A1B14

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.32Å
O	C	doub	1.21Å	1.24Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.47Å
N1	C5	sing	1.35Å	1.35Å
O1	C5	doub	1.21Å	1.22Å
C5	C6	sing	1.51Å	1.53Å
C6	N2	sing	1.47Å	1.45Å
N2	C7	sing	1.47Å	1.47Å
C7	C8	sing	1.53Å	1.52Å
C8	O2	sing	1.43Å	1.45Å
O2	C9	sing	1.36Å	1.37Å
C9	C10	sing	1.39Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	CL	sing	1.74Å	1.74Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.39Å	Aromatic
C9	C14	doub	1.39Å	1.39Å	Aromatic
N2	C14	sing	1.40Å	1.45Å
C15	N1	sing	1.47Å	1.47Å
C1	C15	sing	1.53Å	1.53Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å
C13	H17	sing	1.08Å	1.08Å
C15	H19	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C11	H16	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.9°	120.0°
N	C	C1	115.9°	120.0°
C	N	H1	120.0°	120.1°
C	N	H2	120.0°	120.0°
O	C	C1	121.2°	120.0°
C	C1	C2	111.3°	109.5°
C	C1	C15	111.9°	109.7°
C	C1	H	108.6°	109.6°
C1	C2	C3	111.9°	109.7°
C2	C1	C15	108.1°	109.2°
C1	C2	H4	108.9°	109.2°
C1	C2	H3	108.9°	109.5°
C2	C1	H	108.4°	109.5°
C2	C3	C4	111.4°	109.3°
C2	C3	H6	109.0°	109.5°
C2	C3	H5	109.0°	109.5°
C3	C2	H4	108.9°	109.4°
C3	C2	H3	108.9°	109.5°
C3	C4	N1	111.4°	108.8°
C3	C4	H8	109.0°	109.6°
C3	C4	H7	109.0°	109.7°
C4	C3	H6	109.0°	109.5°
C4	C3	H5	109.0°	109.5°
C4	N1	C5	124.9°	120.7°
C4	N1	C15	115.3°	118.7°
N1	C4	H8	109.0°	109.6°
N1	C4	H7	109.0°	109.6°
N1	C5	O1	122.1°	120.0°
N1	C5	C6	117.1°	120.0°
C5	N1	C15	119.8°	120.6°
O1	C5	C6	120.7°	120.0°
C5	C6	N2	111.2°	109.4°
C5	C6	H10	109.0°	109.5°
C5	C6	H9	109.0°	109.4°
C6	N2	C7	116.2°	111.0°
C6	N2	C14	124.2°	111.0°
N2	C6	H10	109.0°	109.5°
N2	C6	H9	109.0°	109.5°
N2	C7	C8	111.4°	108.6°
C7	N2	C14	119.4°	112.1°
N2	C7	H11	109.0°	109.6°
N2	C7	H12	109.0°	109.8°
C7	C8	O2	112.8°	108.0°
C8	C7	H11	109.0°	109.6°
C8	C7	H12	109.0°	109.6°
C7	C8	H13	108.6°	109.8°
C7	C8	H14	108.6°	109.8°
C8	O2	C9	113.9°	116.6°
O2	C8	H13	108.7°	109.7°
O2	C8	H14	108.6°	109.7°
O2	C9	C10	118.0°	118.7°
O2	C9	C14	122.0°	121.4°
C9	C10	C11	119.6°	120.2°
C10	C9	C14	120.0°	119.9°
C9	C10	H15	120.2°	119.9°
C10	C11	C12	119.7°	120.0°
C11	C10	H15	120.2°	119.9°
C10	C11	H16	120.2°	120.0°
C11	C12	CL	118.9°	119.9°
C11	C12	C13	122.0°	120.1°
C12	C11	H16	120.1°	120.0°
CL	C12	C13	119.1°	120.0°
C12	C13	C14	117.6°	120.2°
C12	C13	H17	121.2°	119.9°
C13	C14	C9	121.1°	119.5°
C13	C14	N2	119.4°	118.6°
C14	C13	H17	121.2°	119.9°
C9	C14	N2	119.5°	121.9°
