IPZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.53Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.12Å
C8	C10	sing	1.53Å	1.53Å
C8	C2	sing	1.51Å	1.53Å
C8	H8	sing	1.09Å	1.11Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.12Å
C2	N1	doub	1.32Å	1.34Å	Aromatic
C2	C3	sing	1.39Å	1.39Å	Aromatic
N1	C6	sing	1.32Å	1.32Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	N4	sing	1.32Å	1.32Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
N4	C3	doub	1.32Å	1.34Å	Aromatic
C3	O7	sing	1.36Å	1.36Å
O7	C11	sing	1.43Å	1.43Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C11	H113	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C9	H91	110.0°	109.5°
C8	C9	H92	112.0°	109.4°
C8	C9	H93	112.0°	109.5°
C9	C8	C10	110.0°	109.5°
C9	C8	C2	111.6°	109.5°
C9	C8	H8	107.8°	109.5°
H91	C9	H92	112.0°	109.5°
H91	C9	H93	112.1°	109.5°
H92	C9	H93	98.4°	109.5°
C10	C8	C2	109.7°	109.5°
C10	C8	H8	109.6°	109.5°
C8	C10	H101	110.0°	109.4°
C8	C10	H102	112.1°	109.5°
C8	C10	H103	112.0°	109.5°
C2	C8	H8	108.1°	109.4°
C8	C2	N1	122.4°	120.0°
C8	C2	C3	119.9°	120.1°
H101	C10	H102	112.0°	109.4°
H101	C10	H103	112.0°	109.5°
H102	C10	H103	98.4°	109.5°
N1	C2	C3	117.7°	119.9°
C2	N1	C6	122.5°	120.1°
C2	C3	N4	120.1°	119.9°
C2	C3	O7	117.1°	120.0°
N1	C6	C5	119.3°	120.1°
N1	C6	H6	117.9°	120.0°
C5	C6	H6	122.8°	119.9°
C6	C5	N4	119.3°	120.1°
C6	C5	H5	122.7°	119.9°
N4	C5	H5	117.9°	120.0°
C5	N4	C3	121.1°	119.9°
N4	C3	O7	122.7°	120.0°
C3	O7	C11	116.0°	106.8°
O7	C11	H111	116.0°	109.5°
O7	C11	H112	109.9°	109.5°
O7	C11	H113	109.8°	109.5°
H111	C11	H112	109.9°	109.5°
H111	C11	H113	109.8°	109.5°
H112	C11	H113	100.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	H91	H92	125.3°	120.0°
C8	C9	H91	H93	125.2°	120.0°
C8	C9	H92	H93	117.9°	120.0°
C9	C8	C10	C2	123.1°	120.1°
C9	C8	C10	H8	118.4°	120.0°
C9	C8	C2	H8	118.3°	120.0°
C9	C8	C10	H101	180.0°	60.0°
C9	C8	C10	H102	54.8°	180.0°
C9	C8	C10	H103	54.8°	60.0°
C9	C8	C2	N1	37.2°	60.1°
C9	C8	C2	C3	144.4°	119.5°
H91	C9	H92	H93	118.0°	120.0°
H91	C9	C8	C10	180.0°	60.0°
H91	C9	C8	C2	58.0°	180.0°
H91	C9	C8	H8	60.5°	60.0°
H92	C9	C8	C10	54.7°	180.0°
H92	C9	C8	C2	176.7°	59.9°
H92	C9	C8	H8	64.8°	60.0°
H93	C9	C8	C10	54.7°	60.0°
H93	C9	C8	C2	67.3°	60.0°
H93	C9	C8	H8	174.2°	180.0°
C10	C8	C2	H8	119.5°	120.0°
C8	C10	H101	H102	125.3°	120.0°
C8	C10	H101	H103	125.3°	120.0°
C8	C10	H102	H103	118.0°	120.0°
C10	C8	C2	N1	85.0°	60.0°
C10	C8	C2	C3	93.4°	120.5°
C2	C8	C10	H101	56.9°	60.1°
C2	C8	C10	H102	68.3°	59.9°
C2	C8	C10	H103	177.8°	179.9°
C8	C2	N1	C3	178.4°	179.6°
C8	C2	N1	C6	178.6°	180.0°
C8	C2	C3	N4	178.1°	180.0°
C8	C2	C3	O7	2.5°	0.2°
H8	C8	C10	H101	61.6°	180.0°
H8	C8	C10	H102	173.1°	60.0°
H8	C8	C10	H103	63.6°	60.0°
H8	C8	C2	N1	155.5°	179.9°
H8	C8	C2	C3	26.1°	0.5°
H101	C10	H102	H103	117.8°	120.0°
C2	N1	C6	C5	0.5°	0.3°
C2	N1	C6	H6	179.5°	179.8°
N1	C2	C3	N4	0.3°	0.4°
N1	C2	C3	O7	179.0°	179.8°
C3	C2	N1	C6	0.2°	0.4°
C2	C3	N4	C5	0.5°	0.1°
C2	C3	N4	O7	179.3°	179.9°
C2	C3	O7	C11	164.1°	179.8°
N1	C6	C5	H6	179.9°	179.9°
N1	C6	C5	N4	0.3°	0.0°
N1	C6	C5	H5	179.6°	180.0°
C6	C5	N4	H5	179.9°	180.0°
C6	C5	N4	C3	0.2°	0.0°
H6	C6	C5	N4	179.7°	179.9°
H6	C6	C5	H5	0.3°	0.0°
C5	N4	C3	O7	178.8°	180.0°
H5	C5	N4	C3	179.9°	180.0°
N4	C3	O7	C11	15.2°	0.1°
C3	O7	C11	H111	180.0°	179.9°
C3	O7	C11	H112	54.7°	59.9°
C3	O7	C11	H113	54.8°	60.0°
O7	C11	H111	H112	125.3°	120.0°
O7	C11	H111	H113	125.2°	120.0°
O7	C11	H112	H113	115.6°	120.0°
H111	C11	H112	H113	115.6°	120.0°

Definition date:	2003-09-16
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1QY2