J0R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	0.00Å	1.32Å
O1	C7	sing	0.00Å	1.47Å
O1	C2	sing	0.00Å	1.44Å
C7	O2	doub	0.00Å	1.21Å
C6	N1	sing	0.00Å	1.48Å
C4	N1	sing	0.00Å	1.48Å
C3	C2	sing	0.00Å	1.55Å
C3	N1	sing	0.00Å	1.50Å
C2	C1	sing	0.00Å	1.53Å
N1	C5	sing	0.00Å	1.48Å
C1	H1	sing	0.00Å	1.10Å
C1	H2	sing	0.00Å	1.10Å
C1	H3	sing	0.00Å	1.10Å
C2	H4	sing	0.00Å	1.10Å
C5	H5	sing	0.00Å	1.10Å
C5	H6	sing	0.00Å	1.10Å
C5	H7	sing	0.00Å	1.10Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C6	H10	sing	0.00Å	1.10Å
C8	H11	sing	0.00Å	1.10Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C3	H14	sing	0.00Å	1.10Å
C3	H15	sing	0.00Å	1.10Å
C4	H16	sing	0.00Å	1.10Å
C4	H17	sing	0.00Å	1.10Å
C4	H18	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	O1	122.6°	90.0°
C8	C7	O2	117.9°	90.0°
C7	C8	H11	109.5°	90.0°
C7	C8	H12	109.4°	90.0°
C7	C8	H13	109.5°	90.0°
C7	O1	C2	117.9°	90.0°
O1	C7	O2	119.6°	90.0°
O1	C2	C3	114.5°	90.0°
O1	C2	C1	114.1°	90.0°
O1	C2	H4	104.5°	90.0°
C6	N1	C4	107.4°	90.0°
C6	N1	C3	114.7°	90.0°
C6	N1	C5	108.7°	90.0°
N1	C6	H8	109.5°	90.0°
N1	C6	H9	109.5°	90.0°
N1	C6	H10	109.5°	90.0°
C4	N1	C3	103.5°	90.0°
C4	N1	C5	106.6°	90.0°
N1	C4	H16	109.5°	90.0°
N1	C4	H17	109.4°	90.0°
N1	C4	H18	109.4°	90.0°
C2	C3	N1	128.3°	90.0°
C3	C2	C1	114.8°	90.0°
C3	C2	H4	103.4°	90.0°
C2	C3	H14	104.6°	90.0°
C2	C3	H15	104.6°	90.0°
C3	N1	C5	115.2°	90.0°
N1	C3	H14	104.6°	90.0°
N1	C3	H15	104.6°	90.0°
C2	C1	H1	109.5°	90.0°
C2	C1	H2	109.4°	90.0°
C2	C1	H3	109.5°	90.0°
C1	C2	H4	103.6°	90.0°
N1	C5	H5	109.5°	90.0°
N1	C5	H6	109.5°	90.0°
N1	C5	H7	109.4°	90.0°
H1	C1	H2	109.5°	90.0°
H1	C1	H3	109.5°	90.0°
H2	C1	H3	109.5°	90.0°
H5	C5	H6	109.5°	90.0°
H5	C5	H7	109.5°	90.0°
H6	C5	H7	109.5°	90.0°
H8	C6	H9	109.5°	90.0°
H8	C6	H10	109.4°	90.0°
H9	C6	H10	109.5°	90.0°
H11	C8	H12	109.5°	90.0°
H11	C8	H13	109.5°	90.0°
H12	C8	H13	109.5°	90.0°
H14	C3	H15	109.5°	90.0°
H16	C4	H17	109.5°	90.0°
H16	C4	H18	109.4°	90.0°
H17	C4	H18	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	O1	O2	178.5°	90.0°
C8	C7	O1	C2	95.1°	90.0°
C7	C8	H11	H12	120.0°	90.0°
C7	C8	H11	H13	120.0°	90.0°
C7	C8	H12	H13	120.0°	90.0°
C7	O1	C2	C3	170.5°	90.0°
C7	O1	C2	C1	35.3°	90.0°
C7	O1	C2	H4	77.1°	90.0°
O1	C7	C8	H11	178.5°	90.0°
O1	C7	C8	H12	58.5°	90.0°
O1	C7	C8	H13	61.5°	90.0°
C2	O1	C7	O2	86.4°	90.0°
O1	C2	C3	C1	134.9°	90.0°
