U0Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	sing	1.51Å	1.50Å
C2	C1	sing	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.40Å	1.38Å	Aromatic
C4	C5	doub	1.40Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C6	C1	doub	1.38Å	1.38Å	Aromatic
C7	C4	sing	1.48Å	1.50Å
C7	O	doub	1.22Å	1.23Å
N	C7	sing	1.35Å	1.35Å
C8	N	sing	1.47Å	1.46Å
C9	C8	sing	1.53Å	1.51Å
N1	C9	sing	1.47Å	1.47Å
N1	C10	sing	1.47Å	1.46Å
C10	C11	sing	1.53Å	1.51Å
C11	N	sing	1.47Å	1.46Å
C12	N1	sing	1.35Å	1.35Å
C12	O1	doub	1.21Å	1.22Å
C13	C12	sing	1.51Å	1.50Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C9	H10	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	121.4°	119.8°
C	C1	C6	120.7°	119.9°
C1	C	H2	109.5°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H1	109.5°	109.4°
C1	C2	C3	121.3°	120.2°
C2	C1	C6	117.9°	120.3°
C1	C2	H3	119.3°	119.9°
C2	C3	C4	120.2°	119.9°
C3	C2	H3	119.3°	119.9°
C2	C3	H4	119.9°	120.1°
C3	C4	C5	119.0°	119.7°
C3	C4	C7	121.3°	120.2°
C4	C3	H4	119.9°	120.0°
C4	C5	C6	120.4°	119.9°
C5	C4	C7	119.7°	120.2°
C4	C5	H5	119.8°	120.1°
C5	C6	C1	121.2°	120.2°
C6	C5	H5	119.8°	120.1°
C5	C6	H6	119.4°	119.9°
C1	C6	H6	119.4°	119.9°
C4	C7	O	119.3°	120.0°
C4	C7	N	118.3°	120.0°
O	C7	N	122.4°	120.0°
C7	N	C8	123.4°	120.6°
C7	N	C11	123.1°	120.6°
N	C8	C9	111.0°	108.6°
C8	N	C11	113.5°	118.8°
N	C8	H8	109.1°	109.6°
N	C8	H7	109.1°	109.6°
C8	C9	N1	110.7°	108.6°
C9	C8	H8	109.1°	109.6°
C9	C8	H7	109.1°	109.7°
C8	C9	H10	109.2°	109.6°
C8	C9	H9	109.2°	109.6°
C9	N1	C10	112.2°	118.8°
C9	N1	C12	124.0°	120.6°
N1	C9	H10	109.2°	109.6°
N1	C9	H9	109.2°	109.6°
N1	C10	C11	108.8°	108.6°
C10	N1	C12	123.8°	120.6°
N1	C10	H12	109.6°	109.7°
N1	C10	H11	109.6°	109.6°
C10	C11	N	110.2°	108.6°
C11	C10	H12	109.6°	109.5°
C11	C10	H11	109.6°	109.6°
C10	C11	H14	109.3°	109.6°
C10	C11	H13	109.3°	109.6°
N	C11	H14	109.3°	109.6°
N	C11	H13	109.3°	109.6°
N1	C12	O1	122.8°	120.0°
N1	C12	C13	116.0°	120.0°
O1	C12	C13	121.2°	120.0°
C12	C13	H17	109.5°	109.4°
C12	C13	H15	109.5°	109.5°
C12	C13	H16	109.5°	109.5°
H8	C8	H7	109.5°	109.6°
H12	C10	H11	109.5°	109.8°
H17	C13	H15	109.5°	109.5°
H17	C13	H16	109.5°	109.4°
H15	C13	H16	109.4°	109.5°
H2	C	H	109.5°	109.5°
H2	C	H1	109.5°	109.4°
H	C	H1	109.4°	109.4°
H14	C11	H13	109.5°	109.7°
H10	C9	H9	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C6	179.9°	180.0°
C	C1	C2	C3	180.0°	180.0°
C	C1	C6	C5	179.8°	180.0°
C	C1	C6	H6	0.2°	0.0°
C1	C	H2	H	120.0°	120.1°
C1	C	H2	H1	120.0°	120.0°
C1	C	H	H1	120.0°	119.9°
C	C1	C2	H3	0.0°	0.0°
C1	C2	C3	H3	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C2	C1	C6	C5	0.2°	0.0°
C2	C1	C6	H6	179.8°	179.9°
C2	C1	C	H2	90.1°	90.0°
C2	C1	C	H	150.0°	30.1°
C2	C1	C	H1	30.0°	150.0°
C1	C2	C3	H4	179.7°	180.0°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C3	C2	C1	C6	0.1°	0.0°
C2	C3	C4	C7	179.3°	179.7°
C3	C4	C5	C7	178.8°	179.7°
C3	C4	C5	C6	0.4°	0.0°
