L5I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C9	doub	1.32Å	1.34Å	Aromatic
N1	C8	sing	1.32Å	1.34Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.39Å	1.40Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C7	C11	sing	1.39Å	1.41Å	Aromatic
C7	N	sing	1.40Å	1.41Å
C11	C12	sing	1.51Å	1.51Å
O	C6	doub	1.21Å	1.23Å
N	C6	sing	1.35Å	1.35Å
C6	C1	sing	1.51Å	1.51Å
C2	C1	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C1	C	sing	1.53Å	1.53Å
C5	C3	sing	1.53Å	1.49Å
C5	C4	sing	1.53Å	1.49Å
C3	C4	sing	1.53Å	1.49Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
N	H14	sing	0.97Å	1.00Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N1	C8	117.4°	121.7°
N1	C9	C10	123.5°	120.9°
N1	C9	H18	118.2°	119.5°
N1	C8	C7	123.5°	120.7°
N1	C8	H5	118.3°	119.6°
C9	C10	C11	119.6°	119.3°
C9	C10	H6	120.2°	120.4°
C10	C9	H18	118.2°	119.5°
C8	C7	C11	118.6°	119.0°
C8	C7	N	121.6°	120.5°
C7	C8	H5	118.3°	119.7°
C10	C11	C7	117.4°	118.3°
C10	C11	C12	120.5°	120.9°
C11	C10	H6	120.2°	120.4°
C11	C7	N	119.8°	120.4°
C7	C11	C12	122.1°	120.8°
C7	N	C6	124.7°	120.0°
C7	N	H14	117.6°	120.1°
C11	C12	H15	109.5°	109.5°
C11	C12	H16	109.5°	109.4°
C11	C12	H17	109.4°	109.5°
O	C6	N	124.1°	120.0°
O	C6	C1	121.4°	120.0°
N	C6	C1	114.5°	120.0°
C6	N	H14	117.7°	120.0°
C6	C1	C2	108.7°	109.5°
C6	C1	C	108.0°	109.5°
C6	C1	H7	109.7°	109.5°
C1	C2	C3	116.7°	109.5°
C2	C1	C	111.7°	109.5°
C2	C1	H7	109.3°	109.5°
C1	C2	H8	107.7°	109.5°
C1	C2	H9	107.6°	109.5°
C2	C3	C5	119.0°	117.5°
C2	C3	C4	119.3°	117.5°
C3	C2	H8	107.6°	109.5°
C3	C2	H9	107.6°	109.4°
C2	C3	H10	115.4°	115.5°
C	C1	H7	109.4°	109.5°
C1	C	H11	109.5°	109.4°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.5°
C3	C5	C4	60.2°	60.0°
C5	C3	C4	59.9°	60.0°
C3	C5	H3	120.0°	117.5°
C3	C5	H4	120.0°	117.5°
C5	C3	H10	116.0°	117.5°
C5	C4	C3	59.8°	60.0°
C5	C4	H1	120.0°	117.5°
C5	C4	H2	120.0°	117.5°
C4	C5	H3	120.0°	117.5°
C4	C5	H4	120.0°	117.5°
C3	C4	H1	120.0°	117.5°
C3	C4	H2	120.0°	117.5°
C4	C3	H10	115.9°	117.5°
H1	C4	H2	109.5°	115.6°
H3	C5	H4	109.5°	115.6°
H8	C2	H9	109.5°	109.5°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.4°	109.5°
H15	C12	H16	109.5°	109.5°
H15	C12	H17	109.5°	109.5°
H16	C12	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C9	C10	H18	180.0°	180.0°
C9	N1	C8	C7	0.4°	0.0°
N1	C9	C10	C11	0.0°	0.0°
C9	N1	C8	H5	179.6°	180.0°
N1	C9	C10	H6	179.9°	180.0°
C8	N1	C9	C10	0.4°	0.0°
N1	C8	C7	H5	180.0°	180.0°
N1	C8	C7	C11	0.0°	0.0°
N1	C8	C7	N	178.0°	180.0°
C8	N1	C9	H18	179.6°	180.0°
C9	C10	C11	H6	180.0°	180.0°
C9	C10	C11	C7	0.3°	0.0°
C9	C10	C11	C12	177.1°	179.9°
C8	C7	C11	C10	0.3°	0.0°
C8	C7	C11	N	178.1°	180.0°
