LJJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.29Å	1.40Å	Aromatic
N1	C2	doub	1.30Å	1.28Å	Aromatic
N2	C3	doub	1.31Å	1.30Å	Aromatic
C2	C1	sing	1.51Å	1.47Å
C2	O1	sing	1.35Å	1.36Å	Aromatic
C3	O1	sing	1.35Å	1.36Å	Aromatic
C3	N3	sing	1.38Å	1.40Å
N3	C4	sing	1.46Å	1.47Å
C5	C4	sing	1.51Å	1.53Å
C5	C6	sing	1.54Å	1.51Å
C4	C10	sing	1.54Å	1.53Å
C6	C7	sing	1.54Å	1.51Å
C10	C9	sing	1.46Å	1.52Å
C7	C8	sing	1.50Å	1.51Å
C8	C9	sing	1.54Å	1.51Å
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C2	107.5°	109.6°
N1	N2	C3	106.5°	109.3°
N1	C2	C1	130.0°	126.2°
N1	C2	O1	110.8°	107.6°
N2	C3	O1	110.5°	107.2°
N2	C3	N3	127.2°	126.4°
C1	C2	O1	119.2°	126.2°
C2	C1	H13	109.5°	109.5°
C2	C1	H14	109.5°	109.5°
C2	C1	H15	109.5°	109.5°
C2	O1	C3	104.8°	106.3°
O1	C3	N3	122.4°	126.4°
C3	N3	C4	122.2°	120.0°
C3	N3	H1	106.2°	120.0°
N3	C4	C5	109.0°	109.6°
N3	C4	C10	109.4°	109.6°
C4	N3	H1	106.2°	120.0°
N3	C4	H2	108.6°	109.6°
C4	C5	C6	115.0°	112.5°
C5	C4	C10	114.0°	108.5°
C5	C4	H2	107.8°	109.8°
C4	C5	H3	108.1°	108.9°
C4	C5	H4	108.1°	108.9°
C5	C6	C7	115.7°	112.9°
C6	C5	H3	108.0°	108.9°
C6	C5	H4	108.1°	108.9°
C5	C6	H5	107.9°	108.8°
C5	C6	H6	107.9°	108.8°
C4	C10	C9	114.9°	112.4°
C10	C4	H2	107.8°	109.6°
C4	C10	H11	108.1°	108.9°
C4	C10	H12	108.1°	108.9°
C6	C7	C8	114.7°	112.5°
C7	C6	H5	107.9°	108.8°
C7	C6	H6	107.9°	108.8°
C6	C7	H7	108.2°	108.9°
C6	C7	H8	108.1°	108.9°
C10	C9	C8	116.0°	112.4°
C9	C10	H11	108.1°	108.9°
C9	C10	H12	108.1°	108.9°
C10	C9	H16	107.8°	108.9°
C10	C9	H17	107.8°	108.9°
C7	C8	C9	114.0°	108.6°
C8	C7	H7	108.1°	108.8°
C8	C7	H8	108.2°	108.8°
C7	C8	H9	108.3°	109.7°
C7	C8	H10	108.3°	109.6°
C9	C8	H9	108.3°	109.6°
C9	C8	H10	108.3°	109.6°
C8	C9	H16	107.8°	108.9°
C8	C9	H17	107.8°	108.9°
H3	C5	H4	109.5°	108.8°
H5	C6	H6	109.4°	108.7°
H7	C7	H8	109.4°	108.8°
H9	C8	H10	109.5°	109.7°
H11	C10	H12	109.5°	108.7°
H13	C1	H14	109.5°	109.5°
H13	C1	H15	109.5°	109.4°
H14	C1	H15	109.4°	109.5°
H16	C9	H17	109.5°	108.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N1	C2	C1	179.3°	180.0°
N2	N1	C2	O1	0.2°	0.0°
N1	N2	C3	O1	0.1°	0.0°
N1	N2	C3	N3	179.6°	180.0°
C2	N1	N2	C3	0.1°	0.0°
N1	C2	C1	O1	179.5°	180.0°
N1	C2	O1	C3	0.1°	0.0°
N1	C2	C1	H13	0.0°	89.9°
N1	C2	C1	H14	120.0°	150.0°
N1	C2	C1	H15	120.0°	30.0°
N2	C3	O1	C2	0.0°	0.0°
N2	C3	O1	N3	179.7°	180.0°
N2	C3	N3	C4	142.9°	0.0°
N2	C3	N3	H1	21.1°	179.9°
C1	C2	O1	C3	179.4°	180.0°
C2	C1	H13	H14	120.0°	120.0°
C2	C1	H13	H15	120.0°	119.9°
C2	C1	H14	H15	120.0°	120.0°
C2	O1	C3	N3	179.7°	180.0°
O1	C2	C1	H13	179.5°	90.0°
O1	C2	C1	H14	59.5°	30.0°
O1	C2	C1	H15	60.5°	150.0°
O1	C3	N3	C4	37.5°	180.0°
O1	C3	N3	H1	159.2°	0.1°
C3	N3	C4	H1	121.7°	179.9°
C3	N3	C4	C5	97.7°	85.9°
C3	N3	C4	C10	137.0°	155.0°
