ZM8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C4	sing	1.47Å	1.56Å
N1	C7	sing	1.47Å	1.49Å
C5	C4	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.57Å
C8	C7	sing	1.53Å	1.53Å
C8	C9	sing	1.53Å	1.51Å
C4	C3	sing	1.53Å	1.55Å
C7	C9	sing	1.53Å	1.52Å
O	C1	doub	1.21Å	1.23Å
C6	N	sing	1.47Å	1.50Å
C1	N	sing	1.35Å	1.44Å
C1	C	sing	1.51Å	1.50Å
N	C2	sing	1.47Å	1.47Å
C3	C2	sing	1.53Å	1.56Å
N1	H1	sing	1.01Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N1	C7	116.5°	111.0°
N1	C4	C5	108.8°	109.5°
N1	C4	C3	104.4°	109.4°
C4	N1	H1	107.7°	111.0°
N1	C4	H3	111.1°	109.5°
N1	C7	C8	115.6°	117.5°
N1	C7	C9	117.1°	117.5°
C7	N1	H1	107.7°	111.0°
N1	C7	H8	117.7°	115.5°
C4	C5	C6	109.7°	109.3°
C5	C4	C3	109.6°	109.5°
C5	C4	H3	111.5°	109.5°
C4	C5	H4	109.4°	109.6°
C4	C5	H5	109.4°	109.5°
C5	C6	N	115.0°	108.8°
C6	C5	H4	109.4°	109.4°
C6	C5	H5	109.4°	109.4°
C5	C6	H6	108.1°	109.6°
C5	C6	H7	108.1°	109.6°
C7	C8	C9	60.2°	60.0°
C8	C7	C9	59.2°	60.0°
C8	C7	H8	117.0°	117.5°
C7	C8	H9	120.0°	117.5°
C7	C8	H10	120.0°	117.5°
C8	C9	C7	60.6°	60.0°
C9	C8	H9	120.0°	117.5°
C9	C8	H10	120.0°	117.5°
C8	C9	H18	119.9°	117.5°
C8	C9	H19	119.9°	117.5°
C4	C3	C2	110.7°	109.3°
C3	C4	H3	111.2°	109.5°
C4	C3	H16	109.2°	109.5°
C4	C3	H17	109.1°	109.5°
C9	C7	H8	117.2°	117.5°
C7	C9	H18	119.9°	117.4°
C7	C9	H19	119.9°	117.5°
O	C1	N	120.0°	120.0°
O	C1	C	123.4°	120.0°
C6	N	C1	121.9°	120.7°
C6	N	C2	117.4°	118.7°
N	C6	H6	108.1°	109.6°
N	C6	H7	108.1°	109.6°
N	C1	C	116.6°	120.0°
C1	N	C2	120.5°	120.6°
C1	C	H11	109.5°	109.4°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.4°	109.5°
N	C2	C3	111.6°	108.8°
N	C2	H14	109.0°	109.5°
N	C2	H15	108.9°	109.6°
C3	C2	H14	108.9°	109.6°
C3	C2	H15	109.0°	109.7°
C2	C3	H16	109.1°	109.5°
C2	C3	H17	109.1°	109.5°
H4	C5	H5	109.5°	109.5°
H6	C6	H7	109.5°	109.7°
H9	C8	H10	109.4°	115.6°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.4°
H12	C	H13	109.5°	109.5°
H14	C2	H15	109.4°	109.6°
H16	C3	H17	109.5°	109.6°
H18	C9	H19	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N1	C7	H1	121.0°	124.0°
N1	C4	C5	C3	113.6°	120.0°
N1	C4	C5	H3	122.9°	120.0°
N1	C4	C5	C6	161.6°	178.6°
C4	N1	C7	C8	173.6°	136.4°
N1	C4	C3	H3	119.9°	120.0°
C4	N1	C7	C9	106.7°	155.0°
N1	C4	C3	C2	176.5°	178.6°
N1	C4	C5	H4	41.6°	61.4°
N1	C4	C5	H5	78.4°	58.7°
C4	N1	C7	H8	41.3°	9.3°
N1	C4	C3	H16	56.3°	58.7°
N1	C4	C3	H17	63.3°	61.5°
C7	N1	C4	C5	31.1°	85.0°
N1	C7	C8	C9	107.6°	107.5°
N1	C7	C8	H8	145.4°	145.0°
C7	N1	C4	C3	85.9°	155.0°
N1	C7	C9	H8	148.1°	145.0°
C7	N1	C4	H3	154.2°	35.0°
N1	C7	C8	H9	1.9°	0.0°
N1	C7	C8	H10	142.9°	145.0°
N1	C7	C9	H18	4.5°	145.0°
N1	C7	C9	H19	145.3°	0.1°
C4	C5	C6	H4	120.0°	120.1°
