HJ9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C05	N03	sing	1.47Å	1.46Å
N03	C04	sing	1.47Å	1.51Å
N03	C02	sing	1.35Å	1.49Å
O01	C02	doub	1.22Å	1.16Å
C02	C06	sing	1.48Å	1.58Å
N13	C12	doub	1.31Å	1.33Å	Aromatic
N13	C14	sing	1.33Å	1.34Å	Aromatic
N15	C14	sing	1.38Å	1.35Å	Aromatic
N15	C16	sing	1.36Å	1.34Å	Aromatic
C12	C11	sing	1.40Å	1.40Å	Aromatic
C42	C06	doub	1.40Å	1.38Å	Aromatic
C42	C10	sing	1.39Å	1.40Å	Aromatic
C14	C40	doub	1.41Å	1.39Å	Aromatic
C06	C07	sing	1.40Å	1.39Å	Aromatic
C16	C17	doub	1.36Å	1.40Å	Aromatic
C11	C10	sing	1.48Å	1.57Å
C11	C41	doub	1.39Å	1.40Å	Aromatic
C40	C17	sing	1.47Å	1.43Å	Aromatic
C40	C41	sing	1.39Å	1.41Å	Aromatic
C10	C09	doub	1.39Å	1.38Å	Aromatic
C17	C18	sing	1.48Å	1.59Å
C07	N08	doub	1.32Å	1.33Å	Aromatic
C19	C18	doub	1.39Å	1.40Å	Aromatic
C19	C20	sing	1.39Å	1.41Å	Aromatic
C21	C20	sing	1.47Å	1.54Å
C18	C37	sing	1.40Å	1.41Å	Aromatic
C09	N08	sing	1.32Å	1.32Å	Aromatic
C20	C32	doub	1.41Å	1.41Å	Aromatic
C37	O38	sing	1.36Å	1.40Å
C37	C36	doub	1.39Å	1.40Å	Aromatic
C32	C36	sing	1.39Å	1.40Å	Aromatic
C32	B33	sing	1.57Å	1.58Å
O38	C39	sing	1.43Å	1.44Å
B33	O34	sing	1.42Å	1.33Å
B33	O35	sing	1.42Å	1.36Å
C04	H1	sing	1.09Å	1.10Å
C04	H2	sing	1.09Å	1.10Å
C04	H3	sing	1.09Å	1.10Å
C05	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.09Å	1.10Å
C07	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
C36	H15	sing	1.08Å	1.08Å
C39	H16	sing	1.09Å	1.10Å
C39	H17	sing	1.09Å	1.10Å
C39	H18	sing	1.09Å	1.10Å
C41	H19	sing	1.08Å	1.08Å
C42	H20	sing	1.08Å	1.08Å
N15	H21	sing	0.97Å	1.00Å
O35	H22	sing	0.97Å	0.95Å
C21	O1	doub	1.21Å	1.28Å
O34	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C05	N03	C04	119.6°	120.0°
C05	N03	C02	119.7°	120.0°
N03	C05	H4	109.5°	109.5°
N03	C05	H5	109.5°	109.5°
N03	C05	H6	109.5°	109.5°
C04	N03	C02	120.6°	120.0°
N03	C04	H1	109.5°	109.4°
N03	C04	H2	109.5°	109.5°
N03	C04	H3	109.5°	109.5°
N03	C02	O01	119.9°	120.0°
N03	C02	C06	120.8°	120.0°
O01	C02	C06	119.2°	120.0°
C02	C06	C42	118.0°	120.5°
C02	C06	C07	122.6°	120.5°
C12	N13	C14	121.3°	121.9°
N13	C12	C11	120.5°	121.4°
N13	C12	H9	119.8°	119.3°
N13	C14	N15	130.5°	132.8°
N13	C14	C40	121.5°	120.0°
C14	N15	C16	110.1°	110.4°
N15	C14	C40	107.9°	107.2°
C14	N15	H21	125.0°	124.9°
