T6M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	sing	1.51Å	1.50Å
C1	O	doub	1.21Å	1.22Å
N	C1	sing	1.35Å	1.35Å
C2	N	sing	1.47Å	1.46Å
C3	C2	sing	1.53Å	1.51Å
N1	C3	sing	1.47Å	1.47Å
N1	C4	sing	1.47Å	1.47Å
C4	C5	sing	1.53Å	1.50Å
C5	N	sing	1.47Å	1.46Å
S	N1	sing	1.66Å	1.64Å
S	O1	doub	1.42Å	1.43Å
S	O2	doub	1.42Å	1.43Å
C6	S	sing	1.76Å	1.76Å
C7	C6	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
CL1	C9	sing	1.74Å	1.74Å
C9	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C11	C6	sing	1.38Å	1.38Å	Aromatic
C4	H7	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C	H	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	120.5°	120.0°
C	C1	N	116.9°	120.0°
C1	C	H	109.5°	109.4°
C1	C	H14	109.5°	109.5°
C1	C	H1	109.5°	109.5°
O	C1	N	122.6°	120.0°
C1	N	C2	123.7°	120.6°
C1	N	C5	123.1°	120.6°
N	C2	C3	110.4°	108.6°
C2	N	C5	113.2°	118.8°
N	C2	H3	109.2°	109.6°
N	C2	H2	109.2°	109.6°
C2	C3	N1	108.2°	108.7°
C3	C2	H3	109.3°	109.6°
C3	C2	H2	109.2°	109.8°
C2	C3	H5	109.8°	109.6°
C2	C3	H4	109.8°	109.6°
C3	N1	C4	111.1°	118.8°
C3	N1	S	117.3°	120.6°
N1	C3	H5	109.8°	109.6°
N1	C3	H4	109.8°	109.6°
N1	C4	C5	107.6°	108.6°
C4	N1	S	116.9°	120.6°
N1	C4	H7	110.0°	109.6°
N1	C4	H6	109.9°	109.6°
C4	C5	N	110.1°	108.6°
C5	C4	H7	110.0°	109.6°
C5	C4	H6	109.9°	109.6°
C4	C5	H9	109.3°	109.6°
C4	C5	H8	109.3°	109.5°
N	C5	H9	109.3°	109.7°
N	C5	H8	109.3°	109.6°
N1	S	O1	106.2°	106.4°
N1	S	O2	106.3°	106.4°
N1	S	C6	106.3°	107.2°
O1	S	O2	120.3°	123.1°
O1	S	C6	108.9°	106.4°
O2	S	C6	108.0°	106.4°
S	C6	C7	119.7°	120.0°
S	C6	C11	119.4°	120.0°
C6	C7	C8	119.6°	120.0°
C7	C6	C11	120.9°	120.0°
C6	C7	H10	120.2°	120.0°
C7	C8	C9	119.1°	120.0°
C8	C7	H10	120.2°	120.0°
C7	C8	H11	120.4°	120.0°
C8	C9	CL1	119.3°	120.0°
C8	C9	C10	121.6°	120.0°
C9	C8	H11	120.4°	120.0°
CL1	C9	C10	119.1°	120.0°
C9	C10	C11	119.1°	119.9°
C9	C10	H12	120.4°	120.0°
C10	C11	C6	119.6°	120.0°
C11	C10	H12	120.4°	120.0°
C10	C11	H13	120.2°	119.9°
C6	C11	H13	120.2°	120.0°
H7	C4	H6	109.5°	109.8°
H9	C5	H8	109.5°	109.8°
H	C	H14	109.4°	109.5°
H	C	H1	109.5°	109.4°
H14	C	H1	109.5°	109.4°
H3	C2	H2	109.4°	109.6°
H5	C3	H4	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	N	179.5°	179.9°
C	C1	N	C2	168.2°	0.0°
C	C1	N	C5	12.2°	180.0°
C1	C	H	H14	120.0°	120.0°
C1	C	H	H1	120.0°	120.0°
C1	C	H14	H1	120.0°	120.0°
O	C1	N	C2	12.3°	179.9°
O	C1	N	C5	167.4°	0.1°
O	C1	C	H	0.0°	120.1°
O	C1	C	H14	120.0°	0.1°
O	C1	C	H1	120.0°	119.9°
C1	N	C2	C5	179.7°	180.0°
C1	N	C2	C3	125.4°	124.8°
C1	N	C5	C4	124.1°	124.8°
C1	N	C5	H9	4.0°	115.5°
C1	N	C5	H8	115.8°	5.1°
N	C1	C	H	179.5°	60.0°
N	C1	C	H14	59.5°	179.9°
N	C1	C	H1	60.5°	60.0°
C1	N	C2	H3	5.2°	115.5°
C1	N	C2	H2	114.4°	4.8°
N	C2	C3	H3	120.1°	119.7°
