T8M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	sing	1.51Å	1.52Å
O	C1	doub	1.21Å	1.23Å
C1	N	sing	1.35Å	1.35Å
N	C2	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	1.51Å	1.49Å
C5	C6	doub	1.33Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.42Å	Aromatic
C8	C7	doub	1.33Å	1.35Å	Aromatic
S	C8	sing	1.76Å	1.70Å	Aromatic
C5	S	sing	1.76Å	1.72Å	Aromatic
C9	N1	sing	1.47Å	1.47Å
C10	C9	sing	1.53Å	1.51Å
N	C10	sing	1.47Å	1.46Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
C10	H15	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	120.4°	120.0°
C	C1	N	118.5°	120.0°
C1	C	H	109.5°	109.5°
C1	C	H2	109.4°	109.4°
C1	C	H1	109.5°	109.5°
O	C1	N	121.0°	120.0°
C1	N	C2	126.7°	120.9°
C1	N	C10	122.6°	120.9°
N	C2	C3	108.6°	108.5°
C2	N	C10	110.6°	118.2°
N	C2	H4	109.7°	109.6°
N	C2	H3	109.7°	109.7°
C2	C3	N1	111.5°	109.3°
C3	C2	H4	109.7°	109.6°
C3	C2	H3	109.7°	109.8°
C2	C3	H6	109.0°	109.5°
C2	C3	H5	109.0°	109.5°
C3	N1	C4	109.9°	111.0°
C3	N1	C9	109.7°	111.3°
N1	C3	H6	109.0°	109.5°
N1	C3	H5	109.0°	109.5°
N1	C4	C5	113.6°	109.4°
C4	N1	C9	109.2°	111.0°
N1	C4	H7	108.4°	109.5°
N1	C4	H8	108.4°	109.5°
C4	C5	C6	128.5°	125.2°
C4	C5	S	121.0°	125.2°
C5	C4	H7	108.4°	109.4°
C5	C4	H8	108.4°	109.5°
C5	C6	C7	111.2°	114.9°
C6	C5	S	110.6°	109.6°
C5	C6	H9	124.4°	122.5°
C6	C7	C8	112.5°	114.9°
C7	C6	H9	124.4°	122.6°
C6	C7	H10	123.8°	122.5°
C7	C8	S	111.8°	109.6°
C8	C7	H10	123.7°	122.5°
C7	C8	H11	124.1°	125.2°
C8	S	C5	91.8°	90.9°
S	C8	H11	124.1°	125.2°
N1	C9	C10	111.4°	109.4°
N1	C9	H13	109.0°	109.5°
N1	C9	H12	109.0°	109.5°
C9	C10	N	108.9°	108.5°
C9	C10	H15	109.6°	109.7°
C9	C10	H14	109.6°	109.7°
C10	C9	H13	109.0°	109.5°
C10	C9	H12	109.0°	109.5°
N	C10	H15	109.6°	109.6°
N	C10	H14	109.6°	109.8°
H7	C4	H8	109.5°	109.5°
H15	C10	H14	109.4°	109.6°
H	C	H2	109.5°	109.5°
H	C	H1	109.4°	109.5°
H2	C	H1	109.5°	109.5°
H4	C2	H3	109.5°	109.6°
H6	C3	H5	109.5°	109.5°
H13	C9	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	N	176.0°	180.0°
C	C1	N	C2	9.7°	180.0°
C	C1	N	C10	166.1°	0.0°
C1	C	H	H2	120.0°	119.9°
C1	C	H	H1	120.0°	120.0°
C1	C	H2	H1	120.0°	120.0°
O	C1	N	C2	174.2°	0.0°
O	C1	N	C10	10.0°	180.0°
O	C1	C	H	0.0°	0.0°
O	C1	C	H2	120.0°	120.0°
O	C1	C	H1	120.0°	120.0°
C1	N	C2	C10	176.2°	180.0°
C1	N	C2	C3	115.5°	128.8°
C1	N	C10	C9	115.7°	128.9°
C1	N	C10	H15	4.2°	111.5°
C1	N	C10	H14	124.3°	9.0°
N	C1	C	H	176.1°	180.0°
N	C1	C	H2	63.8°	60.0°
N	C1	C	H1	56.2°	60.0°
C1	N	C2	H4	4.4°	9.2°
