C9R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C35	O34	sing	1.43Å	1.40Å
N32	N31	sing	1.40Å	1.34Å	Aromatic
N32	C33	doub	1.31Å	1.33Å	Aromatic
N31	C30	sing	1.37Å	1.35Å	Aromatic
C33	O34	sing	1.36Å	1.40Å
C33	C29	sing	1.46Å	1.44Å	Aromatic
C30	C29	doub	1.41Å	1.39Å	Aromatic
C30	N36	sing	1.33Å	1.36Å	Aromatic
C29	C28	sing	1.40Å	1.42Å	Aromatic
N36	C37	doub	1.31Å	1.32Å	Aromatic
C28	C27	doub	1.39Å	1.41Å	Aromatic
C37	C27	sing	1.40Å	1.40Å	Aromatic
C27	C26	sing	1.49Å	1.51Å
C26	N25	sing	1.34Å	1.32Å	Aromatic
C26	C38	doub	1.36Å	1.39Å	Aromatic
N25	N24	doub	1.29Å	1.35Å	Aromatic
C38	N23	sing	1.36Å	1.32Å	Aromatic
N24	N23	sing	1.40Å	1.35Å	Aromatic
N23	C22	sing	1.40Å	1.43Å
F21	C20	sing	1.35Å	1.36Å
C22	C20	doub	1.39Å	1.38Å	Aromatic
C22	C02	sing	1.39Å	1.36Å	Aromatic
F01	C02	sing	1.35Å	1.35Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C02	C03	doub	1.39Å	1.35Å	Aromatic
C19	C18	doub	1.38Å	1.40Å	Aromatic
C03	N04	sing	1.40Å	1.44Å
C03	C18	sing	1.39Å	1.39Å	Aromatic
N04	S05	sing	1.66Å	1.68Å
C07	C08	doub	1.39Å	1.40Å	Aromatic
C07	C06	sing	1.36Å	1.39Å	Aromatic
C08	C09	sing	1.36Å	1.40Å	Aromatic
S05	C06	sing	1.76Å	1.81Å
S05	O16	doub	1.42Å	1.47Å
S05	O17	doub	1.42Å	1.46Å
C06	C11	doub	1.40Å	1.43Å	Aromatic
C09	C10	doub	1.40Å	1.43Å	Aromatic
C11	C10	sing	1.42Å	1.37Å	Aromatic
C11	C12	sing	1.41Å	1.43Å	Aromatic
C10	C15	sing	1.41Å	1.43Å	Aromatic
C12	C13	doub	1.36Å	1.39Å	Aromatic
C15	C14	doub	1.36Å	1.40Å	Aromatic
C13	C14	sing	1.39Å	1.40Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C28	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C35	H11	sing	1.09Å	1.10Å
C35	H12	sing	1.09Å	1.10Å
C35	H13	sing	1.09Å	1.10Å
C37	H14	sing	1.08Å	1.08Å
C38	H15	sing	1.08Å	1.08Å
N04	H16	sing	0.97Å	1.00Å
N31	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C35	O34	C33	113.4°	117.0°
O34	C35	H11	109.5°	109.5°
O34	C35	H12	109.5°	109.5°
O34	C35	H13	109.5°	109.4°
N31	N32	C33	108.7°	110.1°
N32	N31	C30	110.4°	109.3°
N32	N31	H17	124.8°	125.4°
N32	C33	O34	126.0°	126.2°
N32	C33	C29	108.2°	107.5°
N31	C30	C29	107.6°	106.6°
N31	C30	N36	130.4°	133.3°
C30	N31	H17	124.8°	125.3°
O34	C33	C29	125.8°	126.3°
C33	C29	C30	105.1°	106.4°
C33	C29	C28	136.2°	134.1°
C29	C30	N36	122.0°	120.1°
C30	C29	C28	118.7°	119.5°
C30	N36	C37	121.2°	121.8°
C29	C28	C27	117.0°	118.0°
C29	C28	H3	121.5°	121.1°
N36	C37	C27	119.9°	121.4°
N36	C37	H14	120.0°	119.3°
C28	C27	C37	121.2°	119.2°
C28	C27	C26	117.4°	120.4°
