T6N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.53Å	1.53Å
C11	N	sing	1.47Å	1.46Å
C12	S	sing	1.81Å	1.82Å
N	C10	sing	1.35Å	1.34Å
O1	C10	doub	1.21Å	1.22Å
C10	C1	sing	1.51Å	1.53Å
C9	C1	sing	1.53Å	1.52Å
C1	O	sing	1.43Å	1.44Å
C1	C	sing	1.53Å	1.53Å
O	C2	sing	1.36Å	1.38Å
C2	C3	doub	1.39Å	1.41Å	Aromatic
C2	C8	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.40Å	Aromatic
C7	C5	sing	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.51Å	1.51Å
C3	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
N	H13	sing	0.97Å	1.00Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C4	H17	sing	1.08Å	1.08Å
C7	H18	sing	1.08Å	1.08Å
S	H19	sing	1.34Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	N	114.8°	109.5°
C11	C12	S	113.3°	109.5°
C12	C11	H9	108.1°	109.5°
C12	C11	H10	108.1°	109.5°
C11	C12	H11	108.5°	109.4°
C11	C12	H12	108.5°	109.5°
C11	N	C10	122.7°	120.0°
N	C11	H9	108.1°	109.5°
N	C11	H10	108.1°	109.5°
C11	N	H13	118.6°	120.0°
S	C12	H11	108.5°	109.5°
S	C12	H12	108.5°	109.5°
C12	S	H19	102.0°	103.0°
N	C10	O1	120.9°	120.0°
N	C10	C1	117.7°	120.0°
C10	N	H13	118.7°	120.1°
O1	C10	C1	121.5°	120.1°
C10	C1	C9	108.3°	109.5°
C10	C1	O	110.9°	109.5°
C10	C1	C	114.5°	109.5°
C9	C1	O	106.0°	109.4°
C9	C1	C	107.5°	109.4°
C1	C9	H6	109.5°	109.5°
C1	C9	H7	109.5°	109.5°
C1	C9	H8	109.5°	109.4°
O	C1	C	109.2°	109.5°
C1	O	C2	127.0°	117.0°
C1	C	H14	109.5°	109.5°
C1	C	H15	109.5°	109.4°
C1	C	H16	109.5°	109.5°
O	C2	C3	124.8°	120.0°
O	C2	C8	114.8°	120.1°
C3	C2	C8	120.4°	119.9°
C2	C3	C4	118.9°	119.9°
C2	C3	H1	120.5°	120.0°
C2	C8	C7	120.7°	120.0°
C2	C8	H5	119.6°	120.0°
C3	C4	C5	119.7°	120.1°
C4	C3	H1	120.5°	120.1°
C3	C4	H17	120.1°	119.9°
C8	C7	C5	119.1°	120.1°
C7	C8	H5	119.6°	120.0°
C8	C7	H18	120.4°	120.0°
C4	C5	C7	121.1°	120.1°
C4	C5	C6	120.7°	119.9°
C5	C4	H17	120.2°	120.0°
C7	C5	C6	118.1°	120.0°
C5	C7	H18	120.5°	119.9°
C5	C6	H2	109.5°	109.5°
C5	C6	H3	109.5°	109.5°
C5	C6	H4	109.5°	109.5°
H2	C6	H3	109.5°	109.5°
H2	C6	H4	109.4°	109.5°
H3	C6	H4	109.5°	109.4°
H6	C9	H7	109.5°	109.5°
H6	C9	H8	109.4°	109.4°
H7	C9	H8	109.5°	109.5°
H9	C11	H10	109.5°	109.5°
H11	C12	H12	109.5°	109.5°
H14	C	H15	109.4°	109.4°
H14	C	H16	109.5°	109.5°
H15	C	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	N	H9	120.8°	120.0°
C12	C11	N	H10	120.8°	120.0°
C11	C12	S	H11	120.6°	119.9°
C11	C12	S	H12	120.5°	120.1°
C12	C11	N	C10	97.5°	180.0°
C12	C11	H9	H10	117.5°	120.0°
C11	C12	H11	H12	118.3°	120.0°
C12	C11	N	H13	82.5°	0.0°
C11	C12	S	H19	180.0°	180.0°
N	C11	C12	S	76.9°	180.0°
C11	N	C10	H13	180.0°	180.0°
C11	N	C10	O1	4.1°	0.0°
C11	N	C10	C1	176.2°	180.0°
N	C11	H9	H10	117.6°	120.0°
N	C11	C12	H11	43.6°	60.0°
