RZW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C1	sing	1.46Å	1.45Å
C1	C6	doub	1.40Å	1.47Å	Aromatic
C1	C2	sing	1.41Å	1.47Å	Aromatic
N7	C2	sing	1.38Å	1.42Å
C2	C3	doub	1.39Å	1.46Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C3	O14	sing	1.36Å	1.35Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C6	C5	sing	1.39Å	1.47Å	Aromatic
C5	O16	sing	1.36Å	1.38Å
O18	C6	sing	1.36Å	1.38Å
C8	N7	sing	1.34Å	1.40Å
N7	C13	sing	1.47Å	1.45Å
C9	C8	sing	1.41Å	1.40Å
O12	C8	doub	1.22Å	1.22Å
C9	C10	doub	1.36Å	1.40Å
C9	H9	sing	1.08Å	1.08Å
C11	C10	sing	1.51Å	1.48Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C13	H13B	sing	1.09Å	1.10Å
O14	C15	sing	1.43Å	1.43Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C15	H15B	sing	1.09Å	1.10Å
O16	C17	sing	1.43Å	1.45Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
O18	C19	sing	1.43Å	1.41Å
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C1	C6	120.4°	121.1°
C10	C1	C2	120.6°	119.0°
C1	C10	C9	118.2°	118.6°
C1	C10	C11	121.7°	120.7°
C6	C1	C2	118.7°	119.9°
C1	C6	C5	117.9°	119.6°
C1	C6	O18	122.9°	120.3°
C1	C2	N7	118.5°	119.5°
C1	C2	C3	119.9°	119.6°
N7	C2	C3	121.5°	120.9°
C2	N7	C8	117.7°	120.9°
C2	N7	C13	123.5°	119.5°
C2	C3	C4	120.8°	120.0°
C2	C3	O14	116.2°	120.0°
C4	C3	O14	122.9°	120.1°
C3	C4	C5	120.5°	120.7°
C3	C4	H4	119.8°	119.6°
C3	O14	C15	123.7°	117.0°
C5	C4	H4	119.7°	119.7°
C4	C5	C6	122.2°	120.3°
C4	C5	O16	122.0°	119.9°
C6	C5	O16	115.7°	119.8°
C5	C6	O18	119.1°	120.2°
C5	O16	C17	114.9°	117.0°
C6	O18	C19	117.9°	117.1°
C8	N7	C13	118.7°	119.5°
N7	C8	C9	124.8°	121.6°
N7	C8	O12	115.3°	119.2°
N7	C13	H13	109.5°	109.5°
N7	C13	H13A	109.4°	109.5°
N7	C13	H13B	109.5°	109.5°
C9	C8	O12	119.9°	119.2°
C8	C9	C10	119.8°	120.3°
C8	C9	H9	120.1°	119.9°
C10	C9	H9	120.1°	119.8°
C9	C10	C11	120.0°	120.7°
C10	C11	H11	109.5°	109.5°
C10	C11	H11A	109.5°	109.5°
C10	C11	H11B	109.5°	109.5°
H11	C11	H11A	109.5°	109.5°
H11	C11	H11B	109.4°	109.4°
H11A	C11	H11B	109.5°	109.4°
H13	C13	H13A	109.5°	109.4°
H13	C13	H13B	109.5°	109.5°
H13A	C13	H13B	109.5°	109.5°
O14	C15	H15	109.5°	109.5°
O14	C15	H15A	109.5°	109.5°
O14	C15	H15B	109.4°	109.5°
H15	C15	H15A	109.4°	109.4°
H15	C15	H15B	109.5°	109.4°
H15A	C15	H15B	109.5°	109.5°
O16	C17	H17	109.5°	109.5°
O16	C17	H17A	109.4°	109.4°
O16	C17	H17B	109.5°	109.5°
H17	C17	H17A	109.5°	109.4°
H17	C17	H17B	109.4°	109.5°
H17A	C17	H17B	109.5°	109.5°
O18	C19	H19	109.5°	109.4°
O18	C19	H19A	109.5°	109.5°
O18	C19	H19B	109.4°	109.5°
H19	C19	H19A	109.4°	109.4°
H19	C19	H19B	109.5°	109.5°
H19A	C19	H19B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C1	C6	C2	174.3°	179.7°
C10	C1	C2	N7	7.1°	0.3°
C10	C1	C2	C3	177.0°	179.7°
C10	C1	C6	C5	177.6°	179.8°
C10	C1	C6	O18	6.5°	0.3°
C1	C10	C9	C8	1.4°	0.6°
C1	C10	C9	C11	177.3°	179.4°
