IN5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	doub	1.32Å	1.41Å	Aromatic
C1	C5	sing	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	doub	1.39Å	1.41Å	Aromatic
C2	N1	sing	1.32Å	1.40Å	Aromatic
C2	C6	sing	1.51Å	1.51Å
C3	C4	sing	1.39Å	1.42Å	Aromatic
C3	O1	sing	1.36Å	1.39Å
O4	P1	doub	1.48Å	1.59Å
O5	P1	sing	1.61Å	1.59Å
O5	HO5	sing	0.97Å	0.95Å
C7	C5	sing	1.51Å	1.51Å
C7	O2	sing	1.43Å	1.43Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	C4	sing	1.51Å	1.48Å
C8	N2	sing	1.47Å	1.34Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C9	C10	sing	1.53Å	1.55Å
C9	N2	sing	1.47Å	1.44Å
C9	P2	sing	1.82Å	1.82Å
C9	H9	sing	1.09Å	1.12Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å
C4	C5	doub	1.38Å	1.43Å	Aromatic
O1	HO1	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
C6	H63	sing	1.09Å	1.11Å
O2	P1	sing	1.61Å	1.55Å
N2	HN2	sing	1.01Å	1.02Å
P1	O3	sing	1.61Å	1.59Å
O3	HO3	sing	0.97Å	0.95Å
P2	O6	doub	1.48Å	1.54Å
P2	O7	sing	1.61Å	1.55Å
P2	O8	sing	1.61Å	1.57Å
O7	HO7	sing	0.97Å	0.95Å
O8	HO8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C5	119.8°	120.9°
N1	C1	H1	120.5°	119.5°
C1	N1	C2	121.2°	121.8°
C5	C1	H1	119.7°	119.5°
C1	C5	C7	117.3°	120.4°
C1	C5	C4	119.7°	119.2°
C3	C2	N1	119.8°	120.7°
C3	C2	C6	118.6°	119.7°
C2	C3	C4	119.7°	119.1°
C2	C3	O1	120.1°	120.4°
N1	C2	C6	121.7°	119.6°
C2	C6	H61	118.6°	109.5°
C2	C6	H62	108.9°	109.5°
C2	C6	H63	108.9°	109.5°
C4	C3	O1	120.3°	120.5°
C3	C4	C8	120.8°	120.8°
C3	C4	C5	119.9°	118.3°
C3	O1	HO1	120.0°	106.8°
O4	P1	O5	109.6°	109.5°
O4	P1	O2	107.9°	109.5°
O4	P1	O3	110.7°	109.5°
P1	O5	HO5	109.6°	106.8°
O5	P1	O2	109.6°	109.5°
O5	P1	O3	108.4°	109.5°
C5	C7	O2	107.7°	109.4°
C5	C7	H71	112.9°	109.4°
C5	C7	H72	112.9°	109.4°
C7	C5	C4	123.0°	120.3°
O2	C7	H71	112.8°	109.5°
O2	C7	H72	112.9°	109.5°
C7	O2	P1	119.4°	106.8°
H71	C7	H72	97.6°	109.5°
C4	C8	N2	121.5°	109.5°
C4	C8	H81	107.9°	109.5°
C4	C8	H82	107.9°	109.4°
C8	C4	C5	119.3°	120.9°
N2	C8	H81	107.9°	109.5°
N2	C8	H82	107.9°	109.5°
C8	N2	C9	121.0°	106.7°
C8	N2	HN2	108.0°	106.6°
H81	C8	H82	101.9°	109.5°
C10	C9	N2	110.3°	109.5°
C10	C9	P2	100.3°	109.5°
C10	C9	H9	114.3°	109.5°
C9	C10	H101	110.3°	109.5°
C9	C10	H102	111.9°	109.5°
C9	C10	H103	111.9°	109.5°
N2	C9	P2	108.3°	109.5°
N2	C9	H9	107.1°	109.4°
C9	N2	HN2	108.1°	106.8°
P2	C9	H9	116.2°	109.5°
C9	P2	O6	116.5°	109.5°
C9	P2	O7	99.8°	109.5°
C9	P2	O8	107.9°	109.5°
H101	C10	H102	111.9°	109.5°
H101	C10	H103	111.9°	109.5°
H102	C10	H103	98.5°	109.5°
H61	C6	H62	108.9°	109.4°
H61	C6	H63	108.9°	109.5°
H62	C6	H63	101.2°	109.5°
O2	P1	O3	110.7°	109.5°
P1	O3	HO3	110.7°	106.8°
O6	P2	O7	116.7°	109.5°
O6	P2	O8	112.1°	109.5°
O7	P2	O8	102.2°	109.5°
P2	O7	HO7	99.8°	106.8°
P2	O8	HO8	107.8°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C5	H1	180.0°	179.8°
C1	N1	C2	C3	0.0°	0.1°
C1	N1	C2	C6	179.7°	180.0°
N1	C1	C5	C7	179.5°	180.0°
N1	C1	C5	C4	0.2°	0.4°
C5	C1	N1	C2	0.1°	0.2°
C1	C5	C4	C3	0.2°	0.4°
C1	C5	C7	C4	179.3°	179.6°
C1	C5	C7	O2	119.6°	0.0°
C1	C5	C7	H71	5.6°	119.9°
C1	C5	C7	H72	115.1°	120.1°
