M0X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	N3	doub	1.29Å	1.30Å	Aromatic
N4	C15	sing	1.35Å	1.38Å	Aromatic
C20	C15	doub	1.40Å	1.39Å	Aromatic
C20	C19	sing	1.36Å	1.39Å	Aromatic
N3	N2	sing	1.40Å	1.36Å	Aromatic
C15	C16	sing	1.41Å	1.39Å	Aromatic
C19	C18	doub	1.39Å	1.39Å	Aromatic
N2	C16	sing	1.37Å	1.36Å	Aromatic
N2	C14	sing	1.46Å	1.45Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.51Å	1.53Å
O	C13	doub	1.21Å	1.22Å
C13	N1	sing	1.35Å	1.37Å
N1	C5	sing	1.40Å	1.43Å
N1	C8	sing	1.46Å	1.46Å
C11	C12	doub	1.33Å	1.38Å	Aromatic
C11	S	sing	1.76Å	1.72Å	Aromatic
C6	C5	doub	1.39Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C12	C9	sing	1.38Å	1.43Å	Aromatic
S	C10	sing	1.76Å	1.71Å	Aromatic
C9	C8	sing	1.51Å	1.51Å
C9	C10	doub	1.33Å	1.36Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C7	C2	doub	1.39Å	1.40Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C	N	sing	1.47Å	1.45Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	N	sing	1.40Å	1.37Å
N	C1	sing	1.46Å	1.46Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C20	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C14	H18	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C18	H20	sing	1.08Å	1.08Å
C19	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	N4	C15	108.2°	110.3°
N4	N3	N2	109.0°	109.4°
N4	C15	C20	131.4°	133.1°
N4	C15	C16	108.7°	107.7°
C15	C20	C19	118.4°	120.0°
C20	C15	C16	119.9°	119.2°
C15	C20	H8	120.8°	120.0°
C20	C19	C18	121.0°	120.8°
C19	C20	H8	120.8°	120.0°
C20	C19	H21	119.5°	119.6°
N3	N2	C16	110.1°	106.5°
N3	N2	C14	120.3°	126.8°
C15	C16	N2	104.1°	106.1°
C15	C16	C17	122.2°	119.9°
C19	C18	C17	121.0°	120.4°
C19	C18	H20	119.5°	119.8°
C18	C19	H21	119.5°	119.6°
C16	N2	C14	129.5°	126.7°
N2	C16	C17	133.7°	134.0°
N2	C14	C13	111.3°	109.5°
N2	C14	H18	109.0°	109.5°
N2	C14	H19	109.0°	109.5°
C16	C17	C18	117.5°	119.7°
C16	C17	H7	121.3°	120.1°
C18	C17	H7	121.3°	120.2°
C17	C18	H20	119.5°	119.8°
C14	C13	O	120.2°	119.9°
C14	C13	N1	117.5°	120.0°
C13	C14	H18	109.0°	109.4°
C13	C14	H19	109.0°	109.4°
O	C13	N1	122.2°	120.0°
C13	N1	C5	124.3°	120.0°
C13	N1	C8	116.9°	120.0°
C5	N1	C8	118.4°	120.0°
N1	C5	C6	119.5°	120.0°
N1	C5	C4	120.9°	120.0°
N1	C8	C9	112.2°	109.5°
N1	C8	H4	108.8°	109.5°
N1	C8	H5	108.8°	109.4°
C12	C11	S	110.7°	109.6°
C11	C12	C9	113.0°	114.9°
C11	C12	H9	123.5°	122.5°
C12	C11	H10	124.7°	125.2°
C11	S	C10	92.2°	91.0°
S	C11	H10	124.7°	125.2°
C5	C6	C7	120.5°	120.0°
C6	C5	C4	118.6°	120.0°
C5	C6	H2	119.7°	120.0°
C6	C7	C2	120.9°	120.0°
C7	C6	H2	119.7°	120.1°
C6	C7	H3	119.5°	120.0°
