O9N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C45	O9	sing	1.45Å	1.45Å
O9	C44	sing	1.34Å	1.33Å
C44	O8	doub	1.21Å	1.21Å
C44	C35	sing	1.51Å	1.52Å
C34	C35	sing	1.53Å	1.53Å
C34	C26	sing	1.53Å	1.54Å
C35	N6	sing	1.47Å	1.46Å
C27	C26	sing	1.53Å	1.53Å
C27	C28	sing	1.51Å	1.51Å
C29	C28	doub	1.38Å	1.39Å	Aromatic
C29	C30	sing	1.38Å	1.39Å	Aromatic
N5	C26	sing	1.47Å	1.45Å
C28	C33	sing	1.38Å	1.39Å	Aromatic
C30	C31	doub	1.38Å	1.38Å	Aromatic
C31	C32	sing	1.38Å	1.38Å	Aromatic
C33	C32	doub	1.38Å	1.39Å	Aromatic
C26	H1	sing	1.09Å	1.10Å
N5	H2	sing	1.01Å	1.00Å
N5	H3	sing	1.01Å	1.00Å
C27	H5	sing	1.09Å	1.10Å
C27	H6	sing	1.09Å	1.10Å
C29	H7	sing	1.08Å	1.08Å
C30	H8	sing	1.08Å	1.08Å
C31	H9	sing	1.08Å	1.08Å
C32	H10	sing	1.08Å	1.08Å
C33	H11	sing	1.08Å	1.08Å
C34	H12	sing	1.09Å	1.10Å
C34	H13	sing	1.09Å	1.10Å
C35	H14	sing	1.09Å	1.10Å
N6	H15	sing	1.01Å	1.00Å
N6	H16	sing	1.01Å	1.00Å
C45	H18	sing	1.09Å	1.10Å
C45	H19	sing	1.09Å	1.10Å
C45	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C45	O9	C44	117.3°	117.0°
O9	C45	H18	109.5°	109.5°
O9	C45	H19	109.4°	109.4°
O9	C45	H20	109.5°	109.5°
O9	C44	O8	124.3°	120.0°
O9	C44	C35	111.5°	120.0°
O8	C44	C35	124.2°	120.0°
C44	C35	C34	112.4°	109.5°
C44	C35	N6	110.6°	109.4°
C44	C35	H14	105.9°	109.5°
C35	C34	C26	118.5°	109.4°
C34	C35	N6	114.9°	109.5°
C35	C34	H12	107.1°	109.5°
C35	C34	H13	107.2°	109.5°
C34	C35	H14	105.7°	109.5°
C34	C26	C27	111.7°	109.4°
C34	C26	N5	109.8°	109.4°
C34	C26	H1	108.5°	109.5°
C26	C34	H12	107.2°	109.4°
C26	C34	H13	107.2°	109.5°
N6	C35	H14	106.6°	109.4°
C35	N6	H15	109.5°	111.0°
C35	N6	H16	109.5°	111.0°
C26	C27	C28	113.6°	109.4°
C27	C26	N5	108.6°	109.5°
C27	C26	H1	108.5°	109.5°
C26	C27	H5	108.4°	109.5°
C26	C27	H6	108.4°	109.5°
C27	C28	C29	120.7°	120.0°
C27	C28	C33	120.6°	120.0°
C28	C27	H5	108.4°	109.5°
C28	C27	H6	108.4°	109.5°
C28	C29	C30	120.8°	120.0°
C29	C28	C33	118.5°	120.0°
C28	C29	H7	119.6°	120.0°
C29	C30	C31	120.0°	120.0°
C30	C29	H7	119.6°	120.0°
C29	C30	H8	120.1°	120.0°
N5	C26	H1	109.6°	109.5°
C26	N5	H2	109.5°	111.0°
C26	N5	H3	109.5°	111.0°
C28	C33	C32	120.6°	120.0°
C28	C33	H11	119.7°	120.0°
C30	C31	C32	119.8°	120.0°
C31	C30	H8	120.0°	120.0°
C30	C31	H9	120.1°	120.0°
C31	C32	C33	120.3°	120.0°
C32	C31	H9	120.1°	120.0°
C31	C32	H10	119.9°	119.9°
C33	C32	H10	119.8°	120.0°
C32	C33	H11	119.7°	120.0°
H2	N5	H3	109.5°	111.0°
H5	C27	H6	109.5°	109.5°
H12	C34	H13	109.5°	109.5°
H15	N6	H16	109.5°	111.0°
H18	C45	H19	109.5°	109.5°
H18	C45	H20	109.4°	109.5°
H19	C45	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C45	O9	C44	O8	6.7°	0.0°
C45	O9	C44	C35	174.8°	180.0°
O9	C45	H18	H19	120.0°	120.0°
O9	C45	H18	H20	120.0°	120.0°
O9	C45	H19	H20	120.0°	120.0°
O9	C44	O8	C35	178.3°	180.0°
O9	C44	C35	C34	71.1°	80.0°
O9	C44	C35	N6	58.8°	160.0°
O9	C44	C35	H14	173.9°	40.0°
C44	O9	C45	H18	180.0°	60.0°
C44	O9	C45	H19	60.0°	60.0°
C44	O9	C45	H20	60.0°	180.0°
O8	C44	C35	C34	110.5°	100.0°
