P1Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N03	C10	sing	1.47Å	1.39Å
N03	C02	sing	1.47Å	1.38Å
C10	C11	sing	1.53Å	1.54Å
C01	C02	sing	1.53Å	1.55Å
C02	C20	sing	1.53Å	1.55Å
C11	O19	sing	1.43Å	1.39Å
C11	C12	sing	1.51Å	1.58Å
C20	O19	sing	1.43Å	1.41Å
C12	C13	doub	1.38Å	1.40Å	Aromatic
C12	C18	sing	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C18	C16	doub	1.38Å	1.41Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.40Å	Aromatic
C16	CL1	sing	1.74Å	1.80Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C02	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
N03	C1	sing	1.47Å	4.99Å
C1	C2	sing	1.53Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
C3	O1	sing	1.43Å	0.00Å
O1	C5	sing	1.43Å	0.00Å
C2	O2	sing	1.43Å	0.00Å
C1	H14	sing	1.09Å	0.00Å
C1	H15	sing	1.09Å	0.00Å
C2	H16	sing	1.09Å	0.00Å
C3	H17	sing	1.09Å	0.00Å
C3	H18	sing	1.09Å	0.00Å
C5	H19	sing	1.09Å	0.00Å
C5	H20	sing	1.09Å	0.00Å
C5	H21	sing	1.09Å	0.00Å
O2	H22	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N03	C02	110.2°	110.8°
N03	C10	C11	112.0°	109.3°
N03	C10	H1	108.9°	109.5°
N03	C10	H2	108.9°	109.5°
C10	N03	C1	89.6°	111.0°
N03	C02	C01	107.3°	109.5°
N03	C02	C20	111.1°	109.2°
N03	C02	H10	110.8°	109.6°
C02	N03	C1	139.6°	111.0°
C10	C11	O19	113.2°	109.3°
C10	C11	C12	128.9°	109.5°
C11	C10	H1	108.9°	109.5°
C11	C10	H2	108.8°	109.5°
C10	C11	H11	106.7°	109.5°
C01	C02	C20	110.5°	109.5°
C02	C01	H7	109.5°	109.4°
C02	C01	H8	109.4°	109.4°
C02	C01	H9	109.5°	109.4°
C01	C02	H10	108.5°	109.5°
C02	C20	O19	112.8°	109.3°
C02	C20	H5	108.6°	109.5°
C02	C20	H6	108.6°	109.6°
C20	C02	H10	108.6°	109.5°
O19	C11	C12	91.4°	109.5°
C11	O19	C20	111.8°	113.7°
O19	C11	H11	108.6°	109.5°
C11	C12	C13	115.9°	120.0°
C11	C12	C18	124.8°	120.0°
C12	C11	H11	106.4°	109.6°
O19	C20	H5	108.6°	109.5°
O19	C20	H6	108.6°	109.5°
C13	C12	C18	119.3°	120.0°
C12	C13	C14	120.9°	120.1°
C12	C13	H3	119.6°	120.0°
C12	C18	C16	120.0°	120.0°
C12	C18	H13	120.0°	120.0°
C13	C14	C15	119.5°	120.0°
C14	C13	H3	119.5°	120.0°
C13	C14	H12	120.2°	120.0°
C18	C16	C15	119.6°	119.9°
C18	C16	CL1	121.6°	120.0°
C16	C18	H13	120.0°	120.0°
C14	C15	C16	120.6°	120.0°
C14	C15	H4	119.7°	120.0°
C15	C14	H12	120.2°	120.0°
C15	C16	CL1	118.8°	120.1°
C16	C15	H4	119.7°	120.0°
H1	C10	H2	109.5°	109.6°
H5	C20	H6	109.5°	109.5°
H7	C01	H8	109.5°	109.5°
H7	C01	H9	109.4°	109.5°
H8	C01	H9	109.5°	109.5°
N03	C1	C2	90.0°	109.5°
N03	C1	H14	90.0°	109.5°
N03	C1	H15	90.0°	109.4°
C1	C2	C3	90.0°	109.5°
