0°
H2	C2	C3	H3	170.8°	63.2°
H2	C2	C3	H4	52.0°	56.8°
H6	C5	C6	H8	52.1°	63.4°
H6	C5	C6	H9	67.1°	56.8°
H7	C5	C6	H8	170.8°	56.9°
H7	C5	C6	H9	51.6°	177.0°
H10	C7	C8	H12	174.9°	180.0°
H10	C7	C8	H13	55.2°	60.0°
H11	C7	C8	H12	65.7°	59.9°
H11	C7	C8	H13	174.6°	180.0°
H12	C8	C9	H14	175.0°	180.0°
H12	C8	C9	H15	67.2°	60.0°
H13	C8	C9	H14	55.3°	60.0°
H13	C8	C9	H15	173.1°	180.0°
H14	C9	C10	H16	157.5°	180.0°
H14	C9	C10	H17	36.6°	60.0°
H15	C9	C10	H16	84.7°	60.0°
H15	C9	C10	H17	154.4°	180.0°
H16	C10	C11	H18	149.5°	180.0°
H16	C10	C11	H19	31.9°	60.0°
H17	C10	C11	H18	89.6°	60.0°
H17	C10	C11	H19	152.8°	180.0°
H20	C14	C15	H21	0.2°	0.2°

Release date:	2018-11-14
Definition date:	2017-10-30
Last modified:	2018-11-09
Release status:	REL
Processing site:	EBI
Derived from:	6EUC