N15	C16	C17	109.6°	109.7°
N15	C16	H10	125.2°	125.1°
C16	N15	H21	125.0°	124.7°
C12	C11	C10	118.5°	120.4°
C12	C11	C41	119.9°	119.1°
C11	C12	H9	119.8°	119.3°
C06	C42	C10	118.6°	118.2°
C42	C06	C07	119.4°	119.0°
C06	C42	H20	120.7°	120.8°
C42	C10	C11	117.4°	120.5°
C42	C10	C09	119.1°	119.1°
C10	C42	H20	120.7°	121.0°
C14	C40	C17	107.5°	106.2°
C14	C40	C41	118.6°	119.7°
C06	C07	N08	120.7°	120.8°
C06	C07	H7	119.6°	119.6°
C16	C17	C40	104.9°	106.5°
C16	C17	C18	126.9°	126.7°
C17	C16	H10	125.2°	125.1°
C10	C11	C41	121.6°	120.5°
C11	C10	C09	123.4°	120.5°
C11	C41	C40	118.2°	118.0°
C11	C41	H19	120.9°	121.0°
C17	C40	C41	133.9°	134.1°
C40	C17	C18	128.2°	126.8°
C40	C41	H19	120.9°	121.0°
C10	C09	N08	120.9°	121.0°
C10	C09	H8	119.5°	119.5°
C17	C18	C19	120.3°	120.0°
C17	C18	C37	120.1°	119.9°
C07	N08	C09	121.1°	122.0°
N08	C07	H7	119.6°	119.6°
C18	C19	C20	120.7°	119.9°
C19	C18	C37	119.6°	120.1°
C18	C19	H11	119.7°	120.1°
C19	C20	C21	118.8°	120.1°
C19	C20	C32	119.6°	119.8°
C20	C19	H11	119.6°	120.0°
C21	C20	C32	121.6°	120.1°
C20	C21	H12	119.7°	119.9°
C20	C21	O1	120.6°	120.0°
C18	C37	O38	120.2°	119.9°
C18	C37	C36	119.7°	120.2°
N08	C09	H8	119.5°	119.5°
C20	C32	C36	119.6°	119.9°
C20	C32	B33	122.9°	120.0°
O38	C37	C36	120.1°	119.9°
C37	O38	C39	114.7°	117.0°
C37	C36	C32	120.7°	120.1°
C37	C36	H15	119.6°	119.9°
C36	C32	B33	117.5°	120.1°
C32	C36	H15	119.6°	119.9°
C32	B33	O34	120.3°	120.0°
C32	B33	O35	117.3°	120.0°
O38	C39	H16	109.5°	109.5°
O38	C39	H17	109.5°	109.5°
O38	C39	H18	109.4°	109.4°
O34	B33	O35	116.9°	120.0°
B33	O34	H13	109.5°	114.0°
B33	O35	H22	109.5°	114.0°
H1	C04	H2	109.5°	109.5°
H1	C04	H3	109.5°	109.4°
H2	C04	H3	109.5°	109.5°
H4	C05	H5	109.4°	109.4°
H4	C05	H6	109.5°	109.4°
H5	C05	H6	109.5°	109.5°
H12	C21	O1	119.7°	120.0°
H16	C39	H17	109.5°	109.5°
H16	C39	H18	109.5°	109.5°
H17	C39	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C05	N03	C04	C02	179.5°	179.9°
C05	N03	C02	O01	0.7°	3.3°
C05	N03	C02	C06	179.5°	176.6°
C05	N03	C04	H1	180.0°	95.4°
C05	N03	C04	H2	60.0°	144.5°
C05	N03	C04	H3	60.0°	24.5°
N03	C05	H4	H5	120.0°	120.0°
N03	C05	H4	H6	120.0°	120.0°
N03	C05	H5	H6	120.0°	120.0°
C04	N03	C02	O01	179.8°	176.7°
C04	N03	C02	C06	1.0°	3.3°
