U7M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	sing	1.53Å	1.53Å
C7	N2	sing	1.46Å	1.45Å
C8	C9	sing	1.53Å	1.52Å
C10	C9	sing	1.53Å	1.45Å
O	C	doub	1.22Å	1.22Å
N2	C	sing	1.35Å	1.34Å
C	N	sing	1.35Å	1.34Å
N	C1	sing	1.40Å	1.43Å
C2	C1	doub	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.37Å	Aromatic
C3	C4	doub	1.38Å	1.37Å	Aromatic
C6	C5	doub	1.38Å	1.36Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	S	sing	1.76Å	1.76Å
N1	S	sing	1.66Å	1.60Å
S	O2	doub	1.42Å	1.44Å
S	O1	doub	1.42Å	1.44Å
N	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
N1	H3	sing	0.97Å	1.00Å
C3	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
N2	H8	sing	0.97Å	1.00Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	N2	108.1°	109.5°
C7	C8	C9	116.1°	109.5°
C8	C7	H9	109.8°	109.5°
C8	C7	H10	109.8°	109.5°
C7	C8	H11	107.8°	109.4°
C7	C8	H12	107.8°	109.5°
C7	N2	C	117.2°	120.0°
C7	N2	H8	121.4°	120.0°
N2	C7	H9	109.8°	109.5°
N2	C7	H10	109.8°	109.4°
C8	C9	C10	107.5°	109.5°
C9	C8	H11	107.8°	109.5°
C9	C8	H12	107.8°	109.5°
C8	C9	H13	110.0°	109.5°
C8	C9	H14	110.0°	109.5°
C10	C9	H13	110.0°	109.4°
C10	C9	H14	110.0°	109.4°
C9	C10	H15	109.5°	109.5°
C9	C10	H16	109.5°	109.5°
C9	C10	H17	109.4°	109.5°
O	C	N2	124.2°	120.0°
O	C	N	122.6°	120.0°
N2	C	N	112.8°	120.0°
C	N2	H8	121.4°	120.0°
C	N	C1	125.2°	120.0°
C	N	H1	117.4°	120.0°
N	C1	C2	128.7°	120.1°
N	C1	C6	110.4°	120.0°
C1	N	H1	117.4°	120.0°
C1	C2	C3	120.3°	119.9°
C2	C1	C6	120.0°	119.8°
C1	C2	H5	119.8°	120.0°
C2	C3	C4	118.1°	120.1°
C2	C3	H4	120.9°	119.9°
C3	C2	H5	119.8°	120.1°
C1	C6	C5	120.0°	119.9°
C1	C6	H7	120.0°	120.0°
C3	C4	C5	121.6°	120.2°
C3	C4	S	121.4°	119.9°
C4	C3	H4	120.9°	120.0°
C6	C5	C4	119.7°	120.1°
C6	C5	H6	120.1°	119.9°
C5	C6	H7	120.0°	120.0°
C5	C4	S	115.7°	119.9°
C4	C5	H6	120.1°	120.0°
C4	S	N1	106.4°	107.2°
C4	S	O2	107.0°	106.4°
C4	S	O1	102.1°	106.4°
N1	S	O2	110.4°	106.4°
N1	S	O1	111.3°	106.4°
S	N1	H2	109.5°	120.0°
S	N1	H3	109.4°	120.0°
O2	S	O1	118.5°	123.1°
H2	N1	H3	109.5°	120.0°
H9	C7	H10	109.5°	109.4°
H11	C8	H12	109.5°	109.5°
H13	C9	H14	109.4°	109.5°
H15	C10	H16	109.5°	109.5°
H15	C10	H17	109.5°	109.5°
H16	C10	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	N2	H9	119.8°	120.0°
C8	C7	N2	H10	119.8°	120.0°
C7	C8	C9	H11	121.0°	119.9°
C7	C8	C9	H12	121.0°	120.0°
C7	C8	C9	C10	63.3°	180.0°
C8	C7	N2	C	77.7°	180.0°
C8	C7	N2	H8	102.3°	0.1°
C8	C7	H9	H10	120.6°	120.0°
C7	C8	H11	H12	117.0°	119.9°
C7	C8	C9	H13	177.0°	60.0°
C7	C8	C9	H14	56.4°	60.0°
N2	C7	C8	C9	70.2°	180.0°
C7	N2	C	O	11.4°	0.3°
C7	N2	C	H8	180.0°	179.9°
C7	N2	C	N	175.7°	180.0°
N2	C7	H9	H10	120.6°	120.0°