O1	C2	C3	H4	113.0°	90.0°
O1	C2	C3	N1	66.9°	90.0°
O1	C2	C1	H4	112.9°	90.0°
O1	C2	C1	H1	180.0°	90.0°
O1	C2	C1	H2	60.0°	90.0°
O1	C2	C1	H3	60.0°	90.0°
O1	C2	C3	H14	170.6°	90.0°
O1	C2	C3	H15	55.5°	90.0°
O2	C7	C8	H11	0.0°	90.0°
O2	C7	C8	H12	120.0°	90.0°
O2	C7	C8	H13	120.0°	90.0°
C6	N1	C4	C3	121.7°	90.0°
C6	N1	C4	C5	116.4°	90.0°
C6	N1	C3	C2	62.0°	90.0°
C6	N1	C3	C5	127.4°	90.0°
C6	N1	C5	H5	180.0°	90.0°
C6	N1	C5	H6	60.0°	90.0°
C6	N1	C5	H7	60.0°	90.0°
N1	C6	H8	H9	120.0°	90.0°
N1	C6	H8	H10	120.0°	90.0°
N1	C6	H9	H10	120.0°	90.0°
C6	N1	C3	H14	175.6°	90.0°
C6	N1	C3	H15	60.5°	90.0°
C6	N1	C4	H16	180.0°	90.0°
C6	N1	C4	H17	60.0°	90.0°
C6	N1	C4	H18	60.0°	90.0°
C4	N1	C3	C2	178.6°	90.0°
C4	N1	C3	C5	116.0°	90.0°
C4	N1	C5	H5	64.6°	90.0°
C4	N1	C5	H6	55.4°	90.0°
C4	N1	C5	H7	175.4°	90.0°
C4	N1	C6	H8	180.0°	90.0°
C4	N1	C6	H9	60.0°	90.0°
C4	N1	C6	H10	60.0°	90.0°
C4	N1	C3	H14	59.0°	90.0°
C4	N1	C3	H15	56.2°	90.0°
N1	C4	H16	H17	120.0°	90.0°
N1	C4	H16	H18	120.0°	90.0°
N1	C4	H17	H18	120.0°	90.0°
C2	C3	N1	H14	122.4°	90.0°
C2	C3	N1	H15	122.4°	90.0°
C3	C2	C1	H4	112.0°	90.0°
C2	C3	N1	C5	65.4°	90.0°
C3	C2	C1	H1	44.9°	90.0°
C3	C2	C1	H2	75.1°	90.0°
C3	C2	C1	H3	164.9°	90.0°
C2	C3	H14	H15	111.6°	90.0°
N1	C3	C2	C1	68.0°	90.0°
N1	C3	C2	H4	179.9°	90.0°
C3	N1	C5	H5	49.7°	90.0°
C3	N1	C5	H6	169.7°	90.0°
C3	N1	C5	H7	70.3°	90.0°
C3	N1	C6	H8	65.6°	90.0°
C3	N1	C6	H9	174.4°	90.0°
C3	N1	C6	H10	54.4°	90.0°
N1	C3	H14	H15	111.6°	90.0°
C3	N1	C4	H16	58.3°	90.0°
C3	N1	C4	H17	61.7°	90.0°
C3	N1	C4	H18	178.3°	90.0°
C2	C1	H1	H2	120.0°	90.0°
C2	C1	H1	H3	120.0°	90.0°
C2	C1	H2	H3	120.0°	90.0°
C1	C2	C3	H14	54.5°	90.0°
C1	C2	C3	H15	169.6°	90.0°
N1	C5	H5	H6	120.0°	90.0°
N1	C5	H5	H7	120.0°	90.0°
N1	C5	H6	H7	120.0°	90.0°
C5	N1	C6	H8	65.1°	90.0°
C5	N1	C6	H9	54.9°	90.0°
C5	N1	C6	H10	175.0°	90.0°
C5	N1	C3	H14	57.0°	90.0°
C5	N1	C3	H15	172.1°	90.0°
C5	N1	C4	H16	63.6°	90.0°
C5	N1	C4	H17	176.4°	90.0°
C5	N1	C4	H18	56.4°	90.0°
H1	C1	H2	H3	120.0°	90.0°
H1	C1	C2	H4	67.0°	90.0°
H2	C1	C2	H4	172.9°	90.0°
H3	C1	C2	H4	53.0°	90.0°
H4	C2	C3	H14	57.6°	90.0°
H4	C2	C3	H15	57.5°	90.0°
H5	C5	H6	H7	120.0°	90.0°
H8	C6	H9	H10	120.0°	90.0°
H11	C8	H12	H13	120.0°	90.0°
H16	C4	H17	H18	120.0°	90.0°

Release date:	2022-04-27
Definition date:	2021-03-16
Last modified:	2022-04-22
Release status:	REL
Processing site:	PDBJ
Derived from:	7ECQ