LPT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	0.00Å	1.53Å
C8	C3	sing	0.00Å	1.54Å
C8	H81	sing	0.00Å	1.10Å
C8	H82	sing	0.00Å	1.10Å
C7	C6	sing	0.00Å	1.51Å
C7	H71	sing	0.00Å	1.10Å
C7	H72	sing	0.00Å	1.10Å
C6	C5	sing	0.00Å	1.52Å
C6	H61	sing	0.00Å	1.10Å
C6	H62	sing	0.00Å	1.10Å
C5	C4	sing	0.00Å	1.51Å
C5	H51	sing	0.00Å	1.10Å
C5	H52	sing	0.00Å	1.10Å
C4	C3	sing	0.00Å	1.51Å
C4	H41	sing	0.00Å	1.10Å
C4	H42	sing	0.00Å	1.10Å
C3	N2	sing	0.00Å	1.46Å
C3	H3	sing	0.00Å	1.10Å
N2	PT	sing	0.00Å	2.05Å
N2	HN21	sing	0.00Å	1.00Å
N2	HN22	sing	0.00Å	1.00Å
N1	PT	sing	0.00Å	2.01Å
N1	HN11	sing	0.00Å	1.00Å
N1	HN12	sing	0.00Å	1.00Å
N1	HN13	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C3	107.2°	90.0°
C7	C8	H81	110.0°	90.0°
C7	C8	H82	110.0°	90.0°
C8	C7	C6	113.4°	90.0°
C8	C7	H71	108.5°	90.0°
C8	C7	H72	108.5°	90.0°
C3	C8	H81	110.0°	90.0°
C3	C8	H82	110.0°	90.0°
C8	C3	C4	108.7°	90.0°
C8	C3	N2	109.3°	90.0°
C8	C3	H3	108.9°	90.0°
H81	C8	H82	109.5°	90.0°
C6	C7	H71	108.5°	90.0°
C6	C7	H72	108.5°	90.0°
C7	C6	C5	110.8°	90.0°
C7	C6	H61	109.2°	90.0°
C7	C6	H62	109.1°	90.0°
H71	C7	H72	109.5°	90.0°
C5	C6	H61	109.1°	90.0°
C5	C6	H62	109.2°	90.0°
C6	C5	C4	110.3°	90.0°
C6	C5	H51	109.3°	90.0°
C6	C5	H52	109.3°	90.0°
H61	C6	H62	109.5°	90.0°
C4	C5	H51	109.2°	90.0°
C4	C5	H52	109.3°	90.0°
C5	C4	C3	110.0°	90.0°
C5	C4	H41	109.3°	90.0°
C5	C4	H42	109.3°	90.0°
H51	C5	H52	109.5°	90.0°
C3	C4	H41	109.3°	90.0°
C3	C4	H42	109.3°	90.0°
C4	C3	N2	110.7°	90.0°
C4	C3	H3	109.2°	90.0°
H41	C4	H42	109.5°	90.0°
N2	C3	H3	109.9°	90.0°
C3	N2	PT	120.1°	90.0°
C3	N2	HN21	106.7°	90.0°
C3	N2	HN22	106.8°	90.0°
PT	N2	HN21	106.8°	90.0°
PT	N2	HN22	106.7°	90.0°
N2	PT	N1	99.1°	90.0°
HN21	N2	HN22	109.5°	90.0°
PT	N1	HN11	109.5°	90.0°
PT	N1	HN12	109.5°	90.0°
PT	N1	HN13	109.5°	90.0°
HN11	N1	HN12	109.4°	90.0°
HN11	N1	HN13	109.4°	90.0°
HN12	N1	HN13	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C3	H81	119.6°	90.0°
C7	C8	C3	H82	119.7°	90.0°
C7	C8	H81	H82	121.0°	90.0°
C8	C7	C6	H71	120.6°	90.0°
C8	C7	C6	H72	120.6°	90.0°
C8	C7	H71	H72	118.2°	90.0°
C8	C7	C6	C5	53.7°	90.0°
C8	C7	C6	H61	66.5°	90.0°
C8	C7	C6	H62	173.9°	90.0°
C7	C8	C3	C4	61.0°	90.0°
C7	C8	C3	N2	178.0°	90.0°
C7	C8	C3	H3	58.0°	90.0°
C3	C8	H81	H82	121.0°	90.0°
C3	C8	C7	C6	56.9°	90.0°
C3	C8	C7	H71	177.5°	90.0°
C3	C8	C7	H72	63.7°	90.0°
C8	C3	C4	C5	64.3°	90.0°