C8	C7	C11	C12	177.0°	179.9°
C8	C7	N	C6	73.5°	24.7°
C8	C7	N	H14	106.5°	155.2°
C10	C11	C7	C12	177.3°	179.9°
C10	C11	C7	N	178.4°	180.0°
C10	C11	C12	H15	91.3°	90.1°
C10	C11	C12	H16	148.7°	29.9°
C10	C11	C12	H17	28.7°	149.9°
C11	C10	C9	H18	180.0°	180.0°
C11	C7	N	C6	104.5°	155.3°
C11	C7	C8	H5	180.0°	180.0°
C7	C11	C10	H6	179.7°	180.0°
C11	C7	N	H14	75.5°	24.8°
C7	C11	C12	H15	91.4°	90.0°
C7	C11	C12	H16	28.6°	150.0°
C7	C11	C12	H17	148.6°	30.0°
N	C7	C11	C12	1.0°	0.1°
C7	N	C6	O	0.6°	5.6°
C7	N	C6	H14	180.0°	179.9°
C7	N	C6	C1	179.8°	174.5°
N	C7	C8	H5	2.0°	0.0°
C12	C11	C10	H6	2.9°	0.1°
C11	C12	H15	H16	120.0°	120.0°
C11	C12	H15	H17	120.0°	120.0°
C11	C12	H16	H17	120.0°	120.0°
O	C6	N	C1	179.7°	179.9°
O	C6	C1	C2	55.4°	0.0°
O	C6	C1	C	65.9°	120.0°
O	C6	C1	H7	174.9°	120.0°
O	C6	N	H14	179.4°	174.5°
N	C6	C1	C2	124.2°	180.0°
N	C6	C1	C	114.4°	60.0°
N	C6	C1	H7	4.8°	59.9°
C6	C1	C2	C	119.0°	120.0°
C6	C1	C2	H7	119.7°	120.0°
C6	C1	C2	C3	171.4°	175.0°
C6	C1	C	H7	119.3°	120.0°
C6	C1	C2	H8	67.6°	55.0°
C6	C1	C2	H9	50.3°	65.0°
C6	C1	C	H11	180.0°	60.0°
C6	C1	C	H12	60.0°	179.9°
C6	C1	C	H13	60.0°	60.0°
C1	C6	N	H14	0.2°	5.5°
C1	C2	C3	H8	121.1°	120.0°
C1	C2	C3	H9	121.0°	120.0°
C2	C1	C	H7	121.2°	120.0°
C1	C2	C3	C5	178.1°	175.0°
C1	C2	C3	C4	108.4°	116.3°
C1	C2	H8	H9	116.7°	120.0°
C1	C2	C3	H10	36.8°	29.3°
C2	C1	C	H11	60.6°	180.0°
C2	C1	C	H12	59.5°	60.0°
C2	C1	C	H13	179.4°	60.0°
C3	C2	C1	C	52.3°	65.0°
C2	C3	C5	C4	109.0°	107.5°
C2	C3	C5	H10	144.8°	145.0°
C2	C3	C4	H10	145.0°	144.9°
C2	C3	C4	H1	142.1°	145.0°
C2	C3	C4	H2	0.9°	0.1°
C2	C3	C5	H3	141.5°	0.0°
C2	C3	C5	H4	0.5°	145.0°
C3	C2	C1	H7	68.9°	55.0°
C3	C2	H8	H9	116.7°	120.0°
C	C1	C2	H8	173.4°	175.0°
C	C1	C2	H9	68.7°	55.0°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	119.9°
C1	C	H12	H13	120.0°	120.0°
C3	C5	C4	H3	109.5°	107.5°
C3	C5	C4	H4	109.5°	107.5°
C5	C3	C4	H10	106.4°	107.5°
C3	C5	C4	H1	109.4°	107.5°
C3	C5	C4	H2	109.4°	107.5°
C3	C5	H3	H4	144.6°	145.7°
C5	C3	C2	H8	60.8°	55.0°
C5	C3	C2	H9	57.1°	65.0°
C5	C4	H1	H2	144.8°	145.6°
C4	C5	H3	H4	144.6°	145.7°
C3	C4	H1	H2	144.8°	145.8°
C4	C3	C2	H8	130.6°	123.7°
C4	C3	C2	H9	12.7°	3.6°
H1	C4	C5	H3	0.1°	145.0°
H1	C4	C5	H4	141.0°	0.0°
H1	C4	C3	H10	3.0°	0.1°
H2	C4	C5	H3	141.1°	0.0°
H2	C4	C5	H4	0.1°	145.0°
H2	C4	C3	H10	144.1°	145.0°
H3	C5	C3	H10	3.3°	145.0°
H4	C5	C3	H10	144.3°	0.0°
H6	C10	C9	H18	0.0°	0.0°
H7	C1	C2	H8	52.1°	65.0°
H7	C1	C2	H9	170.0°	175.0°
H7	C1	C	H11	60.7°	60.0°
H7	C1	C	H12	179.3°	60.0°
H7	C1	C	H13	59.4°	179.9°
H8	C2	C3	H10	84.2°	90.7°
H9	C2	C3	H10	157.9°	149.3°
H11	C	H12	H13	120.0°	120.0°
H15	C12	H16	H17	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GBY