N1	C15	C1	110.1°	108.8°
N1	C15	H19	109.3°	109.6°
N1	C15	H18	109.3°	109.6°
C1	C15	H19	109.3°	109.6°
C1	C15	H18	109.3°	109.7°
C15	C1	H	108.5°	109.3°
H8	C4	H7	109.5°	109.6°
H10	C6	H9	109.5°	109.5°
H11	C7	H12	109.5°	109.7°
H13	C8	H14	109.5°	109.8°
H19	C15	H18	109.5°	109.6°
H6	C3	H5	109.5°	109.5°
H4	C2	H3	109.4°	109.5°
H1	N	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.1°	180.0°
N	C	C1	C2	107.6°	180.0°
N	C	C1	C15	131.4°	60.1°
N	C	C1	H	11.7°	59.8°
C	N	H1	H2	180.0°	180.0°
O	C	C1	C2	73.3°	0.0°
O	C	C1	C15	47.7°	119.9°
O	C	C1	H	167.5°	120.1°
O	C	N	H1	0.0°	180.0°
O	C	N	H2	180.0°	0.0°
C	C1	C2	C15	123.3°	120.2°
C	C1	C2	H	119.4°	120.2°
C	C1	C2	C3	179.7°	178.7°
C	C1	C15	N1	179.1°	174.6°
C	C1	C15	H	119.8°	120.2°
C	C1	C15	H19	59.0°	65.6°
C	C1	C15	H18	60.8°	54.7°
C	C1	C2	H4	59.3°	61.4°
C	C1	C2	H3	59.9°	58.5°
C1	C	N	H1	179.2°	0.1°
C1	C	N	H2	0.9°	180.0°
C1	C2	C3	H4	120.4°	119.7°
C1	C2	C3	H3	120.4°	120.2°
C1	C2	C3	C4	53.3°	61.1°
C2	C1	C15	N1	58.0°	54.5°
C2	C1	C15	H	117.3°	119.8°
C2	C1	C15	H19	178.1°	174.3°
C2	C1	C15	H18	62.1°	65.3°
C1	C2	C3	H6	67.0°	178.9°
C1	C2	C3	H5	173.6°	58.9°
C1	C2	H4	H3	118.9°	119.9°
C2	C3	C4	H6	120.3°	119.9°
C2	C3	C4	H5	120.3°	120.0°
C2	C3	C4	N1	49.3°	54.7°
C3	C2	C1	C15	57.0°	61.1°
C2	C3	C4	H8	169.6°	65.2°
C2	C3	C4	H7	71.0°	174.5°
C2	C3	H6	H5	119.1°	120.0°
C3	C2	H4	H3	118.9°	120.0°
C3	C2	C1	H	60.4°	58.6°
C3	C4	N1	H8	120.3°	119.8°
C3	C4	N1	H7	120.3°	119.9°
C3	C4	N1	C5	127.0°	126.3°
C3	C4	N1	C15	53.4°	53.9°
C3	C4	H8	H7	119.1°	120.4°
C4	C3	H6	H5	119.2°	120.1°
C4	C3	C2	H4	173.7°	58.6°
C4	C3	C2	H3	67.1°	178.6°
C4	N1	C5	C15	179.6°	179.8°
C4	N1	C5	O1	167.7°	180.0°
C4	N1	C5	C6	10.5°	0.0°
C4	N1	C15	C1	58.4°	53.9°
N1	C4	H8	H7	119.1°	120.3°
C4	N1	C15	H19	178.5°	173.6°
C4	N1	C15	H18	61.7°	66.0°
N1	C4	C3	H6	71.0°	174.6°
N1	C4	C3	H5	169.5°	65.3°
N1	C5	O1	C6	178.2°	180.0°
N1	C5	C6	N2	175.6°	174.4°
C5	N1	C15	C1	122.0°	126.4°
C5	N1	C4	H8	6.7°	113.9°
C5	N1	C4	H7	112.7°	6.4°
N1	C5	C6	H10	55.3°	54.3°
N1	C5	C6	H9	64.2°	65.7°
C5	N1	C15	H19	1.9°	6.6°
C5	N1	C15	H18	117.9°	113.7°
O1	C5	C6	N2	2.6°	5.6°
O1	C5	N1	C15	12.7°	0.2°
O1	C5	C6	H10	122.9°	125.6°
O1	C5	C6	H9	117.6°	114.3°
C5	C6	N2	H10	120.3°	120.0°
C5	C6	N2	H9	120.2°	119.9°
C5	C6	N2	C7	102.7°	68.6°
C5	C6	N2	C14	71.1°	166.1°
C6	C5	N1	C15	169.1°	179.8°
C5	C6	H10	H9	119.2°	120.0°
C6	N2	C7	C14	174.2°	124.7°
C6	N2	C7	C8	156.7°	175.1°
C6	N2	C14	C13	1.2°	35.3°
C6	N2	C14	C9	179.8°	145.1°
