T4N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	C17	doub	1.21Å	1.23Å
C17	C11	sing	1.50Å	1.54Å
C17	N16	sing	1.32Å	1.39Å
C11	C10	sing	1.53Å	1.52Å
C11	S13	sing	1.82Å	1.84Å
C10	C8	sing	1.51Å	1.49Å
C15	N16	sing	1.45Å	1.45Å
C15	C14	sing	1.53Å	1.52Å
C14	S13	sing	1.82Å	1.84Å
O9	C8	doub	1.21Å	1.22Å
C8	N7	sing	1.35Å	1.37Å
N7	C6	sing	1.40Å	1.40Å
C6	C19	doub	1.39Å	1.41Å	Aromatic
C6	C5	sing	1.39Å	1.40Å	Aromatic
C19	C20	sing	1.38Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.40Å	Aromatic
C20	C3	doub	1.39Å	1.40Å	Aromatic
C4	C3	sing	1.39Å	1.40Å	Aromatic
C3	O2	sing	1.36Å	1.37Å
C1	O2	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C19	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C4	H13	sing	1.08Å	1.08Å
C5	H14	sing	1.08Å	1.08Å
N7	H15	sing	0.97Å	1.00Å
N16	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	C17	C11	123.0°	116.9°
O18	C17	N16	123.5°	116.8°
C11	C17	N16	113.5°	126.3°
C17	C11	C10	108.9°	109.5°
C17	C11	S13	113.0°	109.1°
C17	C11	H6	108.1°	109.6°
C17	N16	C15	121.7°	129.9°
C17	N16	H16	119.1°	115.0°
C10	C11	S13	113.2°	109.5°
C11	C10	C8	115.1°	109.5°
C11	C10	H4	108.0°	109.5°
C11	C10	H5	108.0°	109.5°
C10	C11	H6	108.4°	109.6°
C11	S13	C14	103.4°	101.2°
S13	C11	H6	105.0°	109.5°
C10	C8	O9	123.7°	120.0°
C10	C8	N7	108.0°	120.0°
C8	C10	H4	108.0°	109.4°
C8	C10	H5	108.1°	109.5°
N16	C15	C14	111.0°	112.4°
N16	C15	H9	109.1°	108.9°
N16	C15	H10	109.1°	109.0°
C15	N16	H16	119.2°	115.1°
C15	C14	S13	115.0°	108.3°
C15	C14	H7	108.1°	109.7°
C15	C14	H8	108.0°	109.8°
C14	C15	H9	109.1°	108.9°
C14	C15	H10	109.1°	108.9°
S13	C14	H7	108.1°	109.7°
S13	C14	H8	108.1°	109.7°
O9	C8	N7	128.2°	120.0°
C8	N7	C6	125.9°	120.0°
C8	N7	H15	117.0°	120.0°
N7	C6	C19	123.3°	120.0°
N7	C6	C5	115.2°	120.1°
C6	N7	H15	117.1°	120.0°
C19	C6	C5	121.4°	119.9°
C6	C19	C20	119.1°	120.0°
C6	C19	H11	120.4°	120.1°
C6	C5	C4	119.9°	120.0°
C6	C5	H14	120.1°	120.0°
C19	C20	C3	118.9°	120.0°
C20	C19	H11	120.5°	119.9°
C19	C20	H12	120.5°	120.0°
C5	C4	C3	118.6°	120.0°
C5	C4	H13	120.7°	120.0°
C4	C5	H14	120.1°	120.0°
C20	C3	C4	122.1°	120.0°
C20	C3	O2	119.5°	120.0°
C3	C20	H12	120.6°	120.0°
C4	C3	O2	118.4°	120.0°
C3	C4	H13	120.7°	119.9°
C3	O2	C1	106.5°	117.0°
O2	C1	H1	109.5°	109.5°
O2	C1	H2	109.5°	109.4°
O2	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H4	C10	H5	109.5°	109.5°
H7	C14	H8	109.5°	109.7°
H9	C15	H10	109.5°	108.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	C17	C11	N16	178.3°	180.0°
O18	C17	C11	C10	54.2°	39.6°
O18	C17	C11	S13	179.2°	159.4°
O18	C17	N16	C15	117.7°	173.5°
O18	C17	C11	H6	63.4°	80.7°
O18	C17	N16	H16	62.3°	6.5°
C17	C11	C10	S13	126.6°	119.6°
C17	C11	C10	H6	117.4°	120.2°
C17	C11	S13	H6	117.6°	120.0°
C17	C11	C10	C8	125.6°	175.4°
C11	C17	N16	C15	60.6°	6.5°
C17	C11	S13	C14	39.4°	44.1°
C17	C11	C10	H4	4.8°	55.5°
C17	C11	C10	H5	113.5°	64.6°
C11	C17	N16	H16	119.4°	173.5°
