JON

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C6	doub	1.21Å	1.22Å
N2	C6	sing	1.34Å	1.36Å
N2	C5	sing	1.34Å	1.35Å
C6	C7	sing	1.51Å	1.50Å
C5	O4	doub	1.21Å	1.21Å
C5	C1	sing	1.51Å	1.51Å
C7	C1	sing	1.54Å	1.56Å
C1	N1	sing	1.46Å	1.43Å
O2	C2	doub	1.22Å	1.22Å
N1	C2	sing	1.35Å	1.34Å
C2	O1	sing	1.35Å	1.36Å
O1	C3	sing	1.45Å	1.45Å
C3	C4	sing	1.53Å	1.50Å
C4	N3	sing	1.47Å	1.48Å
C4	C8	sing	1.54Å	1.53Å
N3	C10	sing	1.48Å	1.47Å
C8	C9	sing	1.55Å	1.53Å
C10	C9	sing	1.55Å	1.52Å
C4	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
N3	H14	sing	1.01Å	1.00Å
C1	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C6	N2	122.5°	125.4°
O3	C6	C7	129.6°	125.4°
C6	N2	C5	114.4°	114.5°
N2	C6	C7	107.9°	109.2°
C6	N2	H11	122.8°	122.8°
N2	C5	O4	122.3°	125.4°
N2	C5	C1	109.1°	109.2°
C5	N2	H11	122.8°	122.8°
C6	C7	C1	104.4°	103.6°
C6	C7	H2	110.7°	110.6°
C6	C7	H3	110.7°	110.6°
O4	C5	C1	128.4°	125.4°
C5	C1	C7	102.2°	103.5°
C5	C1	N1	114.3°	110.6°
C5	C1	H16	108.2°	110.6°
C7	C1	N1	114.8°	110.6°
C1	C7	H2	110.7°	110.6°
C1	C7	H3	110.7°	110.5°
C7	C1	H16	107.6°	110.6°
C1	N1	C2	121.1°	120.0°
C1	N1	H10	119.4°	120.0°
N1	C1	H16	109.2°	110.7°
O2	C2	N1	127.2°	120.0°
O2	C2	O1	122.6°	120.0°
N1	C2	O1	109.6°	120.0°
C2	N1	H10	119.5°	120.0°
C2	O1	C3	110.7°	117.0°
O1	C3	C4	107.2°	109.5°
O1	C3	H12	110.1°	109.5°
O1	C3	H13	110.1°	109.4°
C3	C4	N3	108.9°	109.9°
C3	C4	C8	112.1°	109.9°
C3	C4	H1	109.9°	110.0°
C4	C3	H12	110.0°	109.5°
C4	C3	H13	110.0°	109.4°
N3	C4	C8	106.0°	107.3°
C4	N3	C10	109.5°	108.6°
N3	C4	H1	110.3°	109.9°
C4	N3	H14	109.5°	111.0°
C4	C8	C9	104.1°	103.0°
C8	C4	H1	109.6°	109.9°
C4	C8	H4	110.8°	110.7°
C4	C8	H5	110.8°	110.7°
N3	C10	C9	105.2°	104.8°
N3	C10	H8	110.5°	110.4°
N3	C10	H9	110.5°	110.5°
C10	N3	H14	109.5°	111.0°
C8	C9	C10	103.2°	101.6°
C9	C8	H4	110.8°	110.7°
C9	C8	H5	110.8°	110.7°
C8	C9	H6	111.0°	111.0°
C8	C9	H7	111.0°	111.0°
C10	C9	H6	111.0°	111.0°
C10	C9	H7	111.0°	111.1°
C9	C10	H8	110.5°	110.4°
C9	C10	H9	110.5°	110.3°
H2	C7	H3	109.5°	110.7°
H4	C8	H5	109.5°	110.8°
H6	C9	H7	109.5°	110.8°
H8	C10	H9	109.4°	110.3°
H12	C3	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C6	N2	C7	177.9°	180.0°
O3	C6	N2	C5	175.1°	179.9°
O3	C6	C7	C1	167.0°	180.0°
O3	C6	C7	H2	73.8°	61.4°
O3	C6	C7	H3	47.8°	61.5°
O3	C6	N2	H11	4.8°	0.1°
C6	N2	C5	H11	180.0°	180.0°
C6	N2	C5	O4	178.9°	180.0°
C6	N2	C5	C1	6.9°	0.2°
N2	C6	C7	C1	10.7°	0.1°
N2	C6	C7	H2	108.5°	118.5°
N2	C6	C7	H3	129.9°	118.5°
C5	N2	C6	C7	2.7°	0.1°
N2	C5	O4	C1	173.0°	179.7°
N2	C5	C1	C7	12.8°	0.2°
N2	C5	C1	N1	137.5°	118.8°
N2	C5	C1	H16	100.6°	118.3°
C6	C7	C1	C5	13.7°	0.2°
C6	C7	C1	H2	119.2°	118.6°
C6	C7	C1	H3	119.2°	118.5°
C6	C7	C1	N1	138.0°	118.7°
C6	C7	H2	H3	122.3°	122.9°
C7	C6	N2	H11	177.3°	179.9°
C6	C7	C1	H16	100.1°	118.3°
O4	C5	C1	C7	173.4°	180.0°
