OQR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	N2	doub	1.22Å	1.53Å
O1	N2	sing	1.22Å	1.42Å
N2	C3	sing	1.48Å	1.34Å
C10	C2	sing	1.51Å	1.41Å
C10	O3	sing	1.43Å	1.44Å
C3	C2	doub	1.38Å	1.41Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.40Å	Aromatic
C4	C5	doub	1.39Å	1.38Å	Aromatic
C1	C6	doub	1.38Å	1.41Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C5	N1	sing	1.40Å	1.41Å
C6	C9	sing	1.51Å	1.40Å
N1	C7	sing	1.47Å	1.48Å
C9	C8	sing	1.53Å	1.53Å
C7	C11	sing	1.53Å	1.51Å
C7	C8	sing	1.54Å	1.51Å
N3	C11	sing	1.47Å	1.46Å
N3	C14	sing	1.47Å	1.47Å
C13	C14	sing	1.53Å	1.54Å
C14	C12	sing	1.53Å	1.53Å
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.09Å	1.10Å
C9	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å
C4	H9	sing	1.08Å	1.08Å
N1	H10	sing	0.97Å	1.00Å
C7	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
N3	H14	sing	1.01Å	1.00Å
C14	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C13	H21	sing	1.09Å	1.10Å
C13	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	N2	O1	121.4°	120.0°
O2	N2	C3	123.2°	120.0°
O1	N2	C3	115.0°	120.0°
N2	C3	C2	123.0°	120.1°
N2	C3	C4	115.4°	120.0°
C2	C10	O3	112.6°	109.5°
C10	C2	C3	123.4°	119.9°
C10	C2	C1	119.8°	119.9°
C2	C10	H6	108.7°	109.4°
C2	C10	H7	108.7°	109.5°
O3	C10	H6	108.7°	109.5°
O3	C10	H7	108.7°	109.5°
C10	O3	H8	109.5°	114.0°
C2	C3	C4	121.5°	119.9°
C3	C2	C1	116.8°	120.2°
C3	C4	C5	121.0°	120.0°
C3	C4	H9	119.5°	120.0°
C2	C1	C6	121.6°	120.3°
C2	C1	H5	119.2°	119.8°
C4	C5	C6	119.0°	120.0°
C4	C5	N1	119.2°	119.1°
C5	C4	H9	119.5°	120.0°
C1	C6	C5	120.0°	119.6°
C1	C6	C9	120.7°	118.9°
C6	C1	H5	119.2°	119.9°
C6	C5	N1	121.8°	120.8°
C5	C6	C9	119.2°	121.5°
C5	N1	C7	120.1°	119.0°
C5	N1	H10	106.7°	120.5°
C6	C9	C8	111.1°	110.5°
C6	C9	H3	109.0°	109.3°
C6	C9	H4	109.1°	109.1°
N1	C7	C11	110.7°	109.8°
N1	C7	C8	109.9°	107.7°
C7	N1	H10	106.7°	120.5°
N1	C7	H11	109.7°	109.8°
C9	C8	C7	109.8°	108.9°
C9	C8	H1	109.4°	109.5°
C9	C8	H2	109.4°	109.6°
C8	C9	H3	109.1°	109.3°
C8	C9	H4	109.1°	109.3°
C11	C7	C8	107.8°	109.9°
C7	C11	N3	111.8°	109.4°
C11	C7	H11	109.3°	109.8°
C7	C11	H12	108.9°	109.5°
C7	C11	H13	108.9°	109.4°
C7	C8	H1	109.4°	109.5°
C7	C8	H2	109.4°	109.6°
C8	C7	H11	109.4°	109.8°
C11	N3	C14	106.3°	111.0°
N3	C11	H12	108.9°	109.5°
N3	C11	H13	108.9°	109.5°
C11	N3	H14	110.2°	111.0°
N3	C14	C13	111.0°	109.4°
N3	C14	C12	111.0°	109.5°
C14	N3	H14	110.3°	111.0°
