W9O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.47Å	1.51Å
N	C1	sing	1.47Å	1.53Å
C10	N3	sing	1.49Å	1.47Å
C10	N2	sing	1.49Å	1.45Å
C1	C2	sing	1.53Å	1.55Å
N3	N1	sing	1.47Å	1.43Å
N2	C9	sing	1.48Å	1.44Å
N1	C9	sing	1.48Å	1.49Å
N1	C8	sing	1.47Å	1.43Å
C2	C7	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.52Å
C7	C8	sing	1.53Å	1.50Å
C7	C6	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.54Å
C6	C5	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.53Å
C7	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
N2	H4	sing	1.01Å	1.00Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
N3	H14	sing	1.01Å	1.00Å
C4	H15	sing	1.09Å	1.10Å
C4	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C3	H18	sing	1.09Å	1.10Å
C2	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å
C	H22	sing	1.09Å	1.10Å
N	H23	sing	1.01Å	1.00Å
C10	H25	sing	1.09Å	1.10Å
C10	H26	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	113.0°	111.0°
N	C	H20	109.5°	109.5°
N	C	H21	109.4°	109.5°
N	C	H22	109.5°	109.5°
C	N	H23	108.6°	111.0°
N	C1	C2	113.8°	109.4°
N	C1	H8	108.4°	109.5°
N	C1	H9	108.4°	109.5°
C1	N	H23	108.6°	111.0°
N3	C10	N2	106.5°	102.8°
C10	N3	N1	106.3°	104.5°
C10	N3	H14	110.3°	111.0°
N3	C10	H25	110.2°	110.8°
N3	C10	H26	110.2°	110.8°
C10	N2	C9	103.5°	104.0°
C10	N2	H4	110.9°	111.0°
N2	C10	H25	110.2°	110.7°
N2	C10	H26	110.2°	110.7°
C1	C2	C7	116.2°	109.4°
C1	C2	C3	109.7°	109.5°
C2	C1	H8	108.4°	109.5°
C2	C1	H9	108.4°	109.5°
C1	C2	H19	107.5°	109.5°
N3	N1	C9	106.6°	106.8°
N3	N1	C8	107.6°	111.0°
N1	N3	H14	110.2°	111.0°
N2	C9	N1	105.6°	106.6°
C9	N2	H4	110.9°	111.0°
N2	C9	H6	110.5°	110.0°
N2	C9	H7	110.4°	110.1°
C9	N1	C8	110.0°	111.0°
N1	C9	H6	110.4°	110.0°
N1	C9	H7	110.4°	110.0°
N1	C8	C7	109.7°	109.5°
N1	C8	H2	109.4°	109.5°
N1	C8	H3	109.4°	109.5°
C7	C2	C3	107.8°	109.5°
C2	C7	C8	108.6°	109.5°
C2	C7	C6	106.0°	109.5°
C2	C7	H1	112.5°	109.5°
C7	C2	H19	107.6°	109.5°
C2	C3	C4	110.4°	109.5°
C2	C3	H17	109.2°	109.5°
C2	C3	H18	109.2°	109.5°
C3	C2	H19	107.8°	109.5°
C8	C7	C6	102.9°	109.5°
C8	C7	H1	113.2°	109.5°
C7	C8	H2	109.4°	109.4°
C7	C8	H3	109.4°	109.4°
C7	C6	C5	109.3°	109.5°
C6	C7	H1	112.9°	109.5°
C7	C6	H12	109.5°	109.5°
C7	C6	H13	109.5°	109.4°
C3	C4	C5	113.7°	109.5°
C3	C4	H15	108.4°	109.5°
C3	C4	H16	108.4°	109.5°
C4	C3	H17	109.3°	109.5°
C4	C3	H18	109.2°	109.4°
C6	C5	C4	111.9°	109.4°
C6	C5	H10	108.8°	109.4°
C6	C5	H11	108.9°	109.4°
C5	C6	H12	109.5°	109.5°
