ZWO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C19	doub	1.38Å	1.38Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C19	C20	sing	1.38Å	1.41Å	Aromatic
C17	C16	doub	1.38Å	1.37Å	Aromatic
C20	C15	doub	1.39Å	1.39Å	Aromatic
C16	C15	sing	1.39Å	1.39Å	Aromatic
C15	N2	sing	1.42Å	1.41Å
C12	C13	doub	1.38Å	1.36Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C13	C8	sing	1.39Å	1.44Å	Aromatic
C7	N2	sing	1.43Å	1.33Å
C7	N1	sing	1.46Å	1.31Å
C11	C10	doub	1.38Å	1.38Å	Aromatic
N2	RU2	sing	1.93Å	2.04Å
C8	N1	sing	1.39Å	1.46Å
C8	C9	doub	1.39Å	1.35Å	Aromatic
C10	C9	sing	1.38Å	1.37Å	Aromatic
N1	RU1	sing	1.91Å	2.05Å
O6	RU2	sing	1.82Å	2.04Å
O6	C5	sing	1.35Å	1.28Å
RU2	O2	sing	1.82Å	2.03Å
RU2	RU1	sing	2.45Å	2.26Å
RU2	O4	sing	1.84Å	2.06Å
O7	C5	doub	1.25Å	1.25Å
C5	O5	sing	1.30Å	1.32Å
O2	C1	sing	1.35Å	1.27Å
C1	O8	doub	1.25Å	1.45Å
C1	O1	sing	1.30Å	1.31Å
O5	RU1	sing	1.83Å	2.05Å
RU1	O1	sing	1.84Å	2.04Å
RU1	O3	sing	1.81Å	2.06Å
O4	C3	sing	1.31Å	1.29Å
O3	C3	sing	1.35Å	1.32Å
C3	O9	doub	1.24Å	1.24Å
C7	H1	sing	1.10Å	1.10Å
C7	H2	sing	1.11Å	1.10Å
C20	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C18	C17	118.4°	120.1°
C18	C19	C20	119.7°	120.1°
C19	C18	H11	120.8°	120.0°
C18	C19	H12	120.2°	120.0°
C18	C17	C16	122.5°	120.1°
C18	C17	H8	118.7°	120.0°
C17	C18	H11	120.8°	119.9°
C19	C20	C15	121.5°	119.9°
C19	C20	H3	119.2°	120.0°
C20	C19	H12	120.1°	119.9°
C17	C16	C15	120.3°	119.9°
C17	C16	H7	119.8°	120.1°
C16	C17	H8	118.7°	119.9°
C20	C15	C16	117.4°	119.8°
C20	C15	N2	121.3°	120.0°
C15	C20	H3	119.2°	120.1°
C16	C15	N2	121.2°	120.1°
C15	C16	H7	119.8°	120.0°
C15	N2	C7	114.9°	118.9°
C15	N2	RU2	124.3°	122.1°
C13	C12	C11	119.4°	120.1°
C12	C13	C8	120.6°	119.9°
C12	C13	H6	119.7°	120.0°
C13	C12	H10	120.3°	119.9°
C12	C11	C10	120.0°	120.2°
C12	C11	H9	120.0°	119.9°
C11	C12	H10	120.3°	120.0°
C13	C8	N1	122.2°	120.1°
C13	C8	C9	117.9°	119.8°
C8	C13	H6	119.7°	120.1°
N2	C7	N1	119.5°	124.4°
C7	N2	RU2	120.7°	119.0°
N2	C7	H1	106.9°	105.9°
N2	C7	H2	106.9°	105.8°
C7	N1	C8	115.4°	127.5°
C7	N1	RU1	118.8°	105.1°