N3	C14	H16	108.5°	109.5°
C13	C14	C12	110.9°	109.5°
C13	C14	H16	107.7°	109.5°
C14	C13	H20	109.5°	109.5°
C14	C13	H21	109.5°	109.4°
C14	C13	H22	109.5°	109.5°
C12	C14	H16	107.7°	109.5°
C14	C12	H17	109.5°	109.5°
C14	C12	H18	109.5°	109.5°
C14	C12	H19	109.5°	109.5°
H1	C8	H2	109.5°	109.6°
H3	C9	H4	109.5°	109.3°
H6	C10	H7	109.5°	109.5°
H12	C11	H13	109.4°	109.5°
H17	C12	H18	109.4°	109.5°
H17	C12	H19	109.4°	109.4°
H18	C12	H19	109.5°	109.5°
H20	C13	H21	109.4°	109.4°
H20	C13	H22	109.5°	109.5°
H21	C13	H22	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	N2	O1	C3	173.4°	180.0°
O2	N2	C3	C2	31.8°	0.0°
O2	N2	C3	C4	148.9°	180.0°
O1	N2	C3	C2	154.9°	180.0°
O1	N2	C3	C4	24.4°	0.0°
N2	C3	C2	C10	0.2°	0.0°
N2	C3	C2	C4	179.2°	180.0°
N2	C3	C2	C1	179.7°	180.0°
N2	C3	C4	C5	179.9°	180.0°
N2	C3	C4	H9	0.1°	0.1°
C2	C10	O3	H6	120.4°	120.0°
C2	C10	O3	H7	120.5°	120.0°
C10	C2	C3	C1	179.5°	180.0°
C10	C2	C3	C4	179.0°	179.9°
C10	C2	C1	C6	179.7°	180.0°
C10	C2	C1	H5	0.3°	0.0°
C2	C10	H6	H7	118.6°	120.0°
C2	C10	O3	H8	180.0°	180.0°
O3	C10	C2	C3	162.1°	180.0°
O3	C10	C2	C1	18.4°	0.0°
O3	C10	H6	H7	118.6°	120.0°
C2	C3	C4	C5	0.6°	0.0°
C3	C2	C1	C6	0.2°	0.0°
C3	C2	C1	H5	179.8°	180.0°
C3	C2	C10	H6	77.4°	60.0°
C3	C2	C10	H7	41.6°	60.0°
C2	C3	C4	H9	179.3°	179.9°
C4	C3	C2	C1	0.5°	0.0°
C3	C4	C5	H9	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	N1	178.7°	179.6°
C2	C1	C6	H5	180.0°	180.0°
C2	C1	C6	C5	0.7°	0.1°
C2	C1	C6	C9	180.0°	179.8°
C1	C2	C10	H6	102.0°	120.0°
C1	C2	C10	H7	138.9°	120.0°
C4	C5	C6	C1	0.6°	0.1°
C4	C5	C6	N1	178.8°	179.7°
C4	C5	C6	C9	179.9°	179.8°
C4	C5	N1	C7	172.9°	166.8°
C4	C5	N1	H10	51.4°	13.3°
C1	C6	C5	C9	179.3°	179.9°
C1	C6	C5	N1	179.4°	179.6°
C1	C6	C9	C8	146.7°	159.4°
C1	C6	C9	H3	93.0°	80.3°
C1	C6	C9	H4	26.5°	39.2°
C6	C5	N1	C7	5.9°	13.5°
C5	C6	C9	C8	34.0°	20.6°
C5	C6	C9	H3	86.3°	99.6°
C5	C6	C9	H4	154.2°	140.8°
C5	C6	C1	H5	179.2°	179.9°
C6	C5	C4	H9	179.9°	179.9°
C6	C5	N1	H10	127.4°	166.4°
N1	C5	C6	C9	1.3°	0.5°
C5	N1	C7	H10	121.5°	179.9°
C5	N1	C7	C11	98.1°	164.2°
C5	N1	C7	C8	20.9°	44.6°
N1	C5	C4	H9	1.3°	0.4°
C5	N1	C7	H11	141.2°	75.0°
C6	C9	C8	H3	120.2°	120.3°
C6	C9	C8	H4	120.2°	120.1°
C6	C9	C8	C7	60.0°	51.4°
C6	C9	C8	H1	179.9°	68.4°
C6	C9	C8	H2	60.0°	171.3°
C6	C9	H3	H4	119.2°	119.4°
C9	C6	C1	H5	0.1°	0.2°
N1	C7	C8	C9	51.9°	63.1°
N1	C7	C11	C8	120.3°	118.2°
N1	C7	C11	H11	120.9°	120.9°
N1	C7	C8	H11	120.5°	119.5°
