PN8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	0.00Å	1.42Å
N	N1	sing	0.00Å	1.40Å
N	C2	sing	0.00Å	1.46Å
N1	N2	trip	0.00Å	1.17Å
C2	C1	sing	0.00Å	1.55Å
C	C1	sing	0.00Å	1.54Å
C	C6	sing	0.00Å	1.52Å
O3	C6	sing	0.00Å	1.42Å
C1	C3	sing	0.00Å	1.55Å
C6	C5	sing	0.00Å	1.54Å
O1	C3	sing	0.00Å	1.42Å
C3	C4	sing	0.00Å	1.54Å
C5	C4	sing	0.00Å	1.53Å
C5	O2	sing	0.00Å	1.42Å
C3	H2	sing	0.00Å	1.10Å
C2	H7	sing	0.00Å	1.10Å
C2	H6	sing	0.00Å	1.10Å
C6	H4	sing	0.00Å	1.10Å
C4	H10	sing	0.00Å	1.10Å
C4	H9	sing	0.00Å	1.10Å
C1	H1	sing	0.00Å	1.10Å
O1	H8	sing	0.00Å	0.95Å
N	HN	sing	0.00Å	1.00Å
C5	H3	sing	0.00Å	1.10Å
O2	H11	sing	0.00Å	0.95Å
O3	H12	sing	0.00Å	0.95Å
C	H	sing	0.00Å	1.10Å
O	H5	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	110.7°	90.0°
O	C	C6	109.1°	90.0°
O	C	H	109.3°	90.0°
C	O	H5	109.5°	90.0°
N1	N	C2	124.6°	90.0°
N	N1	N2	175.9°	90.0°
N1	N	HN	117.7°	90.0°
N	C2	C1	116.1°	90.0°
N	C2	H7	107.8°	90.0°
N	C2	H6	107.8°	90.0°
C2	N	HN	117.7°	90.0°
C2	C1	C	114.3°	90.0°
C2	C1	C3	111.6°	90.0°
C1	C2	H7	107.8°	90.0°
C1	C2	H6	107.8°	90.0°
C2	C1	H1	106.4°	90.0°
C1	C	C6	112.1°	90.0°
C	C1	C3	111.1°	90.0°
C	C1	H1	106.5°	90.0°
C1	C	H	107.7°	90.0°
C	C6	O3	108.5°	90.0°
C	C6	C5	110.6°	90.0°
C	C6	H4	109.0°	90.0°
C6	C	H	108.0°	90.0°
O3	C6	C5	109.8°	90.0°
O3	C6	H4	110.3°	90.0°
C6	O3	H12	109.5°	90.0°
C1	C3	O1	108.0°	90.0°
C1	C3	C4	111.8°	90.0°
C1	C3	H2	107.8°	90.0°
C3	C1	H1	106.4°	90.0°
C6	C5	C4	111.8°	90.0°
C6	C5	O2	110.4°	90.0°
C5	C6	H4	108.6°	90.0°
C6	C5	H3	107.1°	90.0°
O1	C3	C4	111.7°	90.0°
O1	C3	H2	109.4°	90.0°
C3	O1	H8	109.5°	90.0°
C3	C4	C5	107.8°	90.0°
C4	C3	H2	107.9°	90.0°
C3	C4	H10	109.9°	90.0°
C3	C4	H9	109.9°	90.0°
C4	C5	O2	111.7°	90.0°
C5	C4	H10	109.9°	90.0°
C5	C4	H9	109.9°	90.0°
C4	C5	H3	107.2°	90.0°
O2	C5	H3	108.5°	90.0°
C5	O2	H11	109.5°	90.0°
H7	C2	H6	109.5°	90.0°
H10	C4	H9	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C2	58.0°	90.0°
O	C	C1	C6	122.0°	90.0°
O	C	C1	H	119.4°	90.0°
O	C	C6	H	118.6°	90.0°
O	C	C6	O3	62.7°	90.0°
O	C	C1	C3	174.7°	90.0°
O	C	C6	C5	176.7°	90.0°
O	C	C6	H4	57.3°	90.0°
O	C	C1	H1	59.2°	90.0°
N1	N	C2	HN	180.0°	90.0°
N1	N	C2	C1	47.4°	90.0°
N1	N	C2	H7	168.4°	90.0°
N1	N	C2	H6	73.5°	90.0°
C2	N	N1	N2	175.0°	90.0°
N	C2	C1	H7	121.0°	90.0°
N	C2	C1	H6	121.0°	90.0°
N	C2	C1	C	36.9°	90.0°
N	C2	C1	C3	90.2°	90.0°
N	C2	H7	H6	117.0°	90.0°
N	C2	C1	H1	154.1°	90.0°
N2	N1	N	HN	5.0°	90.0°
C2	C1	C	C3	127.3°	90.0°