C1	C2	O2	90.0°	109.5°
C2	C1	H14	90.0°	109.5°
C2	C1	H15	90.0°	109.5°
C1	C2	H16	90.0°	109.5°
C2	C3	O1	90.0°	109.5°
C3	C2	O2	90.0°	109.5°
C3	C2	H16	90.0°	109.5°
C2	C3	H17	90.0°	109.5°
C2	C3	H18	90.0°	109.5°
C3	O1	C5	90.0°	114.0°
O1	C3	H17	90.0°	109.4°
O1	C3	H18	90.0°	109.4°
O1	C5	H19	90.0°	109.5°
O1	C5	H20	90.0°	109.5°
O1	C5	H21	90.0°	109.5°
O2	C2	H16	90.0°	109.5°
C2	O2	H22	90.0°	114.0°
H14	C1	H15	90.0°	109.4°
H17	C3	H18	90.0°	109.5°
H19	C5	H20	90.0°	109.4°
H19	C5	H21	90.0°	109.4°
H20	C5	H21	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	N03	C02	C1	114.9°	123.8°
N03	C10	C11	H1	120.4°	119.9°
N03	C10	C11	H2	120.4°	119.9°
C10	N03	C02	C01	178.7°	178.6°
C10	N03	C02	C20	57.9°	58.7°
N03	C10	C11	O19	53.2°	56.8°
N03	C10	C11	C12	165.4°	176.8°
N03	C10	H1	H2	118.9°	120.1°
C10	N03	C02	H10	63.0°	61.3°
N03	C10	C11	H11	66.2°	63.0°
C10	N03	C1	C2	90.0°	76.9°
C10	N03	C1	H14	90.0°	163.1°
C10	N03	C1	H15	90.0°	43.1°
C02	N03	C10	C11	57.3°	58.6°
N03	C02	C01	C20	121.3°	119.7°
N03	C02	C01	H10	119.8°	120.2°
N03	C02	C20	H10	122.1°	120.0°
N03	C02	C20	O19	54.6°	56.9°
C02	N03	C10	H1	177.7°	61.3°
C02	N03	C10	H2	63.1°	178.6°
N03	C02	C20	H5	175.1°	176.8°
N03	C02	C20	H6	65.9°	63.1°
N03	C02	C01	H7	180.0°	179.8°
N03	C02	C01	H8	60.0°	60.2°
N03	C02	C01	H9	60.0°	59.8°
C02	N03	C1	C2	90.0°	159.5°
C02	N03	C1	H14	90.0°	39.4°
C02	N03	C1	H15	90.0°	80.5°
C10	C11	O19	C12	133.9°	120.0°
C10	C11	O19	H11	118.3°	119.9°
C10	C11	C12	H11	128.4°	120.1°
C10	C11	O19	C20	48.5°	58.6°
C10	C11	C12	C13	83.1°	95.0°
C10	C11	C12	C18	95.0°	85.0°
C11	C10	H1	H2	118.8°	120.1°
C11	C10	N03	C1	158.7°	177.6°
C01	C02	C20	H10	118.9°	120.1°
C01	C02	C20	O19	173.6°	176.8°
C01	C02	C20	H5	66.0°	63.3°
C01	C02	C20	H6	53.1°	56.8°
C02	C01	H7	H8	120.0°	120.0°
C02	C01	H7	H9	120.0°	120.0°
C02	C01	H8	H9	120.0°	120.0°
C01	C02	N03	C1	66.4°	57.7°
C02	C20	O19	C11	49.3°	58.7°
C02	C20	O19	H5	120.5°	119.9°
C02	C20	O19	H6	120.5°	120.0°
C02	C20	H5	H6	118.5°	120.2°
C20	C02	C01	H7	58.7°	60.0°
C20	C02	C01	H8	178.7°	180.0°
C20	C02	C01	H9	61.3°	60.0°
C20	C02	N03	C1	172.8°	177.6°
O19	C11	C12	H11	109.9°	120.1°
O19	C11	C12	C13	155.2°	145.2°
O19	C11	C12	C18	26.7°	34.8°
O19	C11	C10	H1	173.5°	63.1°
O19	C11	C10	H2	67.2°	176.8°
C11	O19	C20	H5	169.8°	178.6°
C11	O19	C20	H6	71.2°	61.4°
C12	C11	O19	C20	177.6°	178.6°
C11	C12	C13	C18	178.2°	179.9°
C11	C12	C13	C14	179.1°	180.0°
C11	C12	C18	C16	179.1°	180.0°
C12	C11	C10	H1	74.2°	56.9°
C12	C11	C10	H2	45.1°	63.3°
C11	C12	C13	H3	0.9°	0.2°
