L3I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C3	doub	1.32Å	1.34Å	Aromatic
N	C4	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C5	C1	sing	1.39Å	1.41Å	Aromatic
C5	N1	sing	1.40Å	1.41Å
C1	C	sing	1.51Å	1.51Å
CL	C14	sing	1.74Å	1.74Å
N1	C6	sing	1.35Å	1.35Å
O	C6	doub	1.21Å	1.22Å
C6	C7	sing	1.51Å	1.54Å
C14	C15	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C15	C10	sing	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C7	C10	sing	1.51Å	1.54Å
C7	C9	sing	1.53Å	1.54Å
C7	C8	sing	1.53Å	1.54Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.08Å	1.08Å
C2	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N	C4	117.3°	121.8°
N	C3	C2	123.6°	120.9°
N	C3	H16	118.2°	119.6°
N	C4	C5	123.6°	120.6°
N	C4	H2	118.2°	119.7°
C3	C2	C1	119.6°	119.2°
C2	C3	H16	118.2°	119.5°
C3	C2	H17	120.2°	120.4°
C4	C5	C1	118.5°	119.0°
C4	C5	N1	121.8°	120.4°
C5	C4	H2	118.2°	119.7°
C2	C1	C5	117.3°	118.4°
C2	C1	C	120.6°	120.8°
C1	C2	H17	120.2°	120.4°
C1	C5	N1	119.5°	120.5°
C5	C1	C	122.0°	120.8°
C5	N1	C6	124.0°	120.0°
C5	N1	H1	118.0°	120.1°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.5°
CL	C14	C15	118.8°	120.0°
CL	C14	C13	119.2°	120.1°
N1	C6	O	122.9°	120.0°
N1	C6	C7	116.6°	120.0°
C6	N1	H1	118.0°	119.9°
O	C6	C7	120.5°	120.0°
C6	C7	C10	108.9°	109.5°
C6	C7	C9	111.8°	109.5°
C6	C7	C8	106.8°	109.5°
C15	C14	C13	121.9°	120.0°
C14	C15	C10	119.6°	120.0°
C14	C15	H7	120.2°	120.0°
C14	C13	C12	118.6°	120.0°
C14	C13	H6	120.7°	120.0°
C15	C10	C7	119.5°	120.0°
C15	C10	C11	118.8°	120.0°
C10	C15	H7	120.2°	120.0°
C13	C12	C11	120.3°	120.0°
C12	C13	H6	120.7°	120.0°
C13	C12	H8	119.9°	120.0°
C10	C7	C9	109.2°	109.5°
C10	C7	C8	112.5°	109.4°
C7	C10	C11	121.6°	120.0°
C9	C7	C8	107.7°	109.4°
C7	C9	H10	109.5°	109.5°
C7	C9	H11	109.5°	109.5°
C7	C9	H12	109.4°	109.5°
C7	C8	H3	109.5°	109.5°
C7	C8	H4	109.5°	109.5°
C7	C8	H5	109.4°	109.4°
C10	C11	C12	120.8°	120.1°
C10	C11	H9	119.6°	119.9°
C11	C12	H8	119.9°	120.0°
C12	C11	H9	119.6°	120.0°
H3	C8	H4	109.5°	109.5°
H3	C8	H5	109.5°	109.5°
H4	C8	H5	109.5°	109.5°
H10	C9	H11	109.4°	109.5°
H10	C9	H12	109.5°	109.5°
H11	C9	H12	109.5°	109.5°
H13	C	H14	109.4°	109.4°
H13	C	H15	109.5°	109.5°
H14	C	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C3	C2	H16	180.0°	179.5°
C3	N	C4	C5	2.0°	0.0°
N	C3	C2	C1	1.3°	0.8°
C3	N	C4	H2	178.0°	179.8°
N	C3	C2	H17	178.7°	180.0°
C4	N	C3	C2	0.4°	0.5°
N	C4	C5	H2	180.0°	179.8°
N	C4	C5	C1	1.8°	0.2°
N	C4	C5	N1	173.9°	179.8°
C4	N	C3	H16	179.6°	180.0°
C3	C2	C1	H17	180.0°	179.2°
C3	C2	C1	C5	1.5°	0.5°
C3	C2	C1	C	175.1°	179.5°
C4	C5	C1	C2	0.0°	0.0°
C4	C5	C1	N1	175.8°	180.0°
C4	C5	C1	C	176.5°	180.0°
C4	C5	N1	C6	75.3°	24.8°
C4	C5	N1	H1	104.7°	155.0°
C2	C1	C5	C	176.6°	180.0°