C12	C9	C8	126.3°	122.5°
C12	C9	C10	111.7°	115.0°
C9	C12	H9	123.5°	122.6°
S	C10	C9	112.4°	109.6°
S	C10	H6	123.8°	125.2°
C8	C9	C10	122.0°	122.5°
C9	C8	H4	108.8°	109.5°
C9	C8	H5	108.8°	109.5°
C9	C10	H6	123.8°	125.2°
C5	C4	C3	120.5°	120.0°
C5	C4	H1	119.7°	120.0°
C7	C2	C3	118.0°	120.0°
C7	C2	N	120.9°	120.0°
C2	C7	H3	119.6°	120.0°
C4	C3	C2	120.7°	120.0°
C3	C4	H1	119.7°	120.0°
C4	C3	H11	119.6°	120.0°
C	N	C2	120.2°	120.0°
C	N	C1	112.7°	120.0°
N	C	H15	109.5°	109.4°
N	C	H16	109.5°	109.5°
N	C	H17	109.5°	109.5°
C3	C2	N	121.0°	120.0°
C2	C3	H11	119.6°	120.1°
C2	N	C1	120.8°	120.0°
N	C1	H12	109.5°	109.5°
N	C1	H13	109.5°	109.5°
N	C1	H14	109.5°	109.5°
H4	C8	H5	109.5°	109.5°
H12	C1	H13	109.4°	109.4°
H12	C1	H14	109.5°	109.5°
H13	C1	H14	109.4°	109.5°
H15	C	H16	109.5°	109.5°
H15	C	H17	109.4°	109.5°
H16	C	H17	109.5°	109.5°
H18	C14	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	N4	C15	C20	179.5°	179.9°
N3	N4	C15	C16	0.1°	0.0°
N4	N3	N2	C16	0.8°	0.1°
N4	N3	N2	C14	175.4°	179.9°
N4	C15	C20	C16	179.3°	180.0°
N4	C15	C20	C19	180.0°	180.0°
C15	N4	N3	N2	0.5°	0.1°
N4	C15	C16	N2	0.4°	0.0°
N4	C15	C16	C17	179.8°	180.0°
N4	C15	C20	H8	0.0°	0.1°
C15	C20	C19	H8	180.0°	179.9°
C15	C20	C19	C18	0.4°	0.0°
C20	C15	C16	N2	179.1°	180.0°
C20	C15	C16	C17	0.3°	0.0°
C15	C20	C19	H21	179.6°	180.0°
C19	C20	C15	C16	0.7°	0.0°
C20	C19	C18	H21	180.0°	180.0°
C20	C19	C18	C17	0.3°	0.0°
C20	C19	C18	H20	179.7°	180.0°
N3	N2	C16	C15	0.7°	0.0°
N3	N2	C16	C14	175.7°	180.0°
N3	N2	C16	C17	180.0°	180.0°
N3	N2	C14	C13	100.6°	90.0°
N3	N2	C14	H18	139.2°	30.0°
N3	N2	C14	H19	19.7°	150.0°
C15	C16	N2	C17	179.3°	180.0°
C15	C16	N2	C14	175.0°	180.0°
C15	C16	C17	C18	0.3°	0.0°
C15	C16	C17	H7	179.7°	180.0°
C16	C15	C20	H8	179.3°	179.9°
C19	C18	C17	C16	0.6°	0.0°
C19	C18	C17	H20	180.0°	180.0°
C19	C18	C17	H7	179.4°	180.0°
C18	C19	C20	H8	179.6°	179.9°
N2	C16	C17	C18	179.6°	180.0°
C16	N2	C14	C13	74.7°	90.0°
N2	C16	C17	H7	0.5°	0.0°
C16	N2	C14	H18	45.5°	150.0°
C16	N2	C14	H19	165.0°	30.0°
C14	N2	C16	C17	4.3°	0.0°
N2	C14	C13	H18	120.3°	120.0°
N2	C14	C13	H19	120.3°	120.0°
N2	C14	C13	O	23.6°	4.9°
N2	C14	C13	N1	152.3°	175.1°
N2	C14	H18	H19	119.2°	120.1°
C16	C17	C18	H7	180.0°	180.0°
C16	C17	C18	H20	179.3°	180.0°
C17	C18	C19	H21	179.7°	180.0°
C14	C13	O	N1	175.7°	179.9°
C14	C13	N1	C5	11.0°	175.2°
C14	C13	N1	C8	161.2°	4.5°
C13	C14	H18	H19	119.2°	119.9°
O	C13	N1	C5	173.2°	4.9°
O	C13	N1	C8	14.6°	175.4°
O	C13	C14	H18	143.9°	124.9°
O	C13	C14	H19	96.6°	115.2°
C13	N1	C5	C8	172.1°	179.7°
C13	N1	C5	C6	46.3°	172.3°
C13	N1	C8	C9	88.7°	95.2°
C13	N1	C5	C4	145.5°	7.7°