N03	C04	H1	H2	120.0°	120.0°
N03	C04	H1	H3	120.0°	120.0°
N03	C04	H2	H3	120.0°	120.1°
C04	N03	C05	H4	180.0°	90.0°
C04	N03	C05	H5	60.0°	150.1°
C04	N03	C05	H6	60.0°	30.1°
N03	C02	O01	C06	178.8°	180.0°
N03	C02	C06	C42	69.5°	35.7°
N03	C02	C06	C07	111.5°	144.1°
C02	N03	C04	H1	0.5°	84.6°
C02	N03	C04	H2	119.5°	35.4°
C02	N03	C04	H3	120.5°	155.4°
C02	N03	C05	H4	0.5°	90.0°
C02	N03	C05	H5	120.5°	30.0°
C02	N03	C05	H6	119.5°	150.0°
O01	C02	C06	C42	109.3°	144.3°
O01	C02	C06	C07	69.7°	35.9°
C02	C06	C42	C07	179.0°	179.8°
C02	C06	C42	C10	179.7°	180.0°
C02	C06	C07	N08	179.6°	180.0°
C02	C06	C07	H7	0.4°	0.1°
C02	C06	C42	H20	0.3°	0.0°
C12	N13	C14	N15	179.9°	180.0°
N13	C12	C11	H9	180.0°	179.9°
C12	N13	C14	C40	0.2°	0.2°
N13	C12	C11	C10	179.7°	180.0°
N13	C12	C11	C41	0.4°	0.2°
N13	C14	N15	C40	179.9°	179.8°
N13	C14	N15	C16	179.9°	179.7°
C14	N13	C12	C11	0.0°	0.0°
N13	C14	C40	C17	179.7°	180.0°
N13	C14	C40	C41	0.1°	0.2°
C14	N13	C12	H9	180.0°	179.9°
N13	C14	N15	H21	0.1°	0.3°
C14	N15	C16	H21	180.0°	180.0°
C14	N15	C16	C17	0.2°	0.3°
N15	C14	C40	C17	0.2°	0.2°
N15	C14	C40	C41	180.0°	180.0°
C14	N15	C16	H10	179.8°	179.9°
C16	N15	C14	C40	0.0°	0.0°
N15	C16	C17	H10	180.0°	179.6°
N15	C16	C17	C40	0.3°	0.4°
N15	C16	C17	C18	179.7°	179.6°
C12	C11	C10	C42	48.1°	0.0°
C12	C11	C10	C41	179.3°	179.8°
C12	C11	C41	C40	0.5°	0.3°
C12	C11	C10	C09	131.6°	179.7°
C12	C11	C41	H19	179.5°	179.8°
C06	C42	C10	H20	180.0°	180.0°
C06	C42	C10	C11	179.4°	179.7°
C06	C42	C10	C09	0.3°	0.0°
C42	C06	C07	N08	0.6°	0.2°
C42	C06	C07	H7	179.4°	179.7°
C10	C42	C06	C07	0.7°	0.2°
C42	C10	C11	C09	179.7°	179.7°
C42	C10	C11	C41	131.2°	179.8°
C42	C10	C09	N08	0.1°	0.2°
C42	C10	C09	H8	179.9°	180.0°
C14	C40	C17	C16	0.3°	0.4°
C14	C40	C41	C11	0.3°	0.1°
C14	C40	C17	C41	179.8°	179.8°
C14	C40	C17	C18	179.7°	179.7°
C14	C40	C41	H19	179.8°	180.0°
C40	C14	N15	H21	180.0°	179.9°
C06	C07	N08	H7	180.0°	179.9°
C06	C07	N08	C09	0.2°	0.0°
C07	C06	C42	H20	179.3°	179.8°
C16	C17	C40	C18	179.4°	180.0°
C16	C17	C40	C41	179.9°	179.8°
C16	C17	C18	C19	47.2°	65.2°
C16	C17	C18	C37	132.7°	115.0°
C17	C16	N15	H21	179.8°	179.7°
C10	C11	C41	C40	179.8°	180.0°
C11	C10	C09	N08	179.8°	179.9°
C11	C10	C09	H8	0.2°	0.3°
C10	C11	C12	H9	0.3°	0.1°
C10	C11	C41	H19	0.2°	0.0°
