NXM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.50Å
C8	C10	sing	1.53Å	1.52Å
C8	C7	sing	1.51Å	1.47Å
N2	C7	doub	1.30Å	1.36Å	Aromatic
N2	O	sing	1.21Å	1.34Å	Aromatic
C7	N1	sing	1.35Å	1.44Å	Aromatic
C3	C2	sing	1.53Å	1.54Å
C3	N	sing	1.47Å	1.48Å
O	C6	sing	1.34Å	1.38Å	Aromatic
C2	C1	sing	1.53Å	1.54Å
N1	C6	doub	1.31Å	1.35Å	Aromatic
N	C4	sing	1.47Å	1.49Å
C6	C	sing	1.51Å	1.49Å
C1	C	sing	1.53Å	1.55Å
C1	C5	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.55Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
N	H8	sing	1.01Å	1.00Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C9	C10	60.3°	60.0°
C9	C8	C10	59.4°	60.0°
C9	C8	C7	118.1°	117.5°
C9	C8	H5	115.9°	117.6°
C8	C9	H17	120.0°	117.5°
C8	C9	H18	119.9°	117.5°
C9	C10	C8	60.3°	60.0°
C9	C10	H6	120.0°	117.5°
C9	C10	H7	120.0°	117.5°
C10	C9	H17	120.0°	117.5°
C10	C9	H18	120.0°	117.5°
C10	C8	C7	118.2°	117.5°
C10	C8	H5	115.9°	117.5°
C8	C10	H6	119.9°	117.5°
C8	C10	H7	120.0°	117.5°
C8	C7	N2	125.2°	126.3°
C8	C7	N1	124.4°	126.3°
C7	C8	H5	116.9°	115.5°
C7	N2	O	106.7°	110.2°
N2	C7	N1	110.4°	107.4°
N2	O	C6	109.1°	109.9°
C7	N1	C6	103.0°	105.6°
C2	C3	N	112.9°	109.6°
C3	C2	C1	108.1°	109.3°
C3	C2	H13	109.8°	109.5°
C3	C2	H14	109.8°	109.6°
C2	C3	H15	108.6°	109.5°
C2	C3	H16	108.6°	109.4°
C3	N	C4	114.0°	111.1°
C3	N	H8	108.3°	111.0°
N	C3	H15	108.6°	109.5°
N	C3	H16	108.6°	109.4°
O	C6	N1	110.8°	106.9°
O	C6	C	117.9°	126.6°
C2	C1	C	110.8°	109.5°
C2	C1	C5	108.9°	109.1°
C2	C1	H12	109.0°	109.6°
C1	C2	H13	109.8°	109.5°
C1	C2	H14	109.8°	109.5°
N1	C6	C	131.2°	126.5°
N	C4	C5	114.6°	109.6°
N	C4	H1	108.2°	109.4°
N	C4	H2	108.2°	109.4°
C4	N	H8	108.3°	111.0°
C6	C	C1	112.6°	109.5°
C6	C	H10	108.7°	109.4°
C6	C	H11	108.7°	109.5°
C	C1	C5	110.6°	109.5°
C1	C	H10	108.7°	109.5°
C1	C	H11	108.7°	109.5°
C	C1	H12	108.7°	109.6°
C1	C5	C4	111.5°	109.3°
C1	C5	H3	109.0°	109.5°
C1	C5	H4	109.0°	109.5°
C5	C1	H12	108.9°	109.5°
C5	C4	H1	108.2°	109.5°
C5	C4	H2	108.2°	109.5°
C4	C5	H3	109.0°	109.5°
C4	C5	H4	108.9°	109.5°
H1	C4	H2	109.5°	109.5°
H3	C5	H4	109.5°	109.5°
H6	C10	H7	109.4°	115.5°
H10	C	H11	109.5°	109.5°
H13	C2	H14	109.5°	109.4°
H15	C3	H16	109.5°	109.5°
H17	C9	H18	109.4°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	C10	H17	109.6°	107.5°
C8	C9	C10	H18	109.5°	107.5°
C9	C8	C10	C7	107.7°	107.5°
C9	C8	C10	H5	106.1°	107.6°
C9	C8	C7	H5	145.7°	145.7°
C9	C8	C7	N2	152.3°	8.7°
C9	C8	C7	N1	27.4°	171.4°
C8	C9	C10	H6	109.6°	107.5°
C8	C9	C10	H7	109.6°	107.5°
C8	C9	H17	H18	144.6°	145.7°
C9	C10	H6	H7	144.6°	145.7°
C10	C9	H17	H18	144.6°	145.7°
C10	C8	C7	H5	145.9°	145.6°
C10	C8	C7	N2	139.3°	59.9°
C10	C8	C7	N1	41.0°	120.0°
C8	C10	H6	H7	144.5°	145.7°
C8	C7	N2	N1	179.7°	179.9°
C8	C7	N2	O	179.7°	180.0°
C8	C7	N1	C6	179.7°	180.0°
C7	C8	C10	H6	1.8°	145.0°
C7	C8	C10	H7	142.7°	0.0°
C7	C8	C9	H17	1.7°	0.0°
C7	C8	C9	H18	142.6°	145.0°