C27	C28	H3	121.5°	120.9°
C37	C27	C26	121.4°	120.4°
C27	C37	H14	120.1°	119.3°
C27	C26	N25	122.2°	125.7°
C27	C26	C38	128.5°	125.6°
N25	C26	C38	109.4°	108.7°
C26	N25	N24	107.7°	109.9°
C26	C38	N23	105.4°	106.7°
C26	C38	H15	127.3°	126.7°
N25	N24	N23	107.1°	108.2°
C38	N23	N24	110.5°	106.5°
C38	N23	C22	130.2°	126.8°
N23	C38	H15	127.3°	126.7°
N24	N23	C22	119.3°	126.7°
N23	C22	C20	122.7°	120.0°
N23	C22	C02	116.4°	120.1°
F21	C20	C22	117.4°	120.0°
F21	C20	C19	122.9°	120.0°
C20	C22	C02	120.8°	119.9°
C22	C20	C19	119.8°	120.0°
C22	C02	F01	121.5°	120.1°
C22	C02	C03	120.2°	119.9°
F01	C02	C03	118.2°	120.1°
C20	C19	C18	119.1°	120.2°
C20	C19	H10	120.4°	119.9°
C02	C03	N04	112.8°	120.0°
C02	C03	C18	121.1°	119.9°
C19	C18	C03	118.9°	120.1°
C19	C18	H9	120.5°	120.0°
C18	C19	H10	120.4°	119.9°
N04	C03	C18	126.0°	120.1°
C03	N04	S05	117.6°	120.0°
C03	N04	H16	107.4°	120.0°
C03	C18	H9	120.5°	119.9°
N04	S05	C06	107.4°	107.2°
N04	S05	O16	109.4°	106.4°
N04	S05	O17	111.9°	106.4°
S05	N04	H16	107.4°	120.0°
C08	C07	C06	118.9°	121.0°
C07	C08	C09	119.7°	120.9°
C08	C07	H4	120.5°	119.5°
C07	C08	H5	120.2°	119.5°
C07	C06	S05	118.2°	120.2°
C07	C06	C11	121.6°	119.6°
C06	C07	H4	120.6°	119.5°
C08	C09	C10	121.0°	119.6°
C09	C08	H5	120.2°	119.5°
C08	C09	H6	119.5°	120.2°
C06	S05	O16	105.7°	106.4°
C06	S05	O17	115.7°	106.4°
S05	C06	C11	120.2°	120.2°
O16	S05	O17	106.5°	123.1°
C06	C11	C10	119.2°	119.4°
C06	C11	C12	120.3°	121.3°
C09	C10	C11	119.6°	119.4°
C09	C10	C15	120.4°	121.3°
C10	C09	H6	119.5°	120.2°
C10	C11	C12	120.4°	119.4°
C11	C10	C15	120.0°	119.3°
C11	C12	C13	119.9°	119.6°
C11	C12	H7	120.0°	120.2°
C10	C15	C14	119.2°	119.7°
C10	C15	H2	120.4°	120.2°
C12	C13	C14	119.4°	121.0°
C12	C13	H1	120.3°	119.5°
C13	C12	H7	120.0°	120.2°
C15	C14	C13	121.0°	121.0°
C14	C15	H2	120.4°	120.2°
C15	C14	H8	119.5°	119.5°
C14	C13	H1	120.3°	119.5°
C13	C14	H8	119.5°	119.5°
H11	C35	H12	109.5°	109.5°
H11	C35	H13	109.5°	109.5°
H12	C35	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C35	O34	C33	N32	1.6°	0.0°
C35	O34	C33	C29	179.8°	180.0°
O34	C35	H11	H12	120.0°	120.0°
O34	C35	H11	H13	120.0°	120.0°
O34	C35	H12	H13	120.0°	120.0°
N32	N31	C30	H17	180.0°	179.9°
N31	N32	C33	O34	179.8°	180.0°
N31	N32	C33	C29	1.4°	0.1°
N32	N31	C30	C29	0.5°	0.1°
N32	N31	C30	N36	179.7°	180.0°
C33	N32	N31	C30	1.2°	0.1°
N32	C33	O34	C29	178.6°	180.0°
N32	C33	C29	C30	1.1°	0.0°
N32	C33	C29	C28	179.9°	179.9°
C33	N32	N31	H17	178.8°	180.0°