C11	C10	C42	H20	0.6°	0.3°
C11	C41	C40	C17	180.0°	179.7°
C11	C41	C40	H19	180.0°	180.0°
C41	C11	C10	C09	49.1°	0.0°
C41	C11	C12	H9	179.6°	179.8°
C40	C17	C18	C19	133.6°	114.7°
C40	C17	C18	C37	46.5°	65.0°
C40	C17	C16	H10	179.7°	180.0°
C17	C40	C41	H19	0.0°	0.3°
C41	C40	C17	C18	0.5°	0.1°
C10	C09	N08	C07	0.2°	0.2°
C10	C09	N08	H8	180.0°	179.8°
C09	C10	C42	H20	179.7°	180.0°
C17	C18	C19	C37	179.9°	179.8°
C17	C18	C19	C20	179.6°	180.0°
C17	C18	C37	O38	0.1°	0.0°
C17	C18	C37	C36	179.9°	179.8°
C18	C17	C16	H10	0.3°	0.0°
C17	C18	C19	H11	0.4°	0.0°
C07	N08	C09	H8	179.8°	180.0°
C18	C19	C20	H11	180.0°	180.0°
C18	C19	C20	C21	179.9°	179.9°
C18	C19	C20	C32	0.3°	0.0°
C19	C18	C37	O38	180.0°	179.7°
C19	C18	C37	C36	0.0°	0.4°
C19	C20	C21	C32	179.8°	179.9°
C20	C19	C18	C37	0.3°	0.2°
C19	C20	C32	C36	0.0°	0.1°
C19	C20	C32	B33	179.5°	180.0°
C19	C20	C21	H12	62.7°	4.5°
C19	C20	C21	O1	117.3°	175.5°
C21	C20	C32	C36	179.8°	180.0°
C21	C20	C32	B33	0.4°	0.2°
C21	C20	C19	H11	0.1°	0.1°
C20	C21	H12	O1	180.0°	179.9°
C18	C37	O38	C36	180.0°	179.8°
C18	C37	C36	C32	0.3°	0.5°
C18	C37	O38	C39	170.2°	180.0°
C37	C18	C19	H11	179.7°	179.8°
C18	C37	C36	H15	179.7°	179.8°
C09	N08	C07	H7	179.8°	179.9°
C20	C32	C36	C37	0.3°	0.3°
C20	C32	C36	B33	179.4°	179.9°
C20	C32	B33	O34	45.3°	125.5°
C20	C32	B33	O35	161.6°	54.8°
C32	C20	C19	H11	179.7°	179.9°
C32	C20	C21	H12	117.1°	175.4°
C20	C32	C36	H15	179.7°	179.9°
C32	C20	C21	O1	62.8°	4.7°
O38	C37	C36	C32	179.7°	179.7°
O38	C37	C36	H15	0.3°	0.0°
C37	O38	C39	H16	180.0°	60.0°
C37	O38	C39	H17	60.0°	60.0°
C37	O38	C39	H18	60.0°	180.0°
C37	C36	C32	H15	180.0°	179.8°
C37	C36	C32	B33	179.8°	179.8°
C36	C37	O38	C39	9.8°	0.2°
C36	C32	B33	O34	135.2°	54.6°
C36	C32	B33	O35	17.8°	125.1°
C32	B33	O34	O35	153.2°	179.7°
B33	C32	C36	H15	0.2°	0.1°
C32	B33	O35	H22	180.0°	179.7°
C32	B33	O34	H13	32.1°	5.3°
O38	C39	H16	H17	120.0°	120.0°
O38	C39	H16	H18	120.0°	120.0°
O38	C39	H17	H18	120.0°	119.9°
O34	B33	O35	H22	26.0°	0.0°
O35	B33	O34	H13	174.7°	175.0°
H1	C04	H2	H3	120.0°	120.0°
H4	C05	H5	H6	120.0°	119.9°
H10	C16	N15	H21	0.2°	0.1°
H16	C39	H17	H18	120.0°	120.1°

Release date:	2021-06-09
Definition date:	2021-01-13
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	7DT2