C7	N2	O	C6	0.1°	0.0°
N2	C7	N1	C6	0.0°	0.0°
N2	C7	C8	H5	6.6°	154.4°
O	N2	C7	N1	0.0°	0.0°
N2	O	C6	N1	0.1°	0.0°
N2	O	C6	C	179.3°	180.0°
C7	N1	C6	O	0.0°	0.0°
C7	N1	C6	C	179.3°	180.0°
N1	C7	C8	H5	173.1°	25.6°
C2	C3	N	H15	120.5°	120.1°
C2	C3	N	H16	120.5°	120.0°
C3	C2	C1	H13	119.8°	120.0°
C3	C2	C1	H14	119.8°	120.0°
C2	C3	N	C4	13.0°	61.7°
C3	C2	C1	C	169.5°	177.5°
C3	C2	C1	C5	68.7°	57.6°
C2	C3	N	H8	133.6°	62.3°
C3	C2	C1	H12	49.9°	62.3°
C3	C2	H13	H14	120.6°	120.1°
C2	C3	H15	H16	118.4°	119.9°
N	C3	C2	C1	46.6°	59.2°
C3	N	C4	H8	120.7°	124.0°
C3	N	C4	C5	53.7°	61.7°
C3	N	C4	H1	67.1°	58.3°
C3	N	C4	H2	174.4°	178.3°
N	C3	C2	H13	166.4°	60.7°
N	C3	C2	H14	73.2°	179.2°
N	C3	H15	H16	118.4°	120.0°
O	C6	N1	C	179.3°	180.0°
O	C6	C	C1	69.1°	90.0°
O	C6	C	H10	170.5°	30.0°
O	C6	C	H11	51.4°	150.0°
C2	C1	C	C6	51.9°	65.4°
C2	C1	C	C5	120.8°	119.7°
C2	C1	C	H12	119.7°	120.2°
C2	C1	C5	H12	118.7°	120.0°
C2	C1	C5	C4	29.3°	57.6°
C2	C1	C5	H3	149.6°	62.3°
C2	C1	C5	H4	91.0°	177.6°
C2	C1	C	H10	172.3°	174.7°
C2	C1	C	H11	68.6°	54.7°
C1	C2	H13	H14	120.6°	120.0°
C1	C2	C3	H15	167.1°	60.9°
C1	C2	C3	H16	73.9°	179.2°
N1	C6	C	C1	111.7°	90.0°
N1	C6	C	H10	8.8°	150.0°
N1	C6	C	H11	127.9°	30.1°
N	C4	C5	C1	30.0°	59.2°
N	C4	C5	H1	120.8°	120.0°
N	C4	C5	H2	120.8°	120.0°
N	C4	H1	H2	117.7°	119.9°
N	C4	C5	H3	90.3°	60.7°
N	C4	C5	H4	150.3°	179.1°
C4	N	C3	H15	107.5°	58.3°
C4	N	C3	H16	133.5°	178.3°
C6	C	C1	H10	120.5°	119.9°
C6	C	C1	H11	120.5°	120.0°
C6	C	C1	C5	172.7°	175.0°
C6	C	H10	H11	118.6°	120.0°
C6	C	C1	H12	67.8°	54.9°
C	C1	C5	H12	119.4°	120.2°
C	C1	C5	C4	151.2°	177.5°
C	C1	C5	H3	88.5°	57.6°
C	C1	C5	H4	30.9°	62.5°
C1	C	H10	H11	118.6°	120.0°
C	C1	C2	H13	49.7°	57.6°
C	C1	C2	H14	70.8°	62.4°
C1	C5	C4	H3	120.3°	119.9°
C1	C5	C4	H4	120.3°	119.9°
C1	C5	C4	H1	90.8°	60.8°
C1	C5	C4	H2	150.8°	179.2°
C1	C5	H3	H4	119.1°	120.1°
C5	C1	C	H10	66.8°	55.0°
C5	C1	C	H11	52.2°	65.0°
C5	C1	C2	H13	171.5°	62.3°
C5	C1	C2	H14	51.1°	177.7°
C5	C4	H1	H2	117.6°	120.0°
C4	C5	H3	H4	119.0°	120.1°
C5	C4	N	H8	174.3°	62.3°
C4	C5	C1	H12	89.4°	62.3°
H1	C4	C5	H3	148.9°	179.2°
H1	C4	C5	H4	29.6°	59.1°
H1	C4	N	H8	53.6°	177.6°
H2	C4	C5	H3	30.5°	59.3°
H2	C4	C5	H4	88.9°	60.9°
H2	C4	N	H8	64.9°	57.7°
H3	C5	C1	H12	30.9°	177.7°
H4	C5	C1	H12	150.3°	57.6°
H5	C8	C10	H6	144.4°	0.1°
H5	C8	C10	H7	3.5°	145.0°
H5	C8	C9	H17	144.4°	145.0°
H5	C8	C9	H18	3.5°	0.0°
H6	C10	C9	H17	0.0°	145.0°
H6	C10	C9	H18	140.9°	0.0°
H7	C10	C9	H17	140.9°	0.0°
H7	C10	C9	H18	0.0°	145.0°
H8	N	C3	H15	13.1°	177.6°
H8	N	C3	H16	105.8°	57.7°
H10	C	C1	H12	52.7°	65.1°
H11	C	C1	H12	171.7°	174.9°
H12	C1	C2	H13	69.8°	177.8°
H12	C1	C2	H14	169.7°	57.8°
H13	C2	C3	H15	73.1°	179.2°
H13	C2	C3	H16	45.9°	59.3°
H14	C2	C3	H15	47.3°	59.1°
H14	C2	C3	H16	166.3°	60.8°

Release date:	2019-07-10
Definition date:	2019-05-29
Last modified:	2019-07-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QRP