C2	C1	C5	N1	175.9°	180.0°
C2	C1	C	H13	91.7°	90.0°
C2	C1	C	H14	148.3°	30.0°
C2	C1	C	H15	28.3°	150.0°
C1	C2	C3	H16	178.6°	179.7°
C1	C5	N1	C6	100.4°	155.2°
C1	C5	N1	H1	79.6°	25.0°
C1	C5	C4	H2	178.2°	180.0°
C5	C1	C	H13	91.8°	90.0°
C5	C1	C	H14	28.2°	150.0°
C5	C1	C	H15	148.1°	30.0°
C5	C1	C2	H17	178.5°	179.7°
N1	C5	C1	C	0.7°	0.0°
C5	N1	C6	H1	180.0°	179.8°
C5	N1	C6	O	4.0°	5.7°
C5	N1	C6	C7	173.7°	174.4°
N1	C5	C4	H2	6.1°	0.0°
C1	C	H13	H14	120.0°	120.0°
C1	C	H13	H15	120.0°	120.0°
C1	C	H14	H15	120.0°	120.0°
C	C1	C2	H17	4.9°	0.3°
CL	C14	C15	C13	176.5°	179.9°
CL	C14	C15	C10	174.6°	180.0°
CL	C14	C13	C12	173.8°	179.7°
CL	C14	C13	H6	6.2°	0.0°
CL	C14	C15	H7	5.4°	0.1°
N1	C6	O	C7	177.7°	180.0°
N1	C6	C7	C10	150.0°	175.0°
N1	C6	C7	C9	29.3°	55.0°
N1	C6	C7	C8	88.3°	65.0°
O	C6	C7	C10	32.2°	5.0°
O	C6	C7	C9	152.9°	125.0°
O	C6	C7	C8	89.5°	115.0°
O	C6	N1	H1	176.0°	174.6°
C6	C7	C10	C15	70.2°	115.2°
C6	C7	C10	C9	122.3°	120.0°
C6	C7	C10	C8	118.2°	120.0°
C6	C7	C9	C8	117.1°	120.0°
C6	C7	C10	C11	107.1°	65.1°
C7	C6	N1	H1	6.3°	5.4°
C6	C7	C8	H3	180.0°	60.0°
C6	C7	C8	H4	60.0°	180.0°
C6	C7	C8	H5	60.0°	60.0°
C6	C7	C9	H10	180.0°	60.0°
C6	C7	C9	H11	60.0°	180.0°
C6	C7	C9	H12	60.0°	60.0°
C14	C15	C10	H7	180.0°	179.9°
C15	C14	C13	C12	2.7°	0.2°
C14	C15	C10	C7	177.0°	180.0°
C14	C15	C10	C11	0.4°	0.3°
C15	C14	C13	H6	177.3°	179.9°
C13	C14	C15	C10	1.9°	0.0°
C14	C13	C12	H6	180.0°	179.7°
C14	C13	C12	C11	1.1°	0.3°
C13	C14	C15	H7	178.1°	179.9°
C14	C13	C12	H8	178.9°	179.7°
C15	C10	C7	C11	177.3°	179.7°
C15	C10	C7	C9	52.1°	4.8°
C15	C10	C7	C8	171.6°	124.8°
C15	C10	C11	C12	1.9°	0.3°
C15	C10	C11	H9	178.1°	179.7°
C13	C12	C11	C10	1.2°	0.0°
C13	C12	C11	H8	180.0°	179.9°
C13	C12	C11	H9	178.8°	180.0°
C10	C7	C9	C8	122.4°	119.9°
C7	C10	C11	C12	175.4°	180.0°
C10	C7	C8	H3	60.6°	60.0°
C10	C7	C8	H4	59.4°	60.0°
C10	C7	C8	H5	179.4°	180.0°
C7	C10	C15	H7	3.0°	0.1°
C7	C10	C11	H9	4.6°	0.0°
C10	C7	C9	H10	59.5°	180.0°
C10	C7	C9	H11	179.5°	60.0°
C10	C7	C9	H12	60.5°	60.0°
C9	C7	C10	C11	130.6°	174.9°
C9	C7	C8	H3	59.8°	180.0°
C9	C7	C8	H4	179.8°	60.0°
C9	C7	C8	H5	60.3°	60.0°
C7	C9	H10	H11	120.0°	120.0°
C7	C9	H10	H12	120.0°	120.0°
C7	C9	H11	H12	120.0°	120.0°
C8	C7	C10	C11	11.0°	55.0°
C7	C8	H3	H4	120.0°	120.1°
C7	C8	H3	H5	120.0°	119.9°
C7	C8	H4	H5	119.9°	119.9°
C8	C7	C9	H10	62.9°	60.0°
C8	C7	C9	H11	57.1°	60.0°
C8	C7	C9	H12	177.1°	180.0°
C10	C11	C12	H9	180.0°	180.0°
C11	C10	C15	H7	179.6°	179.8°
C10	C11	C12	H8	178.8°	179.9°
C11	C12	C13	H6	178.9°	179.9°
H3	C8	H4	H5	120.0°	120.0°
H6	C13	C12	H8	1.1°	0.0°
H8	C12	C11	H9	1.2°	0.1°
H10	C9	H11	H12	120.0°	120.0°
H13	C	H14	H15	120.0°	120.0°
H16	C3	C2	H17	1.4°	0.5°

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