N2	C6	H10	H9	119.2°	120.0°
C6	N2	C7	H11	83.0°	55.4°
C6	N2	C7	H12	36.4°	65.1°
N2	C7	C8	H11	120.3°	119.7°
N2	C7	C8	H12	120.3°	119.9°
N2	C7	C8	O2	46.4°	63.2°
C7	N2	C14	C13	172.4°	159.9°
C7	N2	C14	C9	6.5°	20.4°
C7	N2	C6	H10	137.0°	51.5°
C7	N2	C6	H9	17.5°	171.5°
N2	C7	H11	H12	119.1°	120.6°
N2	C7	C8	H13	166.9°	56.4°
N2	C7	C8	H14	74.1°	177.2°
C7	C8	O2	H13	120.5°	119.6°
C7	C8	O2	H14	120.5°	119.6°
C7	C8	O2	C9	52.7°	45.3°
C8	C7	N2	C14	17.4°	50.4°
C8	C7	H11	H12	119.1°	120.3°
C7	C8	H13	H14	118.5°	120.8°
C8	O2	C9	C10	149.2°	165.2°
C8	O2	C9	C14	28.4°	15.1°
O2	C8	C7	H11	73.9°	56.5°
O2	C8	C7	H12	166.7°	176.9°
O2	C8	H13	H14	118.5°	120.7°
O2	C9	C10	C14	177.7°	179.6°
O2	C9	C10	C11	176.3°	179.5°
O2	C9	C14	C13	177.3°	179.4°
O2	C9	C14	N2	1.7°	0.9°
C9	O2	C8	H13	173.1°	74.3°
C9	O2	C8	H14	67.9°	164.9°
O2	C9	C10	H15	3.8°	0.6°
C9	C10	C11	H15	180.0°	179.9°
C9	C10	C11	C12	1.8°	0.0°
C10	C9	C14	C13	0.3°	0.2°
C10	C9	C14	N2	179.3°	179.5°
C9	C10	C11	H16	178.2°	180.0°
C10	C11	C12	H16	180.0°	180.0°
C10	C11	C12	CL	177.8°	179.9°
C10	C11	C12	C13	1.1°	0.1°
C11	C10	C9	C14	1.4°	0.1°
C11	C12	CL	C13	178.9°	179.9°
C11	C12	C13	C14	0.0°	0.0°
C12	C11	C10	H15	178.2°	179.9°
C11	C12	C13	H17	180.0°	180.0°
CL	C12	C13	C14	178.9°	179.9°
CL	C12	C13	H17	1.1°	0.0°
CL	C12	C11	H16	2.2°	0.1°
C12	C13	C14	H17	180.0°	180.0°
C12	C13	C14	C9	0.4°	0.1°
C12	C13	C14	N2	178.6°	179.5°
C13	C12	C11	H16	178.9°	180.0°
C13	C14	C9	N2	179.0°	179.6°
C14	C9	C10	H15	178.6°	179.8°
C9	C14	C13	H17	179.6°	179.9°
C14	N2	C6	H10	49.1°	73.9°
C14	N2	C6	H9	168.6°	46.2°
C14	N2	C7	H11	102.9°	69.3°
C14	N2	C7	H12	137.7°	170.2°
N2	C14	C13	H17	1.4°	0.5°
N1	C15	C1	H19	120.1°	119.8°
N1	C15	C1	H18	120.1°	119.8°
C15	N1	C4	H8	173.7°	65.9°
C15	N1	C4	H7	66.9°	173.8°
N1	C15	H19	H18	119.7°	120.3°
N1	C15	C1	H	59.3°	65.3°
C1	C15	H19	H18	119.7°	120.4°
C15	C1	C2	H4	177.4°	58.8°
C15	C1	C2	H3	63.3°	178.7°
H8	C4	C3	H6	49.3°	54.8°
H8	C4	C3	H5	70.1°	174.8°
H7	C4	C3	H6	168.7°	65.6°
H7	C4	C3	H5	49.3°	54.5°
H11	C7	C8	H13	46.6°	176.1°
H11	C7	C8	H14	165.6°	63.1°
H12	C7	C8	H13	72.8°	63.5°
H12	C7	C8	H14	46.2°	57.3°
H15	C10	C11	H16	1.8°	0.1°
H19	C15	C1	H	60.8°	54.5°
H18	C15	C1	H	179.4°	174.9°
H6	C3	C2	H4	53.4°	61.4°
H6	C3	C2	H3	172.6°	58.7°
H5	C3	C2	H4	66.0°	178.6°
H5	C3	C2	H3	53.2°	61.4°
H4	C2	C1	H	60.0°	178.4°
H3	C2	C1	H	179.3°	61.7°

Release date:	2025-04-02
Definition date:	2025-03-21
Last modified:	2025-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	7I3O