X5M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C05	C04	sing	0.00Å	1.52Å
C01	C02	sing	0.00Å	1.54Å
C02	N03	sing	0.00Å	1.46Å
C04	N03	sing	0.00Å	1.44Å
N03	C06	sing	0.00Å	1.45Å
O13	N12	sing	0.00Å	1.42Å
C06	C07	doub	0.00Å	1.38Å	Aromatic
C06	C11	sing	0.00Å	1.39Å	Aromatic
C07	C08	sing	0.00Å	1.41Å	Aromatic
N12	C11	sing	0.00Å	1.44Å
N12	O14	doub	0.00Å	1.19Å
C11	C10	doub	0.00Å	1.38Å	Aromatic
C08	C09	doub	0.00Å	1.39Å	Aromatic
C10	C09	sing	0.00Å	1.37Å	Aromatic
C09	C15	sing	0.00Å	1.52Å
C22	C21	sing	0.00Å	1.53Å
C15	C21	sing	0.00Å	1.48Å
C15	N16	doub	0.00Å	1.43Å
C21	C20	sing	0.00Å	1.48Å
N16	N17	sing	0.00Å	1.46Å
C20	C18	sing	0.00Å	1.53Å
N17	C18	sing	0.00Å	1.49Å
C18	O19	doub	0.00Å	1.17Å
C01	H1	sing	0.00Å	1.10Å
C01	H2	sing	0.00Å	1.10Å
C01	H3	sing	0.00Å	1.10Å
C02	H4	sing	0.00Å	1.10Å
C02	H5	sing	0.00Å	1.10Å
C04	H6	sing	0.00Å	1.10Å
C04	H7	sing	0.00Å	1.10Å
C05	H8	sing	0.00Å	1.10Å
C05	H9	sing	0.00Å	1.10Å
C05	H10	sing	0.00Å	1.10Å
C07	H11	sing	0.00Å	1.08Å
C08	H12	sing	0.00Å	1.08Å
C10	H13	sing	0.00Å	1.08Å
C20	H15	sing	0.00Å	1.10Å
C20	H16	sing	0.00Å	1.10Å
C21	H17	sing	0.00Å	1.10Å
C22	H18	sing	0.00Å	1.10Å
C22	H19	sing	0.00Å	1.10Å
C22	H20	sing	0.00Å	1.10Å
N17	H14	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C05	C04	N03	111.8°	90.0°
C05	C04	H6	108.9°	90.0°
C05	C04	H7	108.9°	90.0°
C04	C05	H8	109.5°	90.0°
C04	C05	H9	109.5°	90.0°
C04	C05	H10	109.5°	90.0°
C01	C02	N03	119.3°	90.0°
C02	C01	H1	109.5°	90.0°
C02	C01	H2	109.5°	90.0°
C02	C01	H3	109.5°	90.0°
C01	C02	H4	107.0°	90.0°
C01	C02	H5	107.0°	90.0°
C02	N03	C04	121.1°	90.0°
C02	N03	C06	120.7°	90.0°
N03	C02	H4	107.0°	90.0°
N03	C02	H5	107.0°	90.0°
C04	N03	C06	118.1°	90.0°
N03	C04	H6	108.9°	90.0°
N03	C04	H7	108.9°	90.0°
N03	C06	C07	117.6°	90.0°
N03	C06	C11	122.9°	90.0°
O13	N12	C11	118.5°	90.0°
O13	N12	O14	120.9°	90.0°
C07	C06	C11	119.5°	90.0°
C06	C07	C08	119.0°	90.0°
C06	C07	H11	120.5°	90.0°
C06	C11	N12	122.5°	90.0°
C06	C11	C10	121.4°	90.0°
C07	C08	C09	120.3°	90.0°
C08	C07	H11	120.5°	90.0°
C07	C08	H12	119.8°	90.0°
C11	N12	O14	120.5°	90.0°
N12	C11	C10	116.2°	90.0°
C11	C10	C09	119.5°	90.0°
C11	C10	H13	120.3°	90.0°
C08	C09	C10	120.4°	90.0°
C08	C09	C15	123.7°	90.0°
C09	C08	H12	119.9°	90.0°
C10	C09	C15	115.8°	90.0°
C09	C10	H13	120.3°	90.0°
C09	C15	C21	118.7°	90.0°
C09	C15	N16	114.2°	90.0°
C22	C21	C15	106.1°	90.0°
C22	C21	C20	110.8°	90.0°
C22	C21	H17	107.8°	90.0°
C21	C22	H18	109.5°	90.0°
C21	C22	H19	109.5°	90.0°
C21	C22	H20	109.5°	90.0°
C21	C15	N16	117.7°	90.0°