O8	C44	C35	N6	119.7°	20.0°
O8	C44	C35	H14	4.5°	139.9°
C44	C35	C34	N6	127.6°	120.0°
C44	C35	C34	H14	115.1°	120.1°
C44	C35	C34	C26	166.4°	175.0°
C44	C35	N6	H14	114.7°	120.0°
C44	C35	C34	H12	72.3°	55.1°
C44	C35	C34	H13	45.1°	65.0°
C44	C35	N6	H15	180.0°	63.9°
C44	C35	N6	H16	60.0°	60.0°
C35	C34	C26	H12	121.3°	119.9°
C35	C34	C26	H13	121.3°	120.0°
C34	C35	N6	H14	116.8°	120.0°
C35	C34	C26	C27	159.9°	175.0°
C35	C34	C26	N5	79.5°	65.0°
C35	C34	C26	H1	40.3°	55.0°
C35	C34	H12	H13	115.9°	120.1°
C34	C35	N6	H15	51.4°	176.1°
C34	C35	N6	H16	171.5°	59.9°
C26	C34	C35	N6	66.0°	65.1°
C34	C26	C27	N5	121.3°	119.9°
C34	C26	C27	H1	119.6°	120.0°
C34	C26	C27	C28	163.9°	175.0°
C34	C26	N5	H1	119.1°	120.0°
C34	C26	N5	H2	180.0°	60.0°
C34	C26	N5	H3	60.0°	176.1°
C34	C26	C27	H5	43.3°	65.0°
C34	C26	C27	H6	75.5°	55.1°
C26	C34	H12	H13	115.9°	120.0°
C26	C34	C35	H14	51.3°	54.9°
N6	C35	C34	H12	55.3°	175.0°
N6	C35	C34	H13	172.8°	55.0°
C35	N6	H15	H16	120.0°	124.0°
C26	C27	C28	H5	120.6°	120.1°
C26	C27	C28	H6	120.6°	120.0°
C26	C27	C28	C29	98.9°	89.7°
C27	C26	N5	H1	118.4°	120.1°
C26	C27	C28	C33	75.3°	90.0°
C27	C26	N5	H2	57.5°	60.0°
C27	C26	N5	H3	177.6°	64.0°
C26	C27	H5	H6	118.1°	120.0°
C27	C26	C34	H12	78.8°	55.1°
C27	C26	C34	H13	38.6°	65.0°
C27	C28	C29	C33	174.3°	179.7°
C27	C28	C29	C30	177.0°	179.7°
C28	C27	C26	N5	42.6°	65.0°
C27	C28	C33	C32	177.3°	179.7°
C28	C27	C26	H1	76.5°	55.0°
C28	C27	H5	H6	118.1°	120.0°
C27	C28	C29	H7	3.0°	0.3°
C27	C28	C33	H11	2.7°	0.0°
C28	C29	C30	H7	180.0°	179.9°
C28	C29	C30	C31	1.8°	0.1°
C29	C28	C33	C32	3.0°	0.0°
C29	C28	C27	H5	21.7°	150.3°
C29	C28	C27	H6	140.5°	30.3°
C28	C29	C30	H8	178.2°	180.0°
C29	C28	C33	H11	177.0°	179.7°
C30	C29	C28	C33	2.7°	0.0°
C29	C30	C31	H8	180.0°	180.0°
C29	C30	C31	C32	1.0°	0.0°
C29	C30	C31	H9	178.9°	179.9°
C26	N5	H2	H3	120.0°	124.0°
N5	C26	C27	H5	78.0°	55.0°
N5	C26	C27	H6	163.2°	175.0°
N5	C26	C34	H12	41.7°	175.0°
N5	C26	C34	H13	159.2°	55.0°
C28	C33	C32	C31	2.4°	0.0°
C28	C33	C32	H11	180.0°	179.7°
C33	C28	C27	H5	164.1°	30.0°
C33	C28	C27	H6	45.3°	150.0°
C33	C28	C29	H7	177.3°	180.0°
C28	C33	C32	H10	177.6°	180.0°
C30	C31	C32	H9	180.0°	179.9°
C30	C31	C32	C33	1.4°	0.0°
C31	C30	C29	H7	178.3°	180.0°
C30	C31	C32	H10	178.6°	180.0°
C31	C32	C33	H10	180.0°	180.0°
C32	C31	C30	H8	179.0°	180.0°
C31	C32	C33	H11	177.6°	179.7°
C33	C32	C31	H9	178.6°	179.9°
H1	C26	N5	H2	60.9°	180.0°
H1	C26	N5	H3	59.2°	56.1°
H1	C26	C27	H5	162.9°	175.0°
H1	C26	C27	H6	44.1°	64.9°
H1	C26	C34	H12	161.5°	65.0°
H1	C26	C34	H13	81.0°	175.0°
H7	C29	C30	H8	1.7°	0.0°
H8	C30	C31	H9	1.1°	0.1°
H9	C31	C32	H10	1.4°	0.1°
H10	C32	C33	H11	2.4°	0.3°
H12	C34	C35	H14	172.6°	65.0°
H13	C34	C35	H14	70.0°	175.0°
H14	C35	N6	H15	65.3°	56.0°
H14	C35	N6	H16	54.7°	180.0°
H18	C45	H19	H20	120.0°	120.0°

Release date:	2021-03-31
Definition date:	2020-02-24
Last modified:	2021-03-26
Release status:	REL
Processing site:	PDBE
Derived from:	6Y4N