C3	C4	C7	O	54.6°	41.6°
C3	C4	C7	N	126.2°	138.4°
C3	C4	C5	H5	179.6°	179.9°
C4	C3	C2	H3	179.7°	180.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C1	0.0°	0.0°
C5	C4	C7	O	126.7°	138.1°
C5	C4	C7	N	52.5°	41.9°
C4	C5	C6	H6	180.0°	180.0°
C5	C4	C3	H4	179.4°	180.0°
C5	C6	C1	H6	180.0°	180.0°
C6	C5	C4	C7	179.2°	179.7°
C1	C6	C5	H5	180.0°	179.9°
C6	C1	C	H2	90.0°	89.9°
C6	C1	C	H	30.0°	150.0°
C6	C1	C	H1	149.9°	30.0°
C6	C1	C2	H3	179.9°	180.0°
C4	C7	O	N	179.2°	180.0°
C4	C7	N	C8	165.9°	176.0°
C4	C7	N	C11	15.3°	4.0°
C7	C4	C5	H5	0.8°	0.3°
C7	C4	C3	H4	0.7°	0.3°
O	C7	N	C8	13.3°	3.9°
O	C7	N	C11	165.6°	176.0°
C7	N	C8	C11	178.9°	180.0°
C7	N	C8	C9	126.7°	124.8°
C7	N	C11	C10	123.3°	124.8°
C7	N	C8	H8	113.1°	115.4°
C7	N	C8	H7	6.5°	4.9°
C7	N	C11	H14	116.6°	115.5°
C7	N	C11	H13	3.2°	5.0°
N	C8	C9	H8	120.2°	119.8°
N	C8	C9	H7	120.2°	119.8°
N	C8	C9	N1	51.6°	49.5°
C8	N	C11	C10	55.6°	55.2°
N	C8	H8	H7	119.3°	120.3°
C8	N	C11	H14	64.5°	64.5°
C8	N	C11	H13	175.7°	175.0°
N	C8	C9	H10	171.8°	70.3°
N	C8	C9	H9	68.6°	169.2°
C8	C9	N1	H10	120.2°	119.7°
C8	C9	N1	H9	120.2°	119.7°
C8	C9	N1	C10	57.2°	55.3°
C9	C8	N	C11	52.2°	55.3°
C8	C9	N1	C12	121.2°	124.5°
C9	C8	H8	H7	119.3°	120.5°
C8	C9	H10	H9	119.4°	120.4°
C9	N1	C10	C12	178.3°	179.8°
C9	N1	C10	C11	60.0°	55.3°
C9	N1	C12	O1	175.3°	5.7°
C9	N1	C12	C13	3.6°	174.4°
N1	C9	C8	H8	68.6°	70.3°
N1	C9	C8	H7	171.8°	169.3°
C9	N1	C10	H12	179.9°	175.0°
C9	N1	C10	H11	59.9°	64.4°
N1	C9	H10	H9	119.4°	120.4°
N1	C10	C11	H12	119.9°	119.8°
N1	C10	C11	H11	119.9°	119.7°
N1	C10	C11	N	57.9°	49.4°
C10	N1	C12	O1	2.8°	174.1°
C10	N1	C12	C13	178.2°	5.8°
N1	C10	H12	H11	120.3°	120.5°
N1	C10	C11	H14	62.2°	70.3°
N1	C10	C11	H13	178.0°	169.2°
C10	N1	C9	H10	177.4°	64.5°
C10	N1	C9	H9	63.0°	175.0°
C10	C11	N	H14	120.1°	119.7°
C10	C11	N	H13	120.1°	119.8°
C11	C10	N1	C12	118.3°	124.5°
C11	C10	H12	H11	120.3°	120.3°
C10	C11	H14	H13	119.7°	120.4°
C11	N	C8	H8	68.0°	64.5°
C11	N	C8	H7	172.5°	175.1°
N	C11	C10	H12	177.8°	169.2°
N	C11	C10	H11	62.0°	70.3°
N	C11	H14	H13	119.7°	120.5°
N1	C12	O1	C13	178.9°	179.9°
C12	N1	C10	H12	1.5°	4.8°
C12	N1	C10	H11	121.8°	115.8°
N1	C12	C13	H17	179.0°	5.6°
N1	C12	C13	H15	59.0°	114.4°
N1	C12	C13	H16	61.0°	125.5°
C12	N1	C9	H10	1.0°	115.7°
C12	N1	C9	H9	118.7°	4.8°
O1	C12	C13	H17	0.0°	174.5°
O1	C12	C13	H15	120.0°	65.5°
O1	C12	C13	H16	120.0°	54.5°
C12	C13	H17	H15	120.0°	120.1°
C12	C13	H17	H16	120.0°	120.0°
C12	C13	H15	H16	120.0°	120.0°
H5	C5	C6	H6	0.0°	0.1°
H8	C8	C9	H10	51.6°	169.9°
H8	C8	C9	H9	171.2°	49.4°
H7	C8	C9	H10	68.0°	49.5°
H7	C8	C9	H9	51.6°	71.0°
H12	C10	C11	H14	57.7°	49.5°
H12	C10	C11	H13	62.1°	71.0°
H11	C10	C11	H14	177.9°	169.9°
H11	C10	C11	H13	58.1°	49.4°
H17	C13	H15	H16	120.0°	119.9°
H2	C	H	H1	120.0°	120.0°
H3	C2	C3	H4	0.3°	0.0°

Release date:	2020-04-15
Definition date:	2020-04-08
Last modified:	2020-04-10
Release status:	REL
Processing site:	RCSB
Derived from:	5RGL