C4	C5	C6	H5	120.1°	119.9°
C5	C4	C3	H3	123.7°	120.0°
C4	C5	C6	N	7.2°	54.7°
C5	C4	C3	C2	67.0°	61.4°
C5	C4	N1	H1	152.1°	39.0°
C4	C5	H4	H5	119.9°	120.1°
C4	C5	C6	H6	113.6°	174.5°
C4	C5	C6	H7	128.0°	65.1°
C5	C4	C3	H16	172.8°	178.7°
C5	C4	C3	H17	53.1°	58.5°
C6	C5	C4	C3	47.9°	61.4°
C5	C6	N	H6	120.8°	119.8°
C5	C6	N	H7	120.8°	119.8°
C5	C6	N	C1	134.2°	126.4°
C5	C6	N	C2	50.8°	53.6°
C6	C5	C4	H3	75.6°	58.6°
C6	C5	H4	H5	119.9°	120.0°
C5	C6	H6	H7	117.5°	120.4°
C7	C8	C9	H9	109.5°	107.5°
C7	C8	C9	H10	109.5°	107.4°
C8	C7	C9	H8	106.8°	107.5°
C8	C7	N1	H1	52.5°	99.7°
C7	C8	H9	H10	144.7°	145.7°
C7	C8	C9	H18	109.7°	107.4°
C7	C8	C9	H19	109.7°	107.5°
C9	C8	H9	H10	144.6°	145.7°
C8	C9	H18	H19	144.3°	145.8°
C4	C3	C2	N	25.1°	54.7°
C4	C3	C2	H16	120.2°	119.9°
C4	C3	C2	H17	120.2°	119.9°
C3	C4	N1	H1	35.1°	81.0°
C3	C4	C5	H4	72.1°	58.5°
C3	C4	C5	H5	168.0°	178.7°
C4	C3	C2	H14	145.4°	174.4°
C4	C3	C2	H15	95.3°	65.2°
C4	C3	H16	H17	119.4°	120.1°
C9	C7	N1	H1	14.3°	31.0°
C7	C9	H18	H19	144.4°	145.6°
O	C1	N	C6	4.2°	175.3°
O	C1	N	C	177.9°	180.0°
O	C1	N	C2	179.2°	4.8°
O	C1	C	H11	0.0°	95.4°
O	C1	C	H12	120.0°	144.6°
O	C1	C	H13	120.0°	24.6°
C6	N	C1	C2	174.9°	180.0°
C6	N	C1	C	177.9°	4.7°
C6	N	C2	C3	32.0°	53.6°
N	C6	C5	H4	127.2°	65.4°
N	C6	C5	H5	112.9°	174.6°
N	C6	H6	H7	117.5°	120.3°
C6	N	C2	H14	88.3°	173.4°
C6	N	C2	H15	152.3°	66.4°
C1	N	C2	C3	152.9°	126.4°
C1	N	C6	H6	105.0°	6.6°
C1	N	C6	H7	13.4°	113.8°
N	C1	C	H11	177.8°	84.6°
N	C1	C	H12	57.8°	35.4°
N	C1	C	H13	62.2°	155.4°
C1	N	C2	H14	86.8°	6.6°
C1	N	C2	H15	32.5°	113.6°
C	C1	N	C2	3.0°	175.2°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
N	C2	C3	H14	120.3°	119.8°
N	C2	C3	H15	120.3°	119.9°
C2	N	C6	H6	70.0°	173.4°
C2	N	C6	H7	171.6°	66.2°
N	C2	H14	H15	119.0°	120.2°
N	C2	C3	H16	145.3°	174.6°
N	C2	C3	H17	95.1°	65.2°
C2	C3	C4	H3	56.7°	58.7°
C3	C2	H14	H15	119.0°	120.4°
C2	C3	H16	H17	119.4°	120.1°
H1	N1	C4	H3	84.8°	159.0°
H1	N1	C7	H8	162.3°	114.7°
H3	C4	C5	H4	164.4°	178.6°
H3	C4	C5	H5	44.5°	61.3°
H3	C4	C3	H16	63.5°	61.3°
H3	C4	C3	H17	176.8°	178.6°
H4	C5	C6	H6	6.4°	54.4°
H4	C5	C6	H7	112.0°	174.9°
H5	C5	C6	H6	126.3°	65.6°
H5	C5	C6	H7	7.9°	54.8°
H8	C7	C8	H9	143.5°	145.0°
H8	C7	C8	H10	2.5°	0.0°
H8	C7	C9	H18	143.6°	0.0°
H8	C7	C9	H19	2.9°	145.0°
H9	C8	C9	H18	0.1°	145.1°
H9	C8	C9	H19	140.8°	0.0°
H10	C8	C9	H18	140.8°	0.0°
H10	C8	C9	H19	0.1°	145.1°
H11	C	H12	H13	120.0°	120.0°
H14	C2	C3	H16	94.4°	65.6°
H14	C2	C3	H17	25.2°	54.5°
H15	C2	C3	H16	24.9°	54.7°
H15	C2	C3	H17	144.5°	174.9°

Release date:	2024-01-31
Definition date:	2023-06-28
Last modified:	2024-01-26
Release status:	REL
Processing site:	PDBE
Derived from:	8PL5