C5	C6	H13	109.5°	109.5°
C4	C5	H10	108.9°	109.5°
C4	C5	H11	108.8°	109.5°
C5	C4	H15	108.4°	109.5°
C5	C4	H16	108.4°	109.4°
H2	C8	H3	109.5°	109.5°
H6	C9	H7	109.4°	110.0°
H8	C1	H9	109.4°	109.5°
H10	C5	H11	109.5°	109.5°
H12	C6	H13	109.5°	109.5°
H15	C4	H16	109.5°	109.4°
H17	C3	H18	109.4°	109.5°
H20	C	H21	109.5°	109.4°
H20	C	H22	109.5°	109.5°
H21	C	H22	109.5°	109.4°
H25	C10	H26	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	H23	120.5°	123.9°
C	N	C1	C2	90.6°	180.0°
C	N	C1	H8	30.1°	60.0°
C	N	C1	H9	148.8°	60.0°
N	C	H20	H21	120.0°	120.0°
N	C	H20	H22	120.0°	120.1°
N	C	H21	H22	120.0°	120.0°
N	C1	C2	H8	120.7°	120.0°
N	C1	C2	H9	120.6°	120.0°
N	C1	C2	C7	130.2°	175.0°
N	C1	C2	C3	107.2°	65.0°
N	C1	H8	H9	118.1°	120.0°
N	C1	C2	H19	9.7°	55.0°
C1	N	C	H20	180.0°	59.9°
C1	N	C	H21	60.0°	60.0°
C1	N	C	H22	60.0°	180.0°
N3	C10	N2	H25	119.5°	118.3°
N3	C10	N2	H26	119.5°	118.4°
C10	N3	N1	H14	119.5°	119.8°
N3	C10	N2	C9	32.6°	37.2°
C10	N3	N1	C9	0.6°	23.5°
C10	N3	N1	C8	118.6°	144.7°
N3	C10	N2	H4	151.7°	82.2°
N3	C10	H25	H26	121.4°	123.4°
N2	C10	N3	N1	19.8°	37.6°
C10	N2	C9	H4	119.1°	119.4°
C10	N2	C9	N1	32.7°	23.0°
C10	N2	C9	H6	86.8°	96.2°
C10	N2	C9	H7	152.0°	142.4°
N2	C10	N3	H14	99.6°	157.3°
N2	C10	H25	H26	121.4°	123.2°
C1	C2	C7	C3	123.5°	120.0°
C1	C2	C7	H19	120.4°	120.0°
C1	C2	C3	H19	116.7°	120.0°
C1	C2	C7	C8	83.2°	60.0°
C1	C2	C7	C6	166.8°	60.0°
C1	C2	C3	C4	172.2°	60.0°
C1	C2	C7	H1	42.8°	180.0°
C2	C1	H8	H9	118.0°	120.1°
C1	C2	C3	H17	52.0°	60.0°
C1	C2	C3	H18	67.7°	179.9°
C2	C1	N	H23	148.9°	56.0°
N3	N1	C9	N2	20.9°	0.2°
N3	N1	C9	C8	116.3°	121.2°
N3	N1	C8	C7	76.6°	66.3°
N3	N1	C8	H2	43.5°	53.6°
N3	N1	C8	H3	163.4°	173.7°
N3	N1	C9	H6	98.5°	119.5°
N3	N1	C9	H7	140.3°	119.1°
N1	N3	C10	H25	99.7°	80.7°
N1	N3	C10	H26	139.4°	155.9°
N2	C9	N1	H6	119.4°	119.3°
N2	C9	N1	H7	119.4°	119.4°
N2	C9	N1	C8	137.2°	121.4°
N2	C9	H6	H7	121.8°	121.5°
C9	N2	C10	H25	86.9°	81.1°
C9	N2	C10	H26	152.2°	155.6°
C9	N1	C8	C7	167.7°	175.0°
C9	N1	C8	H2	72.3°	65.0°
C9	N1	C8	H3	47.7°	55.1°
N1	C9	N2	H4	151.7°	96.3°
N1	C9	H6	H7	121.8°	121.4°
C9	N1	N3	H14	120.1°	143.3°
N1	C8	C7	C2	98.6°	175.0°
N1	C8	C7	H2	120.0°	120.0°
N1	C8	C7	H3	120.0°	120.0°
N1	C8	C7	C6	149.3°	65.0°
N1	C8	C7	H1	27.1°	55.0°
N1	C8	H2	H3	119.9°	120.1°
C8	N1	C9	H6	17.8°	119.3°
C8	N1	C9	H7	103.4°	2.1°
C8	N1	N3	H14	121.9°	95.5°
C7	C2	C3	H19	115.9°	120.0°
C2	C7	C8	C6	112.1°	120.0°
C2	C7	C8	H1	125.7°	120.0°
C2	C7	C6	H1	123.6°	120.0°
C7	C2	C3	C4	60.4°	60.0°