N1	C7	H1	106.9°	107.1°
N1	C7	H2	106.9°	106.8°
C11	C10	C9	120.0°	120.1°
C11	C10	H5	120.0°	120.0°
C10	C11	H9	120.0°	119.9°
N2	RU2	O6	90.9°	90.6°
N2	RU2	O2	92.4°	95.4°
N2	RU2	RU1	89.4°	84.6°
N2	RU2	O4	179.1°	162.8°
N1	C8	C9	119.9°	120.1°
C8	N1	RU1	124.6°	127.3°
C8	C9	C10	122.1°	119.9°
C8	C9	H4	119.0°	120.0°
C10	C9	H4	119.0°	120.1°
C9	C10	H5	120.0°	120.0°
N1	RU1	RU2	91.2°	95.2°
N1	RU1	O5	92.9°	92.1°
N1	RU1	O1	88.8°	85.2°
N1	RU1	O3	174.9°	167.7°
RU2	O6	C5	124.5°	105.9°
O6	RU2	O2	176.6°	169.6°
O6	RU2	RU1	88.6°	94.0°
O6	RU2	O4	88.2°	88.8°
O6	C5	O7	118.2°	116.4°
O6	C5	O5	115.5°	127.7°
O2	RU2	RU1	92.2°	95.0°
O2	RU2	O4	88.5°	88.0°
RU2	O2	C1	113.7°	104.9°
RU1	RU2	O4	90.6°	78.3°
RU2	RU1	O5	89.6°	80.5°
RU2	RU1	O1	89.8°	81.2°
RU2	RU1	O3	89.4°	96.4°
RU2	O4	C3	118.7°	118.1°
O7	C5	O5	126.3°	115.9°
C5	O5	RU1	121.8°	122.8°
O2	C1	O8	109.7°	117.2°
O2	C1	O1	129.4°	125.7°
O8	C1	O1	120.8°	117.1°
C1	O1	RU1	114.8°	122.3°
O5	RU1	O1	178.1°	161.2°
O5	RU1	O3	92.1°	93.9°
O1	RU1	O3	86.1°	92.5°
RU1	O3	C3	118.7°	106.4°
O4	C3	O3	120.8°	123.1°
O4	C3	O9	119.0°	118.0°
O3	C3	O9	120.2°	118.9°
H1	C7	H2	109.5°	105.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C18	C17	H11	180.0°	179.6°
C18	C19	C20	H12	180.0°	179.6°
C19	C18	C17	C16	1.3°	0.3°
C18	C19	C20	C15	0.4°	0.4°
C18	C19	C20	H3	179.5°	179.8°
C19	C18	C17	H8	178.7°	179.8°
C17	C18	C19	C20	2.6°	0.5°
C18	C17	C16	H8	180.0°	179.9°
C18	C17	C16	C15	2.3°	0.0°
C18	C17	C16	H7	177.7°	179.9°
C17	C18	C19	H12	177.4°	179.9°
C19	C20	C15	H3	180.0°	179.8°
C19	C20	C15	C16	3.0°	0.1°
C19	C20	C15	N2	178.0°	179.8°
C20	C19	C18	H11	177.4°	180.0°
C17	C16	C15	C20	4.3°	0.1°
C17	C16	C15	H7	180.0°	179.9°
C17	C16	C15	N2	179.3°	180.0°
C16	C17	C18	H11	178.7°	179.8°
C20	C15	C16	N2	175.0°	179.9°
C20	C15	N2	C7	60.3°	0.1°
C20	C15	N2	RU2	118.9°	180.0°
C20	C15	C16	H7	175.7°	180.0°
C15	C20	C19	H12	179.6°	180.0°
C16	C15	N2	C7	125.0°	180.0°
C16	C15	N2	RU2	55.9°	0.1°
C16	C15	C20	H3	177.0°	179.9°
C15	C16	C17	H8	177.7°	179.9°
C15	N2	C7	RU2	179.2°	179.9°
C15	N2	C7	N1	173.5°	167.7°