C3	N3	C4	H2	19.5°	34.6°
N3	C4	C5	C10	122.6°	119.7°
N3	C4	C5	H2	117.7°	120.5°
N3	C4	C5	C6	166.6°	146.2°
N3	C4	C10	H2	117.9°	120.4°
N3	C4	C10	C9	150.7°	160.3°
N3	C4	C5	H3	45.8°	25.4°
N3	C4	C5	H4	72.6°	93.1°
N3	C4	C10	H11	88.6°	79.0°
N3	C4	C10	H12	29.9°	39.5°
C4	C5	C6	H3	120.8°	120.8°
C4	C5	C6	H4	120.8°	120.7°
C5	C4	C10	H2	119.7°	119.9°
C4	C5	C6	C7	50.0°	41.7°
C5	C4	C10	C9	87.0°	80.0°
C5	C4	N3	H1	24.1°	94.0°
C4	C5	H3	H4	117.5°	118.5°
C4	C5	C6	H5	71.0°	79.2°
C4	C5	C6	H6	170.9°	162.6°
C5	C4	C10	H11	33.8°	40.8°
C5	C4	C10	H12	152.3°	159.2°
C6	C5	C4	C10	70.8°	94.1°
C5	C6	C7	H5	120.9°	120.8°
C5	C6	C7	H6	120.9°	120.9°
C5	C6	C7	C8	69.8°	41.7°
C6	C5	C4	H2	48.9°	25.7°
C6	C5	H3	H4	117.5°	118.5°
C5	C6	H5	H6	117.2°	118.3°
C5	C6	C7	H7	169.4°	79.0°
C5	C6	C7	H8	51.0°	162.5°
C4	C10	C9	H11	120.8°	120.8°
C4	C10	C9	H12	120.8°	120.8°
C4	C10	C9	C8	35.3°	61.9°
C10	C4	N3	H1	101.2°	25.1°
C10	C4	C5	H3	168.4°	145.1°
C10	C4	C5	H4	50.0°	26.6°
C4	C10	H11	H12	117.5°	118.6°
C4	C10	C9	H16	156.2°	58.9°
C4	C10	C9	H17	85.6°	177.3°
C6	C7	C8	H7	120.8°	120.8°
C6	C7	C8	H8	120.8°	120.8°
C6	C7	C8	C9	89.9°	94.1°
C7	C6	C5	H3	170.8°	162.4°
C7	C6	C5	H4	70.8°	79.1°
C7	C6	H5	H6	117.1°	118.4°
C6	C7	H7	H8	117.6°	118.6°
C6	C7	C8	H9	30.8°	146.1°
C6	C7	C8	H10	149.4°	25.6°
C10	C9	C8	C7	42.7°	79.9°
C10	C9	C8	H16	120.9°	120.7°
C10	C9	C8	H17	120.9°	120.8°
C9	C10	C4	H2	32.7°	39.9°
C10	C9	C8	H9	78.0°	160.3°
C10	C9	C8	H10	163.3°	39.8°
C9	C10	H11	H12	117.5°	118.5°
C10	C9	H16	H17	117.0°	118.5°
C7	C8	C9	H9	120.7°	119.8°
C7	C8	C9	H10	120.6°	119.7°
C8	C7	C6	H5	51.1°	162.6°
C8	C7	C6	H6	169.3°	79.2°
C8	C7	H7	H8	117.6°	118.5°
C7	C8	H9	H10	117.9°	120.4°
C7	C8	C9	H16	78.3°	40.8°
C7	C8	C9	H17	163.6°	159.3°
C9	C8	C7	H7	149.3°	26.6°
C9	C8	C7	H8	30.9°	145.1°
C9	C8	H9	H10	118.0°	120.4°
C8	C9	C10	H11	85.5°	58.9°
C8	C9	C10	H12	156.1°	177.3°
C8	C9	H16	H17	117.0°	118.6°
H1	N3	C4	H2	141.3°	145.5°
H2	C4	C5	H3	71.9°	95.1°
H2	C4	C5	H4	169.7°	146.4°
H2	C4	C10	H11	153.5°	160.6°
H2	C4	C10	H12	88.1°	80.9°
H3	C5	C6	H5	49.9°	41.6°
H3	C5	C6	H6	68.3°	76.6°
H4	C5	C6	H5	168.2°	160.1°
H4	C5	C6	H6	50.1°	41.9°
H5	C6	C7	H7	69.7°	41.8°
H5	C6	C7	H8	171.9°	76.7°
H6	C6	C7	H7	48.5°	160.1°
H6	C6	C7	H8	69.9°	41.6°
H7	C7	C8	H9	90.0°	93.1°
H7	C7	C8	H10	28.6°	146.4°
H8	C7	C8	H9	151.6°	25.3°
H8	C7	C8	H10	89.8°	95.2°
H9	C8	C9	H16	161.1°	79.0°
H9	C8	C9	H17	42.9°	39.5°
H10	C8	C9	H16	42.4°	160.5°
H10	C8	C9	H17	75.7°	81.0°
H11	C10	C9	H16	35.5°	179.6°
H11	C10	C9	H17	153.6°	61.9°
H12	C10	C9	H16	83.0°	62.0°
H12	C10	C9	H17	35.2°	56.5°
H13	C1	H14	H15	120.0°	120.0°

Release date:	2019-05-08
Definition date:	2019-02-22
Last modified:	2019-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	5QP7