N16	C17	C11	C10	127.6°	140.4°
N16	C17	C11	S13	0.9°	20.6°
C17	N16	C15	H16	180.0°	180.0°
C17	N16	C15	C14	66.8°	23.7°
N16	C17	C11	H6	114.9°	99.4°
C17	N16	C15	H9	53.4°	97.1°
C17	N16	C15	H10	173.0°	144.4°
C10	C11	S13	H6	118.0°	120.2°
C11	C10	C8	H4	120.8°	120.0°
C11	C10	C8	H5	120.8°	120.0°
C10	C11	S13	C14	163.8°	163.9°
C11	C10	C8	O9	92.1°	0.0°
C11	C10	C8	N7	88.9°	180.0°
C11	C10	H4	H5	117.4°	120.0°
S13	C11	C10	C8	1.0°	65.0°
C11	S13	C14	C15	33.7°	61.4°
S13	C11	C10	H4	121.8°	175.0°
S13	C11	C10	H5	119.9°	55.0°
C11	S13	C14	H7	87.1°	58.3°
C11	S13	C14	H8	154.5°	178.8°
C10	C8	O9	N7	178.8°	180.0°
C10	C8	N7	C6	166.2°	175.4°
C8	C10	H4	H5	117.4°	120.0°
C8	C10	C11	H6	117.0°	55.1°
C10	C8	N7	H15	13.8°	4.5°
N16	C15	C14	H9	120.3°	120.8°
N16	C15	C14	H10	120.2°	120.8°
N16	C15	C14	S13	9.4°	51.8°
N16	C15	C14	H7	130.2°	67.9°
N16	C15	C14	H8	111.4°	171.5°
N16	C15	H9	H10	119.3°	118.6°
C15	C14	S13	H7	120.8°	119.7°
C15	C14	S13	H8	120.8°	119.8°
C15	C14	H7	H8	117.4°	120.7°
C14	C15	H9	H10	119.3°	118.5°
C14	C15	N16	H16	113.1°	156.3°
C14	S13	C11	H6	78.2°	75.9°
S13	C14	H7	H8	117.5°	120.5°
S13	C14	C15	H9	110.9°	69.0°
S13	C14	C15	H10	129.6°	172.6°
O9	C8	N7	C6	12.8°	4.7°
O9	C8	C10	H4	147.1°	120.0°
O9	C8	C10	H5	28.7°	120.0°
O9	C8	N7	H15	167.3°	175.4°
C8	N7	C6	H15	180.0°	179.9°
C8	N7	C6	C19	37.5°	35.2°
C8	N7	C6	C5	146.3°	145.2°
N7	C8	C10	H4	31.9°	60.0°
N7	C8	C10	H5	150.3°	60.0°
N7	C6	C19	C5	176.0°	179.7°
N7	C6	C19	C20	178.0°	180.0°
N7	C6	C5	C4	177.0°	179.9°
N7	C6	C19	H11	2.0°	0.1°
N7	C6	C5	H14	3.0°	0.1°
C6	C19	C20	H11	180.0°	180.0°
C19	C6	C5	C4	0.7°	0.3°
C6	C19	C20	C3	1.3°	0.1°
C6	C19	C20	H12	178.7°	180.0°
C19	C6	C5	H14	179.3°	179.8°
C19	C6	N7	H15	142.5°	144.9°
C5	C6	C19	C20	2.0°	0.3°
C6	C5	C4	H14	180.0°	180.0°
C6	C5	C4	C3	1.3°	0.0°
C5	C6	C19	H11	178.0°	179.7°
C6	C5	C4	H13	178.7°	180.0°
C5	C6	N7	H15	33.7°	34.7°
C19	C20	C3	H12	180.0°	179.9°
C19	C20	C3	C4	0.7°	0.2°
C19	C20	C3	O2	179.7°	179.9°
C5	C4	C3	C20	2.0°	0.3°
C5	C4	C3	H13	180.0°	180.0°
C5	C4	C3	O2	178.4°	180.0°
C20	C3	C4	O2	179.6°	179.7°
C20	C3	O2	C1	115.6°	180.0°
C3	C20	C19	H11	178.7°	180.0°
C20	C3	C4	H13	178.0°	179.8°
C4	C3	O2	C1	64.8°	0.3°
C4	C3	C20	H12	179.3°	179.7°
C3	C4	C5	H14	178.7°	180.0°
C3	O2	C1	H1	180.0°	180.0°
C3	O2	C1	H2	60.0°	60.0°
C3	O2	C1	H3	60.0°	59.9°
O2	C3	C20	H12	0.3°	0.0°
O2	C3	C4	H13	1.6°	0.0°
O2	C1	H1	H2	120.0°	120.0°
O2	C1	H1	H3	120.0°	120.0°
O2	C1	H2	H3	120.0°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H4	C10	C11	H6	122.2°	64.8°
H5	C10	C11	H6	3.8°	175.2°
H7	C14	C15	H9	10.0°	171.4°
H7	C14	C15	H10	109.6°	52.9°
H8	C14	C15	H9	128.3°	50.8°
H8	C14	C15	H10	8.8°	67.7°
H9	C15	N16	H16	126.6°	82.9°
H10	C15	N16	H16	7.0°	35.6°
H11	C19	C20	H12	1.3°	0.0°
H13	C4	C5	H14	1.3°	0.0°

Release date:	2021-03-03
Definition date:	2020-12-14
Last modified:	2021-02-26
Release status:	REL
Processing site:	PDBE
Derived from:	7B9L