C11	C12	C18	H13	0.9°	0.0°
O19	C20	H5	H6	118.5°	120.0°
O19	C20	C02	H10	67.5°	63.1°
C20	O19	C11	H11	69.8°	61.3°
C12	C13	C14	H3	180.0°	179.8°
C13	C12	C18	C16	1.0°	0.0°
C12	C13	C14	C15	0.2°	0.2°
C13	C12	C11	H11	45.4°	25.1°
C12	C13	C14	H12	179.8°	179.7°
C13	C12	C18	H13	179.0°	179.9°
C18	C12	C13	C14	0.9°	0.1°
C12	C18	C16	H13	180.0°	180.0°
C12	C18	C16	C15	0.5°	0.3°
C12	C18	C16	CL1	179.8°	179.7°
C18	C12	C13	H3	179.1°	179.7°
C18	C12	C11	H11	136.5°	154.9°
C13	C14	C15	H12	180.0°	179.9°
C13	C14	C15	C16	0.3°	0.5°
C13	C14	C15	H4	179.7°	179.9°
C18	C16	C15	C14	0.2°	0.6°
C18	C16	C15	CL1	179.7°	180.0°
C18	C16	C15	H4	179.8°	180.0°
C14	C15	C16	H4	180.0°	179.4°
C14	C15	C16	CL1	179.5°	179.4°
C15	C14	C13	H3	179.8°	180.0°
C16	C15	C14	H12	179.7°	179.4°
C15	C16	C18	H13	179.5°	179.7°
CL1	C16	C15	H4	0.4°	0.0°
CL1	C16	C18	H13	0.2°	0.3°
H1	C10	C11	H11	54.2°	177.0°
H1	C10	N03	C1	38.3°	62.5°
H2	C10	C11	H11	173.4°	56.9°
H2	C10	N03	C1	80.9°	57.7°
H3	C13	C14	H12	0.3°	0.1°
H4	C15	C14	H12	0.3°	0.0°
H5	C20	C02	H10	52.9°	56.8°
H6	C20	C02	H10	172.0°	176.9°
H7	C01	H8	H9	120.0°	120.1°
H7	C01	C02	H10	60.2°	60.1°
H8	C01	C02	H10	59.8°	59.9°
H9	C01	C02	H10	179.8°	179.9°
H10	C02	N03	C1	51.9°	62.5°
N03	C1	C2	H14	90.0°	120.1°
N03	C1	C2	H15	90.0°	120.0°
N03	C1	C2	C3	90.0°	173.7°
N03	C1	C2	O2	90.0°	66.3°
N03	C1	H14	H15	90.0°	119.9°
N03	C1	C2	H16	90.0°	53.7°
C1	C2	C3	O2	90.0°	120.0°
C1	C2	C3	H16	90.0°	120.0°
C1	C2	C3	O1	90.0°	175.0°
C1	C2	O2	H16	90.0°	120.0°
C2	C1	H14	H15	90.0°	120.0°
C1	C2	C3	H17	90.0°	55.0°
C1	C2	C3	H18	90.0°	65.0°
C1	C2	O2	H22	90.0°	60.0°
C2	C3	O1	H17	90.0°	120.0°
C2	C3	O1	H18	90.0°	120.0°
C2	C3	O1	C5	90.0°	180.0°
C3	C2	O2	H16	90.0°	120.0°
C3	C2	C1	H14	90.0°	53.6°
C3	C2	C1	H15	90.0°	66.4°
C2	C3	H17	H18	90.0°	120.1°
C3	C2	O2	H22	90.0°	60.0°
O1	C3	C2	O2	90.0°	65.0°
O1	C3	C2	H16	90.0°	55.0°
O1	C3	H17	H18	90.0°	120.0°
C3	O1	C5	H19	90.0°	60.0°
C3	O1	C5	H20	90.0°	60.0°
C3	O1	C5	H21	90.0°	180.0°
C5	O1	C3	H17	90.0°	60.0°
C5	O1	C3	H18	90.0°	60.0°
O1	C5	H19	H20	90.0°	120.0°
O1	C5	H19	H21	90.0°	120.0°
O1	C5	H20	H21	90.0°	120.1°
O2	C2	C1	H14	90.0°	173.6°
O2	C2	C1	H15	90.0°	53.6°
O2	C2	C3	H17	90.0°	175.0°
O2	C2	C3	H18	90.0°	55.0°
H14	C1	C2	H16	90.0°	66.4°
H15	C1	C2	H16	90.0°	173.6°
H16	C2	C3	H17	90.0°	65.0°
H16	C2	C3	H18	90.0°	175.0°
H16	C2	O2	H22	90.0°	180.0°
H19	C5	H20	H21	90.0°	119.9°

Release date:	2020-07-15
Definition date:	2020-04-14
Last modified:	2020-07-10
Release status:	REL
Processing site:	PDBE
Derived from:	6YNM