C1	N	C2	H3	124.6°	111.2°
N	C2	C3	H4	119.9°	119.7°
N	C2	C3	H3	119.9°	119.9°
N	C2	C3	N1	58.4°	53.8°
C2	N	C10	C9	60.6°	51.2°
C2	N	C10	H15	179.4°	68.5°
C2	N	C10	H14	59.3°	171.0°
N	C2	H4	H3	120.4°	120.4°
N	C2	C3	H6	61.9°	173.8°
N	C2	C3	H5	178.7°	66.1°
C2	C3	N1	H6	120.3°	120.0°
C2	C3	N1	H5	120.3°	120.0°
C2	C3	N1	C4	176.2°	172.7°
C2	C3	N1	C9	56.2°	63.1°
C3	C2	N	C10	60.7°	51.2°
C3	C2	H4	H3	120.4°	120.6°
C2	C3	H6	H5	119.1°	120.1°
C3	N1	C4	C9	120.4°	124.3°
C3	N1	C4	C5	49.9°	170.0°
C3	N1	C9	C10	55.9°	63.1°
C3	N1	C4	H7	170.5°	70.0°
C3	N1	C4	H8	70.7°	50.0°
N1	C3	C2	H4	178.3°	173.5°
N1	C3	C2	H3	61.5°	66.0°
N1	C3	H6	H5	119.1°	120.1°
C3	N1	C9	H13	64.4°	56.9°
C3	N1	C9	H12	176.1°	176.9°
N1	C4	C5	H7	120.6°	120.0°
N1	C4	C5	H8	120.6°	120.0°
N1	C4	C5	C6	103.1°	90.0°
N1	C4	C5	S	77.2°	90.3°
C4	N1	C9	C10	176.4°	172.7°
N1	C4	H7	H8	118.1°	120.0°
C4	N1	C3	H6	55.9°	52.8°
C4	N1	C3	H5	63.5°	67.3°
C4	N1	C9	H13	56.1°	67.3°
C4	N1	C9	H12	63.4°	52.8°
C4	C5	C6	S	179.7°	179.7°
C4	C5	C6	C7	179.1°	180.0°
C4	C5	S	C8	173.4°	180.0°
C5	C4	N1	C9	170.3°	65.7°
C5	C4	H7	H8	118.1°	120.0°
C4	C5	C6	H9	0.9°	0.1°
C5	C6	C7	H9	180.0°	179.9°
C5	C6	C7	C8	10.5°	0.0°
C6	C5	S	C8	6.9°	0.3°
C6	C5	C4	H7	136.3°	29.9°
C6	C5	C4	H8	17.6°	149.9°
C5	C6	C7	H10	169.5°	179.9°
C6	C7	C8	H10	180.0°	180.0°
C6	C7	C8	S	15.8°	0.2°
C7	C6	C5	S	0.6°	0.3°
C6	C7	C8	H11	164.2°	179.9°
C7	C8	S	H11	180.0°	179.9°
C7	C8	S	C5	13.1°	0.3°
C8	C7	C6	H9	169.5°	179.9°
S	C8	C7	H10	164.2°	179.8°
S	C5	C4	H7	43.4°	149.7°
S	C5	C4	H8	162.1°	29.7°
S	C5	C6	H9	179.4°	179.8°
C5	S	C8	H11	166.9°	179.8°
N1	C9	C10	H13	120.3°	120.0°
N1	C9	C10	H12	120.3°	120.0°
N1	C9	C10	N	58.1°	53.8°
C9	N1	C4	H7	69.1°	54.3°
C9	N1	C4	H8	49.7°	174.3°
N1	C9	C10	H15	178.1°	65.8°
N1	C9	C10	H14	61.8°	173.7°
C9	N1	C3	H6	64.2°	176.9°
C9	N1	C3	H5	176.4°	56.9°
N1	C9	H13	H12	119.1°	120.1°
C9	C10	N	H15	119.9°	119.7°
C9	C10	N	H14	119.9°	119.8°
C9	C10	H15	H14	120.3°	120.5°
C10	C9	H13	H12	119.1°	120.0°
N	C10	H15	H14	120.3°	120.6°
C10	N	C2	H4	179.4°	170.9°
C10	N	C2	H3	59.2°	68.8°
N	C10	C9	H13	62.2°	66.2°
N	C10	C9	H12	178.4°	173.8°
H9	C6	C7	H10	10.5°	0.0°
H10	C7	C8	H11	15.8°	0.1°
H15	C10	C9	H13	57.8°	174.2°
H15	C10	C9	H12	61.7°	54.2°
H14	C10	C9	H13	177.9°	53.7°
H14	C10	C9	H12	58.5°	66.3°
H	C	H2	H1	120.0°	120.1°
H4	C2	C3	H6	58.0°	66.5°
H4	C2	C3	H5	61.4°	53.6°
H3	C2	C3	H6	178.2°	53.9°
H3	C2	C3	H5	58.8°	174.0°

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