C15	C21	C20	115.0°	90.0°
C15	C21	H17	108.5°	90.0°
C15	N16	N17	118.2°	90.0°
C21	C20	C18	114.2°	90.0°
C21	C20	H15	108.3°	90.0°
C21	C20	H16	108.3°	90.0°
C20	C21	H17	108.4°	90.0°
N16	N17	C18	122.7°	90.0°
N16	N17	H14	118.6°	90.0°
C20	C18	N17	115.5°	90.0°
C20	C18	O19	123.3°	90.0°
C18	C20	H15	108.3°	90.0°
C18	C20	H16	108.3°	90.0°
N17	C18	O19	121.1°	90.0°
C18	N17	H14	118.6°	90.0°
H1	C01	H2	109.5°	90.0°
H1	C01	H3	109.5°	90.0°
H2	C01	H3	109.5°	90.0°
H4	C02	H5	109.5°	90.0°
H6	C04	H7	109.5°	90.0°
H8	C05	H9	109.5°	90.0°
H8	C05	H10	109.5°	90.0°
H9	C05	H10	109.5°	90.0°
H15	C20	H16	109.5°	90.0°
H18	C22	H19	109.4°	90.0°
H18	C22	H20	109.5°	90.0°
H19	C22	H20	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C05	C04	N03	C02	65.1°	90.0°
C05	C04	N03	H6	120.4°	90.0°
C05	C04	N03	H7	120.4°	90.0°
C05	C04	N03	C06	111.1°	90.0°
C05	C04	H6	H7	118.9°	90.0°
C04	C05	H8	H9	120.0°	90.0°
C04	C05	H8	H10	120.0°	90.0°
C04	C05	H9	H10	120.0°	90.0°
C01	C02	N03	H4	121.4°	90.0°
C01	C02	N03	H5	121.4°	90.0°
C01	C02	N03	C04	91.1°	90.0°
C01	C02	N03	C06	92.8°	90.0°
C02	C01	H1	H2	120.0°	90.0°
C02	C01	H1	H3	120.0°	90.0°
C02	C01	H2	H3	120.0°	90.0°
C01	C02	H4	H5	115.6°	90.0°
C02	N03	C04	C06	176.2°	90.0°
C02	N03	C06	C07	105.2°	90.0°
C02	N03	C06	C11	75.3°	90.0°
N03	C02	C01	H1	180.0°	90.0°
N03	C02	C01	H2	60.0°	90.0°
N03	C02	C01	H3	60.0°	90.0°
N03	C02	H4	H5	115.5°	90.0°
C02	N03	C04	H6	174.5°	90.0°
C02	N03	C04	H7	55.2°	90.0°
C04	N03	C06	C07	71.0°	90.0°
C04	N03	C06	C11	108.5°	90.0°
C04	N03	C02	H4	147.5°	90.0°
C04	N03	C02	H5	30.3°	90.0°
N03	C04	H6	H7	118.9°	90.0°
N03	C04	C05	H8	180.0°	90.0°
N03	C04	C05	H9	60.0°	90.0°
N03	C04	C05	H10	60.0°	90.0°
N03	C06	C07	C11	179.5°	90.0°
N03	C06	C07	C08	179.6°	90.0°
N03	C06	C11	N12	1.4°	90.0°
N03	C06	C11	C10	179.4°	90.0°
C06	N03	C02	H4	28.6°	90.0°
C06	N03	C02	H5	145.8°	90.0°
C06	N03	C04	H6	9.3°	90.0°
C06	N03	C04	H7	128.6°	90.0°
N03	C06	C07	H11	0.4°	90.0°
O13	N12	C11	C06	28.5°	90.0°
O13	N12	C11	O14	177.2°	90.0°
O13	N12	C11	C10	150.7°	90.0°
C06	C07	C08	H11	180.0°	90.0°
C07	C06	C11	N12	178.1°	90.0°
C07	C06	C11	C10	1.1°	90.0°
C06	C07	C08	C09	0.1°	90.0°
C06	C07	C08	H12	179.9°	90.0°
C11	C06	C07	C08	0.9°	90.0°
C06	C11	N12	C10	179.2°	90.0°
C06	C11	N12	O14	154.3°	90.0°
C06	C11	C10	C09	0.2°	90.0°
C11	C06	C07	H11	179.1°	90.0°
C06	C11	C10	H13	179.7°	90.0°
C07	C08	C09	H12	180.0°	90.0°
C07	C08	C09	C10	0.9°	90.0°
C07	C08	C09	C15	179.3°	90.0°
N12	C11	C10	C09	179.0°	90.0°
N12	C11	C10	H13	1.1°	90.0°
O14	N12	C11	C10	26.5°	90.0°