N	C11	C12	H12	162.5°	60.0°
S	C12	C11	H9	43.9°	60.0°
S	C12	C11	H10	162.3°	60.0°
S	C12	H11	H12	118.3°	120.1°
N	C10	O1	C1	179.7°	179.9°
N	C10	C1	C9	102.9°	60.0°
N	C10	C1	O	13.0°	180.0°
N	C10	C1	C	137.1°	60.0°
C10	N	C11	H9	141.7°	60.0°
C10	N	C11	H10	23.2°	60.0°
O1	C10	C1	C9	76.8°	120.0°
O1	C10	C1	O	167.3°	0.1°
O1	C10	C1	C	43.2°	120.0°
O1	C10	N	H13	175.9°	179.9°
C10	C1	C9	O	119.0°	120.0°
C10	C1	C9	C	124.2°	120.1°
C10	C1	O	C	127.1°	120.1°
C10	C1	O	C2	72.5°	62.0°
C10	C1	C9	H6	180.0°	69.1°
C10	C1	C9	H7	60.0°	170.9°
C10	C1	C9	H8	60.0°	50.9°
C1	C10	N	H13	3.8°	0.0°
C10	C1	C	H14	180.0°	175.0°
C10	C1	C	H15	60.0°	55.0°
C10	C1	C	H16	60.0°	65.0°
C9	C1	O	C	115.6°	119.9°
C9	C1	O	C2	170.2°	58.0°
C1	C9	H6	H7	120.0°	120.1°
C1	C9	H6	H8	120.0°	120.0°
C1	C9	H7	H8	120.0°	120.0°
C9	C1	C	H14	59.6°	65.0°
C9	C1	C	H15	60.4°	175.1°
C9	C1	C	H16	179.6°	55.1°
C1	O	C2	C3	28.2°	174.2°
C1	O	C2	C8	153.2°	5.6°
O	C1	C9	H6	61.0°	50.9°
O	C1	C9	H7	59.1°	69.1°
O	C1	C9	H8	179.0°	170.9°
O	C1	C	H14	55.0°	54.9°
O	C1	C	H15	175.0°	65.0°
O	C1	C	H16	65.1°	175.0°
C	C1	O	C2	54.6°	177.9°
C	C1	C9	H6	55.7°	170.9°
C	C1	C9	H7	175.8°	50.8°
C	C1	C9	H8	64.2°	69.2°
C1	C	H14	H15	120.0°	119.9°
C1	C	H14	H16	120.0°	120.1°
C1	C	H15	H16	120.0°	120.0°
O	C2	C3	C8	178.5°	179.8°
O	C2	C3	C4	178.5°	179.7°
O	C2	C8	C7	179.8°	179.7°
O	C2	C3	H1	1.5°	0.2°
O	C2	C8	H5	0.2°	0.2°
C2	C3	C4	H1	180.0°	180.0°
C3	C2	C8	C7	1.1°	0.1°
C2	C3	C4	C5	1.0°	0.0°
C3	C2	C8	H5	178.9°	180.0°
C2	C3	C4	H17	179.1°	179.9°
C8	C2	C3	C4	0.0°	0.0°
C2	C8	C7	H5	180.0°	179.9°
C2	C8	C7	C5	1.4°	0.1°
C8	C2	C3	H1	180.0°	180.0°
C2	C8	C7	H18	178.6°	179.9°
C3	C4	C5	H17	180.0°	179.9°
C3	C4	C5	C7	0.7°	0.0°
C3	C4	C5	C6	179.9°	180.0°
C8	C7	C5	C4	0.4°	0.0°
C8	C7	C5	H18	180.0°	180.0°
C8	C7	C5	C6	179.0°	179.9°
C4	C5	C7	C6	179.4°	179.9°
C5	C4	C3	H1	179.0°	180.0°
C4	C5	C6	H2	89.7°	90.1°
C4	C5	C6	H3	150.3°	149.9°
C4	C5	C6	H4	30.3°	30.0°
C4	C5	C7	H18	179.6°	180.0°
C7	C5	C6	H2	89.7°	90.0°
C7	C5	C6	H3	30.3°	30.0°
C7	C5	C6	H4	150.3°	150.0°
C5	C7	C8	H5	178.6°	180.0°
C7	C5	C4	H17	179.3°	180.0°
C5	C6	H2	H3	120.0°	120.0°
C5	C6	H2	H4	120.0°	120.1°
C5	C6	H3	H4	120.0°	120.0°
C6	C5	C4	H17	0.1°	0.1°
C6	C5	C7	H18	1.0°	0.1°
H1	C3	C4	H17	0.9°	0.0°
H2	C6	H3	H4	120.0°	120.0°
H5	C8	C7	H18	1.4°	0.1°
H6	C9	H7	H8	120.0°	120.0°
H9	C11	C12	H11	164.4°	60.0°
H9	C11	C12	H12	76.7°	180.0°
H9	C11	N	H13	38.3°	120.0°
H10	C11	C12	H11	77.2°	180.0°
H10	C11	C12	H12	41.7°	60.0°
H10	C11	N	H13	156.7°	120.0°
H11	C12	S	H19	59.5°	60.1°
H12	C12	S	H19	59.4°	60.0°
H14	C	H15	H16	120.0°	120.0°

Release date:	2021-07-07
Definition date:	2020-12-15
Last modified:	2021-07-02
Release status:	REL
Processing site:	PDBE
Derived from:	7BA9