C1	C10	C9	H9	178.6°	179.7°
C1	C10	C11	H11	180.0°	175.5°
C1	C10	C11	H11A	60.0°	55.5°
C1	C10	C11	H11B	60.0°	64.5°
C6	C1	C2	N7	178.5°	180.0°
C6	C1	C2	C3	2.6°	0.0°
C1	C6	C5	C4	1.8°	0.1°
C1	C6	C5	O18	176.0°	179.9°
C1	C6	C5	O16	178.8°	180.0°
C6	C1	C10	C9	178.5°	179.7°
C6	C1	C10	C11	4.2°	0.3°
C1	C6	O18	C19	103.2°	97.0°
C1	C2	N7	C3	175.8°	180.0°
C1	C2	C3	C4	0.4°	0.0°
C1	C2	C3	O14	178.7°	180.0°
C2	C1	C6	C5	3.3°	0.1°
C2	C1	C6	O18	179.1°	180.0°
C1	C2	N7	C8	7.0°	0.0°
C1	C2	N7	C13	177.4°	180.0°
C2	C1	C10	C9	4.3°	0.6°
C2	C1	C10	C11	178.4°	180.0°
N7	C2	C3	C4	176.2°	180.0°
N7	C2	C3	O14	5.5°	0.0°
C2	N7	C8	C13	175.8°	180.0°
C2	N7	C8	C9	4.4°	0.0°
C2	N7	C8	O12	175.6°	180.0°
C2	N7	C13	H13	180.0°	64.2°
C2	N7	C13	H13A	60.0°	175.9°
C2	N7	C13	H13B	60.0°	55.8°
C2	C3	C4	O14	178.2°	179.9°
C2	C3	C4	C5	1.1°	0.1°
C2	C3	C4	H4	178.9°	180.0°
C3	C2	N7	C8	177.2°	180.0°
C3	C2	N7	C13	1.6°	0.0°
C2	C3	O14	C15	173.9°	180.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.4°	0.1°
C3	C4	C5	O16	178.9°	180.0°
C4	C3	O14	C15	4.4°	0.1°
O14	C3	C4	C5	177.1°	180.0°
O14	C3	C4	H4	3.0°	0.1°
C3	O14	C15	H15	180.0°	180.0°
C3	O14	C15	H15A	60.0°	60.0°
C3	O14	C15	H15B	60.0°	60.0°
C4	C5	C6	O16	179.3°	179.9°
C4	C5	C6	O18	177.9°	180.0°
C4	C5	O16	C17	9.3°	0.0°
H4	C4	C5	C6	179.6°	180.0°
H4	C4	C5	O16	1.1°	0.1°
C6	C5	O16	C17	171.4°	179.9°
C5	C6	O18	C19	72.7°	82.9°
O16	C5	C6	O18	2.8°	0.1°
C5	O16	C17	H17	180.0°	60.0°
C5	O16	C17	H17A	60.0°	60.0°
C5	O16	C17	H17B	60.0°	180.0°
C6	O18	C19	H19	180.0°	65.5°
C6	O18	C19	H19A	60.0°	54.4°
C6	O18	C19	H19B	60.0°	174.5°
N7	C8	C9	O12	180.0°	180.0°
N7	C8	C9	C10	1.5°	0.3°
N7	C8	C9	H9	178.4°	180.0°
C8	N7	C13	H13	4.4°	115.8°
C8	N7	C13	H13A	124.4°	4.1°
C8	N7	C13	H13B	115.6°	124.2°
C13	N7	C8	C9	179.7°	180.0°
C13	N7	C8	O12	0.2°	0.0°
N7	C13	H13	H13A	120.0°	120.0°
N7	C13	H13	H13B	120.0°	120.0°
N7	C13	H13A	H13B	120.0°	120.0°
C8	C9	C10	H9	180.0°	179.7°
C8	C9	C10	C11	178.7°	180.0°
O12	C8	C9	C10	178.5°	179.7°
O12	C8	C9	H9	1.5°	0.0°
C9	C10	C11	H11	2.8°	5.1°
C9	C10	C11	H11A	122.8°	125.1°
C9	C10	C11	H11B	117.2°	114.9°
H9	C9	C10	C11	1.2°	0.3°
C10	C11	H11	H11A	120.0°	120.1°
C10	C11	H11	H11B	120.0°	120.0°
C10	C11	H11A	H11B	120.0°	120.0°
H11	C11	H11A	H11B	120.0°	119.9°
H13	C13	H13A	H13B	120.0°	120.0°
O14	C15	H15	H15A	120.0°	120.0°
O14	C15	H15	H15B	120.0°	120.0°
O14	C15	H15A	H15B	120.0°	120.0°
H15	C15	H15A	H15B	120.0°	119.9°
O16	C17	H17	H17A	120.0°	119.9°
O16	C17	H17	H17B	120.0°	120.0°
O16	C17	H17A	H17B	120.0°	120.0°
H17	C17	H17A	H17B	120.0°	120.0°
O18	C19	H19	H19A	120.0°	120.0°
O18	C19	H19	H19B	120.0°	120.0°
O18	C19	H19A	H19B	120.0°	120.1°
H19	C19	H19A	H19B	120.0°	120.0°

Definition date:	2010-06-29
Last modified:	2012-01-06
Release status:	REL
Processing site:	RCSB
Derived from:	3NHR