N1	C7	C11	N3	74.0°	55.0°
N1	C7	C8	H1	172.0°	56.7°
N1	C7	C8	H2	68.1°	176.9°
N1	C7	C11	H12	46.4°	65.0°
N1	C7	C11	H13	165.7°	175.0°
C9	C8	C7	C11	68.9°	177.3°
C9	C8	C7	H1	120.1°	119.8°
C9	C8	C7	H2	120.0°	119.9°
C9	C8	H1	H2	119.8°	120.3°
C8	C9	H3	H4	119.3°	119.5°
C9	C8	C7	H11	172.4°	56.4°
C11	C7	C8	H11	118.7°	120.9°
C7	C11	N3	H12	120.4°	120.0°
C7	C11	N3	H13	120.4°	119.9°
C7	C11	N3	C14	119.7°	180.0°
C11	C7	C8	H1	51.2°	62.9°
C11	C7	C8	H2	171.1°	57.4°
C11	C7	N1	H10	140.4°	15.7°
C7	C11	H12	H13	119.0°	120.0°
C7	C11	N3	H14	0.2°	56.0°
C8	C7	C11	N3	165.7°	173.3°
C7	C8	H1	H2	119.9°	120.3°
C7	C8	C9	H3	60.2°	69.0°
C7	C8	C9	H4	179.7°	171.5°
C8	C7	N1	H10	100.6°	135.3°
C8	C7	C11	H12	73.9°	53.2°
C8	C7	C11	H13	45.4°	66.8°
C11	N3	C14	H14	119.5°	124.0°
C11	N3	C14	C13	171.5°	155.0°
C11	N3	C14	C12	47.7°	85.0°
N3	C11	C7	H11	47.0°	65.8°
N3	C11	H12	H13	118.9°	120.0°
C11	N3	C14	H16	70.4°	35.0°
N3	C14	C13	C12	123.8°	120.0°
N3	C14	C13	H16	118.6°	120.0°
N3	C14	C12	H16	118.6°	120.0°
C14	N3	C11	H12	120.0°	60.0°
C14	N3	C11	H13	0.7°	60.0°
N3	C14	C12	H17	180.0°	180.0°
N3	C14	C12	H18	60.0°	60.0°
N3	C14	C12	H19	60.0°	60.0°
N3	C14	C13	H20	180.0°	60.1°
N3	C14	C13	H21	60.0°	180.0°
N3	C14	C13	H22	60.0°	60.0°
C13	C14	C12	H16	117.6°	120.0°
C13	C14	N3	H14	69.0°	81.0°
C13	C14	C12	H17	56.1°	60.0°
C13	C14	C12	H18	63.8°	180.0°
C13	C14	C12	H19	176.1°	60.0°
C14	C13	H20	H21	120.0°	119.9°
C14	C13	H20	H22	120.0°	120.1°
C14	C13	H21	H22	120.0°	120.0°
C12	C14	N3	H14	167.2°	39.0°
C14	C12	H17	H18	120.0°	120.0°
C14	C12	H17	H19	120.0°	120.0°
C14	C12	H18	H19	120.0°	120.0°
C12	C14	C13	H20	56.2°	180.0°
C12	C14	C13	H21	176.2°	60.0°
C12	C14	C13	H22	63.8°	60.0°
H1	C8	C9	H3	59.9°	171.2°
H1	C8	C9	H4	59.7°	51.7°
H1	C8	C7	H11	67.5°	176.2°
H2	C8	C9	H3	179.7°	51.0°
H2	C8	C9	H4	60.2°	68.6°
H2	C8	C7	H11	52.4°	63.5°
H6	C10	O3	H8	59.5°	60.0°
H7	C10	O3	H8	59.5°	60.0°
H10	N1	C7	H11	19.7°	105.1°
H11	C7	C11	H12	167.3°	174.1°
H11	C7	C11	H13	73.4°	54.1°
H12	C11	N3	H14	120.5°	176.1°
H13	C11	N3	H14	120.2°	63.9°
H14	N3	C14	H16	49.1°	159.0°
H16	C14	C12	H17	61.4°	60.0°
H16	C14	C12	H18	178.6°	60.0°
H16	C14	C12	H19	58.6°	180.0°
H16	C14	C13	H20	61.4°	59.9°
H16	C14	C13	H21	58.6°	60.0°
H16	C14	C13	H22	178.6°	180.0°
H17	C12	H18	H19	120.0°	120.0°
H20	C13	H21	H22	120.0°	120.0°

Release date:	2015-09-30
Definition date:	2015-06-11
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5BYJ