O4	C5	C1	N1	48.7°	61.5°
O4	C5	N2	H11	1.2°	0.0°
O4	C5	C1	H16	73.2°	61.5°
C5	C1	C7	N1	124.3°	118.5°
C5	C1	C7	H16	113.9°	118.5°
C5	C1	N1	H16	121.4°	122.9°
C5	C1	N1	C2	90.0°	86.4°
C5	C1	C7	H2	105.5°	118.4°
C5	C1	C7	H3	132.9°	118.6°
C5	C1	N1	H10	90.0°	93.5°
C1	C5	N2	H11	173.1°	179.8°
C7	C1	N1	H16	120.9°	123.0°
C7	C1	N1	C2	152.3°	159.5°
C1	C7	H2	H3	122.4°	122.9°
C7	C1	N1	H10	27.7°	20.6°
C1	N1	C2	O2	13.6°	0.0°
C1	N1	C2	H10	180.0°	180.0°
C1	N1	C2	O1	175.2°	180.0°
N1	C1	C7	H2	18.9°	0.1°
N1	C1	C7	H3	102.8°	122.8°
O2	C2	N1	O1	171.2°	180.0°
O2	C2	O1	C3	12.6°	0.0°
O2	C2	N1	H10	166.4°	180.0°
N1	C2	O1	C3	175.7°	180.0°
C2	N1	C1	H16	31.3°	36.5°
C2	O1	C3	C4	167.9°	180.0°
O1	C2	N1	H10	4.8°	0.0°
C2	O1	C3	H12	48.2°	60.0°
C2	O1	C3	H13	72.5°	60.1°
O1	C3	C4	H12	119.6°	120.1°
O1	C3	C4	H13	119.6°	119.9°
O1	C3	C4	N3	174.3°	66.4°
O1	C3	C4	C8	57.3°	175.8°
O1	C3	C4	H1	64.8°	54.7°
O1	C3	H12	H13	121.1°	120.0°
C3	C4	N3	C8	120.8°	119.4°
C3	C4	N3	H1	120.7°	121.2°
C3	C4	C8	H1	122.3°	121.1°
C3	C4	N3	C10	122.0°	118.4°
C3	C4	C8	C9	140.3°	141.7°
C3	C4	C8	H4	21.2°	23.4°
C3	C4	C8	H5	100.5°	99.9°
C4	C3	H12	H13	121.1°	120.0°
C3	C4	N3	H14	118.0°	119.4°
N3	C4	C8	H1	119.0°	119.5°
C4	N3	C10	H14	120.0°	122.2°
N3	C4	C8	C9	21.6°	22.3°
C4	N3	C10	C9	20.0°	24.1°
N3	C4	C8	H4	97.5°	96.0°
N3	C4	C8	H5	140.8°	140.7°
C4	N3	C10	H8	139.4°	94.8°
C4	N3	C10	H9	99.3°	142.9°
N3	C4	C3	H12	66.1°	173.5°
N3	C4	C3	H13	54.6°	53.5°
C8	C4	N3	C10	1.2°	0.9°
C4	C8	C9	H4	119.1°	118.4°
C4	C8	C9	H5	119.1°	118.4°
C4	C8	C9	C10	33.3°	35.7°
C4	C8	H4	H5	122.5°	123.2°
C4	C8	C9	H6	152.3°	153.7°
C4	C8	C9	H7	85.7°	82.5°
C8	C4	C3	H12	176.9°	55.7°
C8	C4	C3	H13	62.4°	64.3°
C8	C4	N3	H14	121.2°	121.3°
N3	C10	C9	C8	32.9°	37.1°
N3	C10	C9	H8	119.3°	118.9°
N3	C10	C9	H9	119.3°	119.0°
C10	N3	C4	H1	117.3°	120.4°
N3	C10	C9	H6	151.9°	155.2°
N3	C10	C9	H7	86.1°	81.1°
N3	C10	H8	H9	121.9°	122.4°
C8	C9	C10	H6	119.0°	118.1°
C8	C9	C10	H7	119.0°	118.1°
C9	C8	C4	H1	97.4°	97.1°
C9	C8	H4	H5	122.5°	123.2°
C8	C9	H6	H7	122.9°	123.8°
C8	C9	C10	H8	152.2°	81.8°
C8	C9	C10	H9	86.5°	156.1°
C10	C9	C8	H4	85.8°	82.7°
C10	C9	C8	H5	152.4°	154.1°
C10	C9	H6	H7	122.9°	123.9°
C9	C10	H8	H9	122.0°	122.2°
C9	C10	N3	H14	99.9°	98.1°
H1	C4	C8	H4	143.4°	144.5°
H1	C4	C8	H5	21.8°	21.2°
H1	C4	C3	H12	54.8°	65.3°
H1	C4	C3	H13	175.6°	174.6°
H1	C4	N3	H14	2.7°	1.8°
H2	C7	C1	H16	140.7°	123.1°
H3	C7	C1	H16	19.0°	0.1°
H4	C8	C9	H6	33.2°	35.4°
H4	C8	C9	H7	155.2°	159.1°
H5	C8	C9	H6	88.6°	87.9°
H5	C8	C9	H7	33.5°	35.9°
H6	C9	C10	H8	88.8°	36.3°
H6	C9	C10	H9	32.6°	85.9°
H7	C9	C10	H8	33.2°	160.1°
H7	C9	C10	H9	154.6°	37.9°
H8	C10	N3	H14	19.4°	143.0°
H9	C10	N3	H14	140.7°	20.7°
H10	N1	C1	H16	148.7°	143.5°

Release date:	2019-08-07
Definition date:	2019-03-14
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	6R19