C1	C5	C4	C8	179.8°	179.8°
H1	C1	N1	C2	179.9°	180.0°
H1	C1	C5	C7	0.5°	0.2°
H1	C1	C5	C4	179.8°	179.8°
C3	C2	N1	C6	179.7°	179.9°
C2	C3	C4	O1	179.8°	179.9°
C2	C3	C4	C8	179.9°	180.0°
C2	C3	C4	C5	0.1°	0.2°
C2	C3	O1	HO1	180.0°	89.9°
C3	C2	C6	H61	180.0°	90.1°
C3	C2	C6	H62	54.8°	150.0°
C3	C2	C6	H63	54.7°	29.9°
N1	C2	C3	C4	0.0°	0.1°
N1	C2	C3	O1	179.9°	180.0°
N1	C2	C6	H61	0.2°	90.0°
N1	C2	C6	H62	125.0°	30.0°
N1	C2	C6	H63	125.5°	150.0°
C6	C2	C3	C4	179.7°	180.0°
C6	C2	C3	O1	0.1°	0.1°
C2	C6	H61	H62	125.2°	120.0°
C2	C6	H61	H63	125.2°	120.0°
C2	C6	H62	H63	114.6°	120.0°
C3	C4	C5	C7	179.4°	180.0°
C3	C4	C8	C5	180.0°	179.8°
C3	C4	C8	N2	1.9°	90.0°
C3	C4	C8	H81	127.2°	30.1°
C3	C4	C8	H82	123.4°	150.0°
C4	C3	O1	HO1	0.2°	90.0°
O1	C3	C4	C8	0.1°	0.1°
O1	C3	C4	C5	179.9°	179.7°
O4	P1	O5	O2	118.2°	120.0°
O4	P1	O5	O3	120.9°	120.0°
O4	P1	O5	HO5	180.0°	60.0°
O4	P1	O2	C7	62.2°	60.0°
O4	P1	O2	O3	121.2°	120.0°
O4	P1	O3	HO3	180.0°	180.0°
O5	P1	O2	C7	178.5°	180.0°
O5	P1	O2	O3	119.5°	120.0°
O5	P1	O3	HO3	59.8°	60.0°
HO5	O5	P1	O2	61.8°	180.0°
HO5	O5	P1	O3	59.1°	60.0°
C5	C7	O2	H71	125.3°	119.9°
C5	C7	O2	H72	125.3°	120.0°
C5	C7	H71	H72	118.8°	120.0°
C7	C5	C4	C8	0.6°	0.2°
C5	C7	O2	P1	166.4°	180.0°
O2	C7	H71	H72	118.7°	120.1°
O2	C7	C5	C4	59.7°	179.5°
C7	O2	P1	O3	59.0°	60.0°
H71	C7	C5	C4	175.1°	60.5°
H71	C7	O2	P1	68.4°	60.1°
H72	C7	C5	C4	65.6°	59.5°
H72	C7	O2	P1	41.0°	60.0°
C4	C8	N2	H81	125.3°	120.0°
C4	C8	N2	H82	125.3°	119.9°
C4	C8	H81	H82	113.5°	119.9°
C4	C8	N2	C9	153.4°	180.0°
C4	C8	N2	HN2	28.1°	66.1°
N2	C8	H81	H82	113.5°	120.1°
C8	N2	C9	C10	70.7°	150.0°
C8	N2	C9	HN2	125.2°	113.7°
C8	N2	C9	P2	179.6°	90.0°
C8	N2	C9	H9	54.3°	30.0°
N2	C8	C4	C5	178.1°	90.2°
H81	C8	N2	C9	28.1°	60.0°
H81	C8	C4	C5	52.8°	149.7°
H81	C8	N2	HN2	97.1°	173.9°
H82	C8	N2	C9	81.3°	60.0°
H82	C8	C4	C5	56.6°	29.8°
H82	C8	N2	HN2	153.4°	53.8°
C10	C9	N2	P2	108.9°	120.0°
C10	C9	N2	H9	125.0°	120.0°
C10	C9	P2	H9	123.8°	120.0°
C9	C10	H101	H102	125.2°	120.0°
C9	C10	H101	H103	125.3°	120.0°
C9	C10	H102	H103	117.8°	120.0°
C10	C9	N2	HN2	164.0°	96.3°
C10	C9	P2	O6	51.3°	180.0°
C10	C9	P2	O7	177.9°	60.0°
C10	C9	P2	O8	75.8°	60.1°
N2	C9	P2	H9	120.6°	119.9°
N2	C9	C10	H101	180.0°	60.0°
N2	C9	C10	H102	54.8°	180.0°
N2	C9	C10	H103	54.7°	60.0°
N2	C9	P2	O6	166.9°	60.0°
N2	C9	P2	O7	66.5°	180.0°
N2	C9	P2	O8	39.8°	60.0°
P2	C9	C10	H101	65.9°	60.0°
P2	C9	C10	H102	168.9°	60.0°
P2	C9	C10	H103	59.4°	180.0°
P2	C9	N2	HN2	55.1°	23.8°
C9	P2	O6	O7	117.7°	120.0°
C9	P2	O6	O8	124.9°	120.0°
C9	P2	O7	O8	110.9°	120.0°
C9	P2	O7	HO7	180.0°	180.0°
C9	P2	O8	HO8	180.0°	60.0°
H9	C9	C10	H101	59.2°	179.9°
H9	C9	C10	H102	66.1°	60.0°
H9	C9	C10	H103	175.5°	60.0°
H9	C9	N2	HN2	70.9°	143.7°
H9	C9	P2	O6	72.6°	60.0°
H9	C9	P2	O7	54.1°	60.0°
H9	C9	P2	O8	160.4°	179.9°
H101	C10	H102	H103	117.8°	120.0°
H61	C6	H62	H63	114.7°	120.0°
O2	P1	O3	HO3	60.4°	60.0°
O6	P2	O7	O8	122.7°	120.0°
O6	P2	O7	HO7	53.5°	60.0°
O6	P2	O8	HO8	50.4°	180.0°
O7	P2	O8	HO8	75.3°	60.0°
O8	P2	O7	HO7	69.2°	59.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1BD0