C2	C7	C6	C5	66.4°	60.0°
C2	C7	C8	H2	21.4°	55.0°
C2	C7	C8	H3	141.4°	65.0°
C7	C2	C1	H8	109.1°	55.1°
C7	C2	C1	H9	9.6°	65.0°
C2	C7	C6	H12	173.7°	60.0°
C2	C7	C6	H13	53.6°	180.0°
C7	C2	C3	H17	179.4°	180.0°
C7	C2	C3	H18	59.7°	60.0°
C3	C2	C7	C8	40.3°	180.0°
C3	C2	C7	C6	69.7°	60.0°
C2	C3	C4	H17	120.2°	120.0°
C2	C3	C4	H18	120.1°	120.0°
C2	C3	C4	C5	49.0°	60.0°
C3	C2	C7	H1	166.4°	60.0°
C3	C2	C1	H8	13.5°	175.0°
C3	C2	C1	H9	132.2°	55.0°
C2	C3	C4	H15	71.6°	60.0°
C2	C3	C4	H16	169.6°	180.0°
C2	C3	H17	H18	119.6°	120.1°
C8	C7	C6	H1	122.4°	120.0°
C8	C7	C6	C5	47.6°	NaN°
C7	C8	H2	H3	119.9°	120.0°
C8	C7	C6	H12	72.4°	60.0°
C8	C7	C6	H13	167.6°	60.0°
C8	C7	C2	H19	156.4°	60.0°
C7	C6	C5	H12	120.0°	120.0°
C7	C6	C5	H13	120.0°	120.0°
C7	C6	C5	C4	55.0°	60.0°
C6	C7	C8	H2	90.7°	175.0°
C6	C7	C8	H3	29.3°	54.9°
C7	C6	C5	H10	65.4°	179.9°
C7	C6	C5	H11	175.4°	60.0°
C7	C6	H12	H13	120.1°	119.9°
C6	C7	C2	H19	46.4°	180.0°
C3	C4	C5	C6	45.9°	60.0°
C3	C4	C5	H15	120.7°	120.1°
C3	C4	C5	H16	120.6°	120.0°
C3	C4	C5	H10	74.5°	180.0°
C3	C4	C5	H11	166.3°	60.0°
C3	C4	H15	H16	118.1°	120.0°
C4	C3	H17	H18	119.6°	119.9°
C4	C3	C2	H19	55.5°	180.0°
C6	C5	C4	H10	120.4°	120.0°
C6	C5	C4	H11	120.4°	120.0°
C5	C6	C7	H1	170.0°	60.0°
C6	C5	H10	H11	118.9°	119.9°
C5	C6	H12	H13	120.0°	120.0°
C6	C5	C4	H15	74.7°	60.1°
C6	C5	C4	H16	166.5°	180.0°
C4	C5	H10	H11	118.9°	120.1°
C4	C5	C6	H12	175.0°	60.0°
C4	C5	C6	H13	65.0°	180.0°
C5	C4	H15	H16	118.0°	119.9°
C5	C4	C3	H17	169.2°	180.0°
C5	C4	C3	H18	71.1°	60.0°
H1	C7	C8	H2	147.1°	65.0°
H1	C7	C8	H3	93.0°	175.0°
H1	C7	C6	H12	50.0°	NaN°
H1	C7	C6	H13	70.0°	60.0°
H1	C7	C2	H19	77.6°	60.0°
H4	N2	C9	H6	32.3°	144.4°
H4	N2	C9	H7	88.9°	23.0°
H4	N2	C10	H25	32.2°	159.4°
H4	N2	C10	H26	88.8°	36.2°
H8	C1	C2	H19	130.4°	65.0°
H8	C1	N	H23	90.4°	63.9°
H9	C1	C2	H19	110.9°	175.0°
H9	C1	N	H23	28.3°	176.1°
H10	C5	C6	H12	54.6°	60.0°
H10	C5	C6	H13	174.6°	60.0°
H10	C5	C4	H15	164.9°	59.9°
H10	C5	C4	H16	46.2°	60.0°
H11	C5	C6	H12	64.6°	180.0°
H11	C5	C6	H13	55.4°	60.0°
H11	C5	C4	H15	45.6°	180.0°
H11	C5	C4	H16	73.1°	60.0°
H14	N3	C10	H25	140.8°	39.0°
H14	N3	C10	H26	19.9°	84.4°
H15	C4	C3	H17	48.5°	60.0°
H15	C4	C3	H18	168.2°	180.0°
H16	C4	C3	H17	70.2°	60.0°
H16	C4	C3	H18	49.5°	60.0°
H17	C3	C2	H19	64.7°	60.0°
H18	C3	C2	H19	175.6°	60.1°
H20	C	H21	H22	120.0°	120.0°
H20	C	N	H23	59.5°	64.0°
H21	C	N	H23	60.5°	176.1°
H22	C	N	H23	179.5°	56.1°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5STN