C11	C10	C09	C08	0.8°	90.0°
C11	C10	C09	H13	180.0°	90.0°
C11	C10	C09	C15	179.3°	90.0°
C08	C09	C10	C15	178.5°	90.0°
C08	C09	C15	C21	16.2°	90.0°
C08	C09	C15	N16	162.0°	90.0°
C09	C08	C07	H11	179.9°	90.0°
C08	C09	C10	H13	179.2°	90.0°
C10	C09	C15	C21	165.4°	90.0°
C10	C09	C15	N16	19.5°	90.0°
C10	C09	C08	H12	179.1°	90.0°
C09	C15	C21	C22	66.0°	90.0°
C09	C15	C21	N16	144.7°	90.0°
C09	C15	C21	C20	171.1°	90.0°
C09	C15	N16	N17	164.4°	90.0°
C15	C09	C08	H12	0.7°	90.0°
C15	C09	C10	H13	0.7°	90.0°
C09	C15	C21	H17	49.6°	90.0°
C22	C21	C15	C20	122.9°	90.0°
C22	C21	C15	H17	115.5°	90.0°
C22	C21	C15	N16	78.7°	90.0°
C22	C21	C20	H17	118.1°	90.0°
C22	C21	C20	C18	73.6°	90.0°
C22	C21	C20	H15	47.1°	90.0°
C22	C21	C20	H16	165.7°	90.0°
C21	C22	H18	H19	120.0°	90.0°
C21	C22	H18	H20	120.0°	90.0°
C21	C22	H19	H20	120.0°	90.0°
C15	C21	C20	H17	121.6°	90.0°
C21	C15	N16	N17	18.1°	90.0°
C15	C21	C20	C18	46.7°	90.0°
C15	C21	C20	H15	167.4°	90.0°
C15	C21	C20	H16	74.0°	90.0°
C15	C21	C22	H18	180.0°	90.0°
C15	C21	C22	H19	60.0°	90.0°
C15	C21	C22	H20	60.0°	90.0°
N16	C15	C21	C20	44.2°	90.0°
C15	N16	N17	C18	3.9°	90.0°
N16	C15	C21	H17	165.7°	90.0°
C15	N16	N17	H14	176.1°	90.0°
C21	C20	C18	H15	120.7°	90.0°
C21	C20	C18	H16	120.7°	90.0°
C21	C20	C18	N17	24.8°	90.0°
C21	C20	C18	O19	154.6°	90.0°
C21	C20	H15	H16	117.9°	90.0°
C20	C21	C22	H18	54.5°	90.0°
C20	C21	C22	H19	65.5°	90.0°
C20	C21	C22	H20	174.5°	90.0°
N16	N17	C18	C20	0.1°	90.0°
N16	N17	C18	H14	180.0°	90.0°
N16	N17	C18	O19	179.5°	90.0°
C20	C18	N17	O19	179.4°	90.0°
C18	C20	H15	H16	117.9°	90.0°
C18	C20	C21	H17	168.3°	90.0°
C20	C18	N17	H14	179.9°	90.0°
N17	C18	C20	H15	145.5°	90.0°
N17	C18	C20	H16	95.9°	90.0°
O19	C18	C20	H15	33.9°	90.0°
O19	C18	C20	H16	84.7°	90.0°
O19	C18	N17	H14	0.5°	90.0°
H1	C01	H2	H3	120.0°	90.0°
H1	C01	C02	H4	58.6°	90.0°
H1	C01	C02	H5	58.6°	90.0°
H2	C01	C02	H4	61.4°	90.0°
H2	C01	C02	H5	178.6°	90.0°
H3	C01	C02	H4	178.6°	90.0°
H3	C01	C02	H5	61.4°	90.0°
H6	C04	C05	H8	59.7°	90.0°
H6	C04	C05	H9	60.4°	90.0°
H6	C04	C05	H10	179.7°	90.0°
H7	C04	C05	H8	59.7°	90.0°
H7	C04	C05	H9	179.7°	90.0°
H7	C04	C05	H10	60.3°	90.0°
H8	C05	H9	H10	120.0°	90.0°
H11	C07	C08	H12	0.1°	90.0°
H15	C20	C21	H17	71.0°	90.0°
H16	C20	C21	H17	47.6°	90.0°
H17	C21	C22	H18	64.0°	90.0°
H17	C21	C22	H19	176.0°	90.0°
H17	C21	C22	H20	56.0°	90.0°
H18	C22	H19	H20	120.0°	90.0°

Release date:	2021-06-09
Definition date:	2020-12-01
Last modified:	2021-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	7KWE