C15	N2	RU2	O6	93.5°	74.9°
C15	N2	RU2	O2	85.8°	96.6°
C15	N2	RU2	RU1	177.9°	168.9°
C15	N2	RU2	O4	93.3°	162.5°
C15	N2	C7	H1	52.1°	67.9°
C15	N2	C7	H2	65.1°	43.8°
N2	C15	C20	H3	2.0°	0.0°
N2	C15	C16	H7	0.7°	0.1°
C13	C12	C11	H10	180.0°	179.7°
C12	C13	C8	H6	180.0°	180.0°
C13	C12	C11	C10	0.1°	0.3°
C12	C13	C8	N1	179.3°	180.0°
C12	C13	C8	C9	1.4°	0.0°
C13	C12	C11	H9	179.9°	179.8°
C11	C12	C13	C8	0.2°	0.2°
C12	C11	C10	H9	180.0°	180.0°
C12	C11	C10	C9	2.0°	0.0°
C12	C11	C10	H5	178.0°	180.0°
C11	C12	C13	H6	179.8°	179.7°
C13	C8	N1	C7	48.9°	179.7°
C13	C8	N1	C9	179.3°	179.9°
C13	C8	C9	C10	3.3°	0.3°
C13	C8	N1	RU1	118.1°	0.1°
C13	C8	C9	H4	176.6°	180.0°
C8	C13	C12	H10	179.8°	180.0°
N2	C7	N1	H1	121.4°	123.8°
N2	C7	N1	H2	121.4°	123.4°
N2	C7	N1	C8	175.8°	146.7°
N2	C7	N1	RU1	8.0°	33.6°
C7	N2	RU2	O6	85.7°	105.2°
C7	N2	RU2	O2	95.1°	83.3°
C7	N2	RU2	RU1	2.9°	11.2°
C7	N2	RU2	O4	85.8°	17.5°
N2	C7	H1	H2	115.5°	111.9°
N1	C7	N2	RU2	7.3°	12.2°
C7	N1	C8	RU1	167.0°	179.6°
C7	N1	C8	C9	130.5°	0.4°
C7	N1	RU1	RU2	4.8°	32.2°
C7	N1	RU1	O5	84.9°	48.5°
C7	N1	RU1	O1	94.5°	112.8°
C7	N1	RU1	O3	101.1°	167.4°
N1	C7	H1	H2	115.4°	113.6°
C11	C10	C9	C8	3.7°	0.3°
C11	C10	C9	H5	180.0°	180.0°
C11	C10	C9	H4	176.2°	180.0°
C10	C11	C12	H10	179.9°	180.0°
N2	RU2	RU1	N1	0.8°	23.0°
N2	RU2	O6	O2	167.3°	125.2°
N2	RU2	O6	RU1	89.3°	84.6°
N2	RU2	O6	O4	180.0°	162.8°
N2	RU2	O6	C5	91.6°	57.1°
N2	RU2	O2	RU1	89.5°	85.0°
N2	RU2	O2	O4	180.0°	163.1°
N2	RU2	RU1	O4	179.1°	178.1°
N2	RU2	O2	C1	86.7°	111.1°
N2	RU2	RU1	O5	92.2°	68.3°
N2	RU2	RU1	O1	89.6°	107.3°
N2	RU2	RU1	O3	175.7°	161.2°
N2	RU2	O4	C3	88.5°	30.1°
RU2	N2	C7	H1	128.7°	112.1°
RU2	N2	C7	H2	114.1°	136.1°
N1	C8	C9	C10	177.3°	179.7°
C8	N1	RU1	RU2	171.4°	148.1°
C8	N1	RU1	O5	81.7°	131.2°
C8	N1	RU1	O1	98.9°	67.5°
C8	N1	RU1	O3	92.3°	12.2°
C8	N1	C7	H1	62.7°	89.5°
C8	N1	C7	H2	54.4°	23.3°
N1	C8	C9	H4	2.7°	0.1°
N1	C8	C13	H6	0.7°	0.0°
C8	C9	C10	H4	180.0°	179.7°
C9	C8	N1	RU1	62.5°	180.0°
C8	C9	C10	H5	176.3°	179.7°
C9	C8	C13	H6	178.6°	180.0°
C9	C10	C11	H9	178.0°	180.0°