C13	N1	C8	H4	31.7°	144.7°
C13	N1	C8	H5	150.9°	24.7°
N1	C13	C14	H18	32.0°	55.1°
N1	C13	C14	H19	87.5°	64.9°
N1	C5	C6	C4	168.4°	180.0°
N1	C5	C6	C7	177.0°	180.0°
C5	N1	C8	C9	98.6°	85.1°
N1	C5	C4	C3	178.2°	180.0°
N1	C5	C4	H1	1.8°	0.3°
N1	C5	C6	H2	3.0°	0.0°
C5	N1	C8	H4	141.0°	35.0°
C5	N1	C8	H5	21.8°	155.0°
C8	N1	C5	C6	141.6°	7.4°
N1	C8	C9	C12	125.8°	95.0°
N1	C8	C9	H4	120.4°	120.0°
N1	C8	C9	H5	120.4°	120.0°
N1	C8	C9	C10	51.0°	85.0°
C8	N1	C5	C4	26.6°	172.6°
N1	C8	H4	H5	118.7°	120.0°
C12	C11	S	H10	180.0°	179.8°
C11	C12	C9	H9	180.0°	179.9°
C12	C11	S	C10	0.2°	0.3°
C11	C12	C9	C8	176.8°	180.0°
C11	C12	C9	C10	0.4°	0.0°
S	C11	C12	C9	0.4°	0.2°
C11	S	C10	C9	0.0°	0.3°
C11	S	C10	H6	180.0°	180.0°
S	C11	C12	H9	179.6°	179.8°
C5	C6	C7	H2	180.0°	180.0°
C5	C6	C7	C2	3.5°	0.0°
C6	C5	C4	C3	9.9°	0.0°
C6	C5	C4	H1	170.1°	179.7°
C5	C6	C7	H3	176.4°	180.0°
C7	C6	C5	C4	8.6°	0.1°
C6	C7	C2	H3	180.0°	180.0°
C6	C7	C2	C3	0.3°	0.0°
C6	C7	C2	N	178.5°	180.0°
C12	C9	C10	S	0.2°	0.2°
C12	C9	C8	C10	176.9°	180.0°
C12	C9	C8	H4	5.4°	144.9°
C12	C9	C8	H5	113.8°	24.9°
C12	C9	C10	H6	179.8°	180.0°
C9	C12	C11	H10	179.7°	180.0°
S	C10	C9	C8	177.1°	179.8°
S	C10	C9	H6	180.0°	179.7°
C10	S	C11	H10	179.8°	179.9°
C9	C8	H4	H5	118.7°	120.0°
C8	C9	C10	H6	2.9°	0.1°
C8	C9	C12	H9	3.2°	0.1°
C10	C9	C8	H4	171.4°	35.0°
C10	C9	C8	H5	69.4°	155.0°
C10	C9	C12	H9	179.6°	179.9°
C5	C4	C3	H1	180.0°	179.8°
C5	C4	C3	C2	6.2°	0.0°
C4	C5	C6	H2	171.4°	179.9°
C5	C4	C3	H11	173.8°	179.8°
C7	C2	C3	C4	1.0°	0.0°
C7	C2	N	C	0.4°	180.0°
C7	C2	C3	N	178.2°	180.0°
C7	C2	N	C1	150.5°	0.0°
C2	C7	C6	H2	176.5°	180.0°
C7	C2	C3	H11	179.0°	179.7°
C4	C3	C2	H11	180.0°	179.8°
C4	C3	C2	N	177.2°	180.0°
C	N	C2	C3	178.5°	0.0°
C	N	C2	C1	150.2°	179.9°
C	N	C1	H12	180.0°	89.9°
C	N	C1	H13	60.0°	30.0°
C	N	C1	H14	60.0°	150.0°
N	C	H15	H16	120.0°	120.0°
N	C	H15	H17	120.0°	120.0°
N	C	H16	H17	120.0°	120.0°
C3	C2	N	C1	31.3°	180.0°
C2	C3	C4	H1	173.8°	179.8°
C3	C2	C7	H3	179.7°	180.0°
N	C2	C7	H3	1.5°	0.0°
N	C2	C3	H11	2.8°	0.3°
C2	N	C1	H12	27.8°	90.0°
C2	N	C1	H13	92.2°	150.1°
C2	N	C1	H14	147.8°	30.0°
C2	N	C	H15	180.0°	90.0°
C2	N	C	H16	60.0°	150.0°
C2	N	C	H17	60.0°	30.0°
N	C1	H12	H13	120.0°	120.0°
N	C1	H12	H14	120.0°	120.0°
N	C1	H13	H14	120.0°	120.0°
C1	N	C	H15	27.6°	90.0°
C1	N	C	H16	92.4°	30.0°
C1	N	C	H17	147.6°	150.0°
H1	C4	C3	H11	6.3°	0.0°
H2	C6	C7	H3	3.6°	0.0°
H7	C17	C18	H20	0.6°	0.0°
H8	C20	C19	H21	0.4°	0.1°
H9	C12	C11	H10	0.3°	0.1°
H12	C1	H13	H14	120.0°	120.0°
H15	C	H16	H17	120.0°	120.0°
H20	C18	C19	H21	0.3°	0.0°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GD5