C2	C1	C	H1	117.2°	90.0°
C2	C1	C	C6	180.0°	90.0°
C2	C1	C3	H1	115.7°	90.0°
C2	C1	C3	O1	60.8°	90.0°
C2	C1	C3	C4	175.8°	90.0°
C2	C1	C3	H2	57.4°	90.0°
C1	C2	H7	H6	117.0°	90.0°
C1	C2	N	HN	132.6°	90.0°
C2	C1	C	H	61.4°	90.0°
C1	C	C6	H	118.5°	90.0°
C1	C	C6	O3	174.3°	90.0°
C	C1	C3	H1	115.5°	90.0°
C1	C	C6	C5	53.8°	90.0°
C	C1	C3	O1	68.0°	90.0°
C	C1	C3	C4	55.4°	90.0°
C	C1	C3	H2	173.8°	90.0°
C	C1	C2	H7	84.1°	90.0°
C	C1	C2	H6	157.9°	90.0°
C1	C	C6	H4	65.6°	90.0°
C1	C	O	H5	180.0°	90.0°
C	C6	O3	C5	121.1°	90.0°
C	C6	O3	H4	119.3°	90.0°
C6	C	C1	C3	52.6°	90.0°
C	C6	C5	H4	119.5°	90.0°
C	C6	C5	C4	58.3°	90.0°
C	C6	C5	O2	176.7°	90.0°
C6	C	C1	H1	62.8°	90.0°
C	C6	C5	H3	58.8°	90.0°
C	C6	O3	H12	180.0°	90.0°
C6	C	O	H5	56.2°	90.0°
O3	C6	C5	H4	120.7°	90.0°
O3	C6	C5	C4	178.1°	90.0°
O3	C6	C5	O2	56.9°	90.0°
O3	C6	C5	H3	61.0°	90.0°
O3	C6	C	H	55.9°	90.0°
C1	C3	O1	C4	123.4°	90.0°
C1	C3	O1	H2	117.1°	90.0°
C1	C3	C4	H2	118.4°	90.0°
C1	C3	C4	C5	58.1°	90.0°
C3	C1	C2	H7	148.8°	90.0°
C3	C1	C2	H6	30.8°	90.0°
C1	C3	C4	H10	61.7°	90.0°
C1	C3	C4	H9	177.8°	90.0°
C1	C3	O1	H8	180.0°	90.0°
C3	C1	C	H	66.0°	90.0°
C6	C5	C4	C3	59.5°	90.0°
C6	C5	C4	O2	124.3°	90.0°
C6	C5	C4	H3	117.0°	90.0°
C6	C5	O2	H3	117.0°	90.0°
C6	C5	C4	H10	60.2°	90.0°
C6	C5	C4	H9	179.2°	90.0°
C6	C5	O2	H11	180.0°	90.0°
C5	C6	O3	H12	58.9°	90.0°
C5	C6	C	H	64.7°	90.0°
O1	C3	C4	H2	120.3°	90.0°
O1	C3	C4	C5	63.2°	90.0°
O1	C3	C4	H10	177.1°	90.0°
O1	C3	C4	H9	56.5°	90.0°
O1	C3	C1	H1	176.5°	90.0°
C3	C4	C5	H10	119.7°	90.0°
C3	C4	C5	H9	119.7°	90.0°
C3	C4	C5	O2	176.2°	90.0°
C3	C4	H10	H9	120.8°	90.0°
C4	C3	C1	H1	60.2°	90.0°
C4	C3	O1	H8	56.6°	90.0°
C3	C4	C5	H3	57.5°	90.0°
C4	C5	O2	H3	117.9°	90.0°
C5	C4	C3	H2	176.5°	90.0°
C4	C5	C6	H4	61.2°	90.0°
C5	C4	H10	H9	120.8°	90.0°
C4	C5	O2	H11	54.9°	90.0°
O2	C5	C6	H4	63.7°	90.0°
O2	C5	C4	H10	64.0°	90.0°
O2	C5	C4	H9	56.5°	90.0°
H2	C3	C4	H10	56.7°	90.0°
H2	C3	C4	H9	63.8°	90.0°
H2	C3	C1	H1	58.3°	90.0°
H2	C3	O1	H8	62.9°	90.0°
H7	C2	C1	H1	33.2°	90.0°
H7	C2	N	HN	11.6°	90.0°
H6	C2	C1	H1	84.9°	90.0°
H6	C2	N	HN	106.5°	90.0°
H4	C6	C5	H3	178.3°	90.0°
H4	C6	O3	H12	60.7°	90.0°
H4	C6	C	H	176.0°	90.0°
H10	C4	C5	H3	177.2°	90.0°
H9	C4	C5	H3	62.2°	90.0°
H1	C1	C	H	178.6°	90.0°
H3	C5	O2	H11	63.0°	90.0°
H	C	O	H5	61.6°	90.0°

Release date:	2021-05-12
Definition date:	2020-04-26
Last modified:	2021-05-07
Release status:	REL
Processing site:	PDBE
Derived from:	6YTP