N31	C30	C29	C33	0.4°	0.0°
N31	C30	C29	N36	179.3°	180.0°
N31	C30	C29	C28	179.4°	180.0°
N31	C30	N36	C37	180.0°	179.7°
O34	C33	C29	C30	179.9°	180.0°
O34	C33	C29	C28	1.3°	0.1°
C33	O34	C35	H11	180.0°	60.0°
C33	O34	C35	H12	60.0°	60.0°
C33	O34	C35	H13	60.0°	180.0°
C33	C29	C30	C28	179.0°	180.0°
C33	C29	C30	N36	179.0°	180.0°
C33	C29	C28	C27	178.7°	179.9°
C33	C29	C28	H3	1.3°	0.4°
C29	C30	N36	C37	0.9°	0.4°
C30	C29	C28	C27	0.0°	0.0°
C30	C29	C28	H3	180.0°	179.7°
C29	C30	N31	H17	179.5°	180.0°
N36	C30	C29	C28	0.1°	0.1°
C30	N36	C37	C27	1.5°	0.6°
C30	N36	C37	H14	178.5°	179.9°
N36	C30	N31	H17	0.3°	0.0°
C29	C28	C27	H3	180.0°	179.7°
C29	C28	C27	C37	0.7°	0.2°
C29	C28	C27	C26	179.7°	179.7°
N36	C37	C27	C28	1.4°	0.5°
N36	C37	C27	H14	180.0°	179.6°
N36	C37	C27	C26	178.9°	179.4°
C28	C27	C37	C26	179.6°	179.9°
C28	C27	C26	N25	27.1°	0.1°
C28	C27	C26	C38	153.1°	179.7°
C28	C27	C37	H14	178.5°	179.9°
C37	C27	C26	N25	153.3°	180.0°
C37	C27	C26	C38	26.5°	0.3°
C37	C27	C28	H3	179.3°	179.9°
C27	C26	N25	C38	179.9°	179.7°
C27	C26	N25	N24	179.7°	179.7°
C27	C26	C38	N23	179.4°	179.7°
C26	C27	C28	H3	0.3°	0.0°
C26	C27	C37	H14	1.1°	0.1°
C27	C26	C38	H15	0.6°	0.3°
N25	C26	C38	N23	0.8°	0.0°
C26	N25	N24	N23	0.1°	0.0°
N25	C26	C38	H15	179.2°	180.0°
C38	C26	N25	N24	0.4°	0.0°
C26	C38	N23	H15	180.0°	180.0°
C26	C38	N23	N24	0.9°	0.1°
C26	C38	N23	C22	179.1°	180.0°
N25	N24	N23	C38	0.7°	0.1°
N25	N24	N23	C22	179.3°	180.0°
C38	N23	N24	C22	179.9°	179.9°
C38	N23	C22	C20	59.2°	0.1°
C38	N23	C22	C02	124.8°	180.0°
N24	N23	C22	C20	120.7°	180.0°
N24	N23	C22	C02	55.3°	0.1°
N24	N23	C38	H15	179.1°	180.0°
N23	C22	C20	F21	2.8°	0.4°
N23	C22	C20	C02	175.8°	179.9°
N23	C22	C02	F01	2.8°	0.1°
N23	C22	C20	C19	177.7°	180.0°
N23	C22	C02	C03	177.8°	180.0°
C22	N23	C38	H15	0.9°	0.1°
F21	C20	C22	C19	179.5°	179.7°
F21	C20	C22	C02	178.6°	179.8°
F21	C20	C19	C18	179.2°	179.8°
F21	C20	C19	H10	0.8°	0.3°
C20	C22	C02	F01	178.9°	180.0°
C20	C22	C02	C03	1.7°	0.1°
C22	C20	C19	C18	1.3°	0.1°
C22	C20	C19	H10	178.7°	180.0°
C22	C02	F01	C03	179.4°	180.0°
C02	C22	C20	C19	1.9°	0.1°
C22	C02	C03	N04	178.8°	180.0°
C22	C02	C03	C18	1.0°	0.1°
F01	C02	C03	N04	0.6°	0.0°
F01	C02	C03	C18	179.6°	180.0°
C20	C19	C18	H10	180.0°	179.9°
C20	C19	C18	C03	0.6°	0.1°
C20	C19	C18	H9	179.4°	180.0°
C02	C03	C18	C19	0.5°	0.1°
C02	C03	N04	C18	179.8°	180.0°
C02	C03	N04	S05	171.0°	144.4°
C02	C03	C18	H9	179.5°	180.0°
C02	C03	N04	H16	49.9°	35.5°
C19	C18	C03	N04	179.3°	180.0°