N	C2	C3	H2	120.2°	119.9°
N	C2	C3	N1	55.8°	49.4°
C2	N	C5	C4	55.6°	55.3°
C2	N	C5	H9	175.7°	64.5°
C2	N	C5	H8	64.5°	174.9°
N	C2	H3	H2	119.5°	120.3°
N	C2	C3	H5	64.0°	70.4°
N	C2	C3	H4	175.6°	169.2°
C2	C3	N1	H5	119.8°	119.8°
C2	C3	N1	H4	119.8°	119.8°
C2	C3	N1	C4	62.2°	55.2°
C3	C2	N	C5	54.3°	55.2°
C2	C3	N1	S	159.6°	125.0°
C3	C2	H3	H2	119.6°	120.6°
C2	C3	H5	H4	120.6°	120.4°
C3	N1	C4	S	138.3°	179.8°
C3	N1	C4	C5	63.4°	55.2°
C3	N1	S	O1	176.8°	156.4°
C3	N1	S	O2	54.0°	23.5°
C3	N1	S	C6	60.9°	90.0°
C3	N1	C4	H7	56.4°	175.0°
C3	N1	C4	H6	177.0°	64.5°
N1	C3	C2	H3	176.0°	70.3°
N1	C3	C2	H2	64.4°	169.3°
N1	C3	H5	H4	120.6°	120.4°
N1	C4	C5	H7	119.7°	119.8°
N1	C4	C5	H6	119.7°	119.7°
N1	C4	C5	N	58.2°	49.5°
C4	N1	S	O1	41.1°	23.8°
C4	N1	S	O2	170.3°	156.7°
C4	N1	S	C6	74.8°	89.7°
N1	C4	H7	H6	120.9°	120.4°
N1	C4	C5	H9	178.4°	70.4°
N1	C4	C5	H8	61.9°	169.1°
C4	N1	C3	H5	57.6°	64.6°
C4	N1	C3	H4	177.9°	175.0°
C4	C5	N	H9	120.1°	119.8°
C4	C5	N	H8	120.1°	119.6°
C5	C4	N1	S	158.3°	125.0°
C5	C4	H7	H6	120.9°	120.5°
C4	C5	H9	H8	119.7°	120.3°
N	C5	C4	H7	61.5°	169.2°
N	C5	C4	H6	177.9°	70.2°
N	C5	H9	H8	119.7°	120.5°
C5	N	C2	H3	174.5°	64.5°
C5	N	C2	H2	65.9°	175.2°
N1	S	O1	O2	120.6°	123.0°
N1	S	O1	C6	114.2°	114.1°
N1	S	O2	C6	113.8°	114.1°
N1	S	C6	C7	87.7°	90.0°
N1	S	C6	C11	90.5°	90.2°
S	N1	C4	H7	82.0°	5.3°
S	N1	C4	H6	38.6°	115.2°
S	N1	C3	H5	80.6°	115.2°
S	N1	C3	H4	39.8°	5.3°
O1	S	O2	C6	125.7°	122.9°
O1	S	C6	C7	26.4°	23.6°
O1	S	C6	C11	155.4°	156.2°
O2	S	C6	C7	158.6°	156.5°
O2	S	C6	C11	23.3°	23.3°
S	C6	C7	C11	178.1°	179.8°
S	C6	C7	C8	179.1°	180.0°
S	C6	C11	C10	179.2°	180.0°
S	C6	C7	H10	0.8°	0.1°
S	C6	C11	H13	0.8°	0.0°
C6	C7	C8	H10	180.0°	179.9°
C6	C7	C8	C9	0.5°	0.0°
C7	C6	C11	C10	1.1°	0.2°
C6	C7	C8	H11	179.5°	180.0°
C7	C6	C11	H13	178.9°	179.7°
C7	C8	C9	H11	180.0°	179.9°
C7	C8	C9	CL1	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.3°
C8	C7	C6	C11	1.0°	0.2°
C8	C9	CL1	C10	179.9°	179.8°
C8	C9	C10	C11	0.2°	0.3°
C9	C8	C7	H10	179.5°	179.9°
C8	C9	C10	H12	179.8°	179.8°
CL1	C9	C10	C11	179.9°	179.9°
CL1	C9	C8	H11	0.0°	0.0°
CL1	C9	C10	H12	0.0°	0.0°
C9	C10	C11	H12	180.0°	179.9°
C9	C10	C11	C6	0.7°	0.1°
C10	C9	C8	H11	179.9°	179.8°
C9	C10	C11	H13	179.3°	180.0°
C10	C11	C6	H13	180.0°	179.9°
C11	C6	C7	H10	179.0°	179.7°
C6	C11	C10	H12	179.3°	180.0°
H7	C4	C5	H9	58.6°	49.4°
H7	C4	C5	H8	178.4°	71.1°
H6	C4	C5	H9	62.0°	169.9°
H6	C4	C5	H8	57.8°	49.4°
H10	C7	C8	H11	0.5°	0.1°
H12	C10	C11	H13	0.7°	0.1°
H	C	H14	H1	120.0°	120.0°
H3	C2	C3	H5	56.2°	169.9°
H3	C2	C3	H4	64.2°	49.5°
H2	C2	C3	H5	175.9°	49.5°
H2	C2	C3	H4	55.5°	71.0°

Release date:	2020-03-25
Definition date:	2020-03-16
Last modified:	2020-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	5RFF