N2	C7	C8	H11	168.9°	60.0°
N2	C7	C8	H12	50.8°	60.0°
C8	C9	C10	H13	119.7°	120.0°
C8	C9	C10	H14	119.7°	120.0°
C9	C8	C7	H9	170.1°	60.0°
C9	C8	C7	H10	49.6°	60.0°
C9	C8	H11	H12	117.0°	120.1°
C8	C9	H13	H14	120.9°	120.1°
C8	C9	C10	H15	180.0°	60.0°
C8	C9	C10	H16	60.0°	180.0°
C8	C9	C10	H17	60.0°	60.0°
C10	C9	C8	H11	57.6°	60.1°
C10	C9	C8	H12	175.7°	60.0°
C10	C9	H13	H14	120.9°	119.9°
C9	C10	H15	H16	120.0°	120.1°
C9	C10	H15	H17	120.0°	120.0°
C9	C10	H16	H17	120.0°	120.0°
O	C	N2	N	172.9°	179.7°
O	C	N	C1	171.7°	4.7°
O	C	N	H1	8.3°	175.4°
O	C	N2	H8	168.5°	179.6°
N2	C	N	C1	1.4°	175.7°
N2	C	N	H1	178.6°	4.3°
C	N2	C7	H9	42.1°	60.0°
C	N2	C7	H10	162.5°	60.0°
C	N	C1	H1	180.0°	180.0°
C	N	C1	C2	59.6°	35.1°
C	N	C1	C6	131.2°	145.2°
N	C	N2	H8	4.4°	0.0°
N	C1	C2	C6	168.4°	179.7°
N	C1	C2	C3	164.3°	180.0°
N	C1	C6	C5	165.3°	179.8°
N	C1	C2	H5	15.7°	0.0°
N	C1	C6	H7	14.7°	0.3°
C1	C2	C3	H5	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C2	C1	C6	C5	5.0°	0.5°
C2	C1	N	H1	120.4°	144.9°
C1	C2	C3	H4	179.7°	180.0°
C2	C1	C6	H7	174.9°	180.0°
C3	C2	C1	C6	4.1°	0.3°
C2	C3	C4	H4	180.0°	180.0°
C2	C3	C4	C5	2.4°	0.0°
C2	C3	C4	S	163.6°	179.7°
C1	C6	C5	H7	180.0°	179.5°
C1	C6	C5	C4	2.3°	0.5°
C6	C1	N	H1	48.8°	34.8°
C6	C1	C2	H5	176.0°	179.7°
C1	C6	C5	H6	177.7°	179.4°
C3	C4	C5	C6	1.5°	0.3°
C3	C4	C5	S	166.8°	179.7°
C3	C4	S	N1	31.6°	89.7°
C3	C4	S	O2	86.4°	156.7°
C3	C4	S	O1	148.5°	23.8°
C4	C3	C2	H5	179.7°	180.0°
C3	C4	C5	H6	178.5°	179.7°
C6	C5	C4	H6	180.0°	180.0°
C6	C5	C4	S	165.3°	180.0°
C5	C4	S	N1	135.2°	90.0°
C5	C4	S	O2	106.7°	23.5°
C5	C4	S	O1	18.4°	156.4°
C5	C4	C3	H4	177.6°	180.0°
C4	C5	C6	H7	177.7°	180.0°
C4	S	N1	O2	115.8°	113.5°
C4	S	N1	O1	110.5°	113.6°
C4	S	O2	O1	114.6°	123.0°
C4	S	N1	H2	180.0°	120.0°
C4	S	N1	H3	60.0°	60.0°
S	C4	C3	H4	16.3°	0.3°
S	C4	C5	H6	14.7°	0.0°
N1	S	O2	O1	130.0°	122.9°
S	N1	H2	H3	120.0°	180.0°
O2	S	N1	H2	64.2°	6.5°
O2	S	N1	H3	175.7°	173.5°
O1	S	N1	H2	69.5°	126.4°
O1	S	N1	H3	50.6°	53.6°
H4	C3	C2	H5	0.3°	0.0°
H6	C5	C6	H7	2.3°	0.1°
H8	N2	C7	H9	137.9°	120.0°
H8	N2	C7	H10	17.4°	120.1°
H9	C7	C8	H11	49.1°	180.0°
H9	C7	C8	H12	69.0°	60.1°
H10	C7	C8	H11	71.4°	60.0°
H10	C7	C8	H12	170.5°	180.0°
H11	C8	C9	H13	62.1°	180.0°
H11	C8	C9	H14	177.3°	59.9°
H12	C8	C9	H13	56.0°	60.0°
H12	C8	C9	H14	64.6°	180.0°
H13	C9	C10	H15	60.3°	60.1°
H13	C9	C10	H16	179.7°	60.0°
H13	C9	C10	H17	59.7°	179.9°
H14	C9	C10	H15	60.3°	180.0°
H14	C9	C10	H16	59.7°	59.9°
H14	C9	C10	H17	179.7°	60.0°
H15	C10	H16	H17	120.0°	120.0°

Release date:	2024-02-21
Definition date:	2023-01-27
Last modified:	2024-02-16
Release status:	REL
Processing site:	PDBE
Derived from:	8CDZ