C19	C18	C03	H9	180.0°	179.9°
C03	N04	S05	H16	121.2°	180.0°
C03	N04	S05	C06	79.0°	60.0°
C03	N04	S05	O16	166.7°	53.5°
C03	N04	S05	O17	49.0°	173.6°
N04	C03	C18	H9	0.7°	0.0°
C18	C03	N04	S05	9.2°	35.5°
C03	C18	C19	H10	179.4°	180.0°
C18	C03	N04	H16	130.3°	144.5°
N04	S05	C06	C07	10.4°	116.2°
N04	S05	C06	O16	116.7°	113.5°
N04	S05	C06	O17	125.8°	113.6°
N04	S05	O16	O17	121.1°	123.0°
N04	S05	C06	C11	171.2°	63.8°
C08	C07	C06	H4	180.0°	179.7°
C07	C08	C09	H5	180.0°	179.7°
C08	C07	C06	S05	179.2°	179.8°
C08	C07	C06	C11	0.9°	0.3°
C07	C08	C09	C10	0.5°	0.0°
C07	C08	C09	H6	179.5°	179.9°
C06	C07	C08	C09	0.6°	0.3°
C07	C06	S05	C11	178.4°	180.0°
C07	C06	S05	O16	106.2°	2.7°
C07	C06	S05	O17	136.3°	130.2°
C07	C06	C11	C10	0.9°	0.0°
C07	C06	C11	C12	179.5°	180.0°
C06	C07	C08	H5	179.4°	180.0°
C08	C09	C10	H6	180.0°	179.9°
C08	C09	C10	C11	0.5°	0.2°
C08	C09	C10	C15	179.6°	180.0°
C09	C08	C07	H4	179.4°	180.0°
C06	S05	O16	O17	123.5°	122.9°
S05	C06	C11	C10	179.2°	180.0°
S05	C06	C11	C12	1.1°	0.0°
S05	C06	C07	H4	0.8°	0.0°
C06	S05	N04	H16	159.8°	119.9°
O16	S05	C06	C11	72.2°	177.3°
O16	S05	N04	H16	45.6°	126.6°
O17	S05	C06	C11	45.3°	49.8°
O17	S05	N04	H16	72.1°	6.3°
C06	C11	C10	C09	0.7°	0.2°
C06	C11	C10	C12	179.6°	179.9°
C06	C11	C10	C15	179.4°	180.0°
C06	C11	C12	C13	179.9°	179.9°
C11	C06	C07	H4	179.2°	180.0°
C06	C11	C12	H7	0.1°	0.0°
C09	C10	C11	C15	179.9°	179.8°
C09	C10	C11	C12	179.7°	179.7°
C09	C10	C15	C14	179.2°	179.9°
C09	C10	C15	H2	0.8°	0.0°
C10	C09	C08	H5	179.6°	179.7°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C15	C14	0.8°	0.2°
C11	C10	C15	H2	179.3°	179.7°
C11	C10	C09	H6	179.5°	179.7°
C10	C11	C12	H7	179.8°	180.0°
C12	C11	C10	C15	0.2°	0.0°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	C14	0.2°	0.3°
C11	C12	C13	H1	179.8°	179.8°
C10	C15	C14	H2	180.0°	179.9°
C10	C15	C14	C13	0.8°	0.5°
C15	C10	C09	H6	0.4°	0.1°
C10	C15	C14	H8	179.2°	180.0°
C12	C13	C14	C15	0.3°	0.5°
C12	C13	C14	H1	180.0°	179.5°
C12	C13	C14	H8	179.7°	180.0°
C15	C14	C13	H8	180.0°	179.5°
C15	C14	C13	H1	179.7°	180.0°
C13	C14	C15	H2	179.2°	179.4°
C14	C13	C12	H7	179.8°	179.7°
H1	C13	C12	H7	0.2°	0.3°
H1	C13	C14	H8	0.3°	0.5°
H2	C15	C14	H8	0.8°	0.0°
H4	C07	C08	H5	0.6°	0.3°
H5	C08	C09	H6	0.5°	0.4°
H9	C18	C19	H10	0.6°	0.0°
H11	C35	H12	H13	120.0°	120.0°

Release date:	2020-04-22
Definition date:	2019-04-22
Last modified:	2020-04-17
Release status:	REL
Processing site:	PDBJ
Derived from:	6JUU