C8	C3	C4	N2	120.1°	90.0°
C8	C3	C4	H3	118.7°	90.0°
C8	C3	C4	H41	55.8°	90.0°
C8	C3	C4	H42	175.6°	90.0°
C8	C3	N2	H3	119.5°	90.0°
C8	C3	N2	PT	131.2°	90.0°
C8	C3	N2	HN21	107.3°	90.0°
C8	C3	N2	HN22	9.7°	90.0°
H81	C8	C7	C6	176.6°	90.0°
H81	C8	C7	H71	62.8°	90.0°
H81	C8	C7	H72	56.0°	90.0°
H81	C8	C3	C4	179.4°	90.0°
H81	C8	C3	N2	58.4°	90.0°
H81	C8	C3	H3	61.7°	90.0°
H82	C8	C7	C6	62.8°	90.0°
H82	C8	C7	H71	57.8°	90.0°
H82	C8	C7	H72	176.6°	90.0°
H82	C8	C3	C4	58.7°	90.0°
H82	C8	C3	N2	62.3°	90.0°
H82	C8	C3	H3	177.6°	90.0°
C6	C7	H71	H72	118.2°	90.0°
C7	C6	C5	H61	120.2°	90.0°
C7	C6	C5	H62	120.2°	90.0°
C7	C6	H61	H62	119.4°	90.0°
C7	C6	C5	C4	53.5°	90.0°
C7	C6	C5	H51	173.6°	90.0°
C7	C6	C5	H52	66.6°	90.0°
H71	C7	C6	C5	174.3°	90.0°
H71	C7	C6	H61	54.1°	90.0°
H71	C7	C6	H62	65.5°	90.0°
H72	C7	C6	C5	66.9°	90.0°
H72	C7	C6	H61	172.9°	90.0°
H72	C7	C6	H62	53.3°	90.0°
C5	C6	H61	H62	119.4°	90.0°
C6	C5	C4	H51	120.1°	90.0°
C6	C5	C4	H52	120.1°	90.0°
C6	C5	H51	H52	119.6°	90.0°
C6	C5	C4	C3	59.9°	90.0°
C6	C5	C4	H41	60.2°	90.0°
C6	C5	C4	H42	180.0°	90.0°
H61	C6	C5	C4	66.7°	90.0°
H61	C6	C5	H51	53.4°	90.0°
H61	C6	C5	H52	173.2°	90.0°
H62	C6	C5	C4	173.7°	90.0°
H62	C6	C5	H51	66.2°	90.0°
H62	C6	C5	H52	53.6°	90.0°
C4	C5	H51	H52	119.6°	90.0°
C5	C4	C3	H41	120.1°	90.0°
C5	C4	C3	H42	120.1°	90.0°
C5	C4	H41	H42	119.7°	90.0°
C5	C4	C3	N2	175.6°	90.0°
C5	C4	C3	H3	54.4°	90.0°
H51	C5	C4	C3	180.0°	90.0°
H51	C5	C4	H41	59.9°	90.0°
H51	C5	C4	H42	59.9°	90.0°
H52	C5	C4	C3	60.2°	90.0°
H52	C5	C4	H41	179.7°	90.0°
H52	C5	C4	H42	59.8°	90.0°
C3	C4	H41	H42	119.8°	90.0°
C4	C3	N2	H3	120.7°	90.0°
C4	C3	N2	PT	11.4°	90.0°
C4	C3	N2	HN21	132.9°	90.0°
C4	C3	N2	HN22	110.1°	90.0°
H41	C4	C3	N2	64.4°	90.0°
H41	C4	C3	H3	174.5°	90.0°
H42	C4	C3	N2	55.5°	90.0°
H42	C4	C3	H3	65.6°	90.0°
C3	N2	PT	HN21	121.5°	90.0°
C3	N2	PT	HN22	121.5°	90.0°
C3	N2	HN21	HN22	115.2°	90.0°
C3	N2	PT	N1	101.3°	90.0°
H3	C3	N2	PT	109.4°	90.0°
H3	C3	N2	HN21	12.1°	90.0°
H3	C3	N2	HN22	129.1°	90.0°
PT	N2	HN21	HN22	115.2°	90.0°
N2	PT	N1	HN11	180.0°	90.0°
N2	PT	N1	HN12	60.0°	90.0°
N2	PT	N1	HN13	60.0°	90.0°
HN21	N2	PT	N1	20.2°	90.0°
HN22	N2	PT	N1	137.2°	90.0°
PT	N1	HN11	HN12	120.0°	90.0°
PT	N1	HN11	HN13	120.0°	90.0°
PT	N1	HN12	HN13	120.0°	90.0°
HN11	N1	HN12	HN13	120.0°	90.0°

Definition date:	2002-06-12
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1LU5