N1	RU1	RU2	O6	91.7°	113.1°
N1	RU1	RU2	O2	91.6°	72.0°
N1	RU1	RU2	O5	92.9°	91.2°
N1	RU1	RU2	O1	88.8°	84.3°
N1	RU1	RU2	O3	175.0°	175.9°
N1	RU1	RU2	O4	179.8°	158.9°
N1	RU1	O5	C5	90.2°	110.2°
N1	RU1	O1	C1	94.6°	100.3°
N1	RU1	O5	O1	161.4°	81.1°
N1	RU1	O5	O3	179.5°	169.2°
N1	RU1	O1	O3	179.4°	167.9°
N1	RU1	O3	C3	108.9°	160.9°
RU1	N1	C7	H1	129.4°	90.2°
RU1	N1	C7	H2	113.4°	157.1°
O6	RU2	O2	RU1	103.3°	150.2°
O6	RU2	O2	O4	12.7°	72.1°
O6	RU2	RU1	O4	88.1°	87.9°
RU2	O6	C5	O7	175.4°	154.3°
RU2	O6	C5	O5	2.0°	25.8°
O6	RU2	O2	C1	106.0°	124.1°
O6	RU2	RU1	O5	1.2°	21.9°
O6	RU2	RU1	O1	179.5°	162.6°
O6	RU2	RU1	O3	93.4°	71.0°
O6	RU2	O4	C3	88.3°	57.8°
C5	O6	RU2	O2	101.1°	177.7°
C5	O6	RU2	RU1	2.2°	27.5°
C5	O6	RU2	O4	88.4°	105.7°
O6	C5	O7	O5	177.0°	179.9°
O6	C5	O5	RU1	0.4°	2.9°
O2	RU2	RU1	O4	88.5°	86.9°
RU2	O2	C1	O8	175.8°	140.5°
RU2	O2	C1	O1	0.7°	39.6°
O2	RU2	RU1	O5	175.4°	163.2°
O2	RU2	RU1	O1	2.8°	12.3°
O2	RU2	RU1	O3	83.3°	103.9°
O2	RU2	O4	C3	92.4°	132.0°
RU2	RU1	O5	C5	0.9°	15.3°
RU1	RU2	O2	C1	2.8°	26.1°
RU2	RU1	O1	C1	3.4°	4.3°
RU2	RU1	O5	O1	70.3°	13.8°
RU2	RU1	O5	O3	89.4°	95.9°
RU2	RU1	O1	O3	89.4°	96.1°
RU1	RU2	O4	C3	0.3°	36.6°
RU2	RU1	O3	C3	12.5°	0.6°
O4	RU2	O2	C1	93.3°	52.0°
O4	RU2	RU1	O5	86.9°	109.8°
O4	RU2	RU1	O1	91.3°	74.7°
O4	RU2	RU1	O3	5.2°	16.9°
RU2	O4	C3	O3	10.0°	54.3°
RU2	O4	C3	O9	170.2°	125.8°
O7	C5	O5	RU1	176.7°	177.2°
C5	O5	RU1	O1	71.2°	29.2°
C5	O5	RU1	O3	90.3°	80.5°
O2	C1	O8	O1	176.9°	179.9°
O2	C1	O1	RU1	2.3°	30.3°
O8	C1	O1	RU1	178.5°	149.7°
C1	O1	RU1	O5	66.9°	18.1°
C1	O1	RU1	O3	86.0°	91.9°
O5	RU1	O1	O3	19.2°	109.9°
O5	RU1	O3	C3	77.1°	80.3°
O1	RU1	O3	C3	102.3°	82.0°
RU1	O3	C3	O4	16.0°	30.0°
RU1	O3	C3	O9	164.2°	150.2°
O4	C3	O3	O9	179.8°	179.8°
H3	C20	C19	H12	0.4°	0.2°
H4	C9	C10	H5	3.7°	0.0°
H5	C10	C11	H9	2.0°	0.0°
H6	C13	C12	H10	0.2°	0.0°
H7	C16	C17	H8	2.2°	0.0°
H8	C17	C18	H11	1.3°	0.2°
H9	C11	C12	H10	0.1°	0.0°
H11	C18	C19	H12	2.6°	0.3°

Release date:	2023-09-13
Definition date:	2023-07-07
Last modified:	2023-09-08
Release status:	REL
Processing site:	PDBE
Derived from:	8PH6