BM3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.42Å	1.44Å
C1	C2	sing	1.53Å	1.45Å
C1	O5	sing	1.43Å	1.40Å
C1	H1	sing	1.09Å	1.12Å
O1	HO1	sing	0.97Å	0.95Å
C2	N2	sing	1.45Å	1.40Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	sing	1.10Å	1.11Å
N2	C7	sing	1.38Å	1.36Å
N2	HN2	sing	1.01Å	1.02Å
C7	O7	doub	1.22Å	1.23Å
C7	C8	sing	1.49Å	1.49Å
C8	H81	sing	1.10Å	1.11Å
C8	H82	sing	1.10Å	1.11Å
C8	H83	sing	1.10Å	1.11Å
C3	O3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.61Å
C3	H3	sing	1.10Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.45Å
C4	C5	sing	1.53Å	1.58Å
C4	H4	sing	1.10Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.56Å
C5	O5	sing	1.43Å	1.50Å
C5	H5	sing	1.10Å	1.12Å
C6	O6	sing	1.42Å	1.75Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	124.3°	109.5°
O1	C1	O5	111.9°	112.4°
O1	C1	H1	102.0°	106.8°
C1	O1	HO1	124.3°	106.6°
C2	C1	O5	111.2°	110.9°
C2	C1	H1	102.0°	110.2°
C1	C2	N2	125.5°	110.0°
C1	C2	C3	100.5°	110.7°
C1	C2	H2	102.8°	110.3°
O5	C1	H1	102.0°	106.9°
C1	O5	C5	100.7°	114.2°
N2	C2	C3	119.2°	111.5°
N2	C2	H2	102.8°	105.3°
C2	N2	C7	127.3°	123.0°
C2	N2	HN2	116.3°	118.5°
C3	C2	H2	102.8°	108.8°
C2	C3	O3	115.5°	109.8°
C2	C3	C4	102.6°	111.4°
C2	C3	H3	110.1°	109.6°
C7	N2	HN2	116.3°	118.5°
N2	C7	O7	124.3°	126.6°
N2	C7	C8	118.5°	113.9°
O7	C7	C8	117.2°	119.6°
C7	C8	H81	118.5°	112.4°
C7	C8	H82	109.0°	112.4°
C7	C8	H83	109.0°	115.4°
H81	C8	H82	108.9°	105.3°
H81	C8	H83	108.9°	105.3°
H82	C8	H83	101.1°	105.2°
O3	C3	C4	108.1°	110.5°
O3	C3	H3	110.1°	106.2°
C3	O3	HO3	115.5°	106.5°
C4	C3	H3	110.1°	109.3°
C3	C4	O4	114.1°	108.0°
C3	C4	C5	116.6°	110.2°
C3	C4	H4	104.0°	110.0°
O4	C4	C5	112.4°	110.3°
O4	C4	H4	104.0°	107.3°
C4	O4	HO4	114.1°	106.5°
C5	C4	H4	104.0°	110.9°
C4	C5	C6	106.8°	112.0°
C4	C5	O5	106.6°	111.1°
C4	C5	H5	111.4°	110.4°
C6	C5	O5	109.2°	107.0°
C6	C5	H5	111.4°	107.0°
C5	C6	O6	104.0°	108.5°
C5	C6	H61	114.3°	109.9°
C5	C6	H62	114.2°	110.0°
O5	C5	H5	111.4°	109.3°
O6	C6	H61	114.3°	109.3°
O6	C6	H62	114.3°	109.3°
C6	O6	HO6	104.0°	107.1°
H61	C6	H62	96.2°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	138.3°	124.5°
O1	C1	C2	H1	113.7°	117.2°
O1	C1	O5	H1	108.3°	116.9°
O1	C1	C2	N2	172.3°	165.4°
O1	C1	C2	C3	49.8°	71.0°
O1	C1	C2	H2	56.1°	49.6°
O1	C1	O5	C5	58.7°	64.0°
C2	C1	O5	H1	108.0°	120.2°
C2	C1	O1	HO1	180.0°	145.0°
C1	C2	N2	C3	130.9°	123.2°
C1	C2	N2	H2	116.3°	118.9°
C1	C2	C3	H2	105.9°	121.4°
C1	C2	N2	C7	113.8°	88.9°
C1	C2	N2	HN2	66.2°	91.1°
C1	C2	C3	O3	176.7°	174.0°
C1	C2	C3	C4	59.4°	51.3°
C1	C2	C3	H3	57.8°	69.8°
C2	C1	O5	C5	85.0°	58.9°
O5	C1	O1	HO1	42.0°	91.3°
O5	C1	C2	N2	49.3°	70.1°
O5	C1	C2	C3	88.5°	53.6°
O5	C1	C2	H2	165.6°	174.1°
C1	O5	C5	C4	56.8°	59.4°
C1	O5	C5	C6	171.7°	178.0°
C1	O5	C5	H5	64.9°	62.5°
H1	C1	O1	HO1	66.3°	25.6°
H1	C1	C2	N2	58.7°	48.2°
H1	C1	C2	C3	163.4°	171.8°
H1	C1	C2	H2	57.6°	67.6°
H1	C1	O5	C5	166.9°	179.1°
N2	C2	C3	H2	112.8°	115.8°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	O7	89.4°	0.0°
C2	N2	C7	C8	93.3°	179.9°
N2	C2	C3	O3	35.5°	51.2°
N2	C2	C3	C4	81.9°	71.5°
N2	C2	C3	H3	160.9°	167.4°
C3	C2	N2	C7	115.3°	147.8°
C3	C2	N2	HN2	64.8°	32.2°
C2	C3	O3	C4	114.2°	123.2°
C2	C3	O3	H3	125.4°	118.4°
C2	C3	C4	H3	117.2°	121.3°
C2	C3	O3	HO3	180.0°	133.5°
C2	C3	C4	O4	176.9°	172.0°
C2	C3	C4	C5	49.4°	51.5°
C2	C3	C4	H4	64.3°	71.1°
H2	C2	N2	C7	2.4°	30.0°
H2	C2	N2	HN2	177.6°	150.0°
H2	C2	C3	O3	77.4°	64.6°
H2	C2	C3	C4	165.3°	172.7°
H2	C2	C3	H3	48.1°	51.7°
N2	C7	O7	C8	177.4°	180.0°
N2	C7	C8	H81	180.0°	120.8°
N2	C7	C8	H82	54.7°	120.5°
N2	C7	C8	H83	54.7°	0.1°
HN2	N2	C7	O7	90.6°	180.0°
HN2	N2	C7	C8	86.7°	0.1°
O7	C7	C8	H81	2.5°	59.2°
O7	C7	C8	H82	122.8°	59.4°
O7	C7	C8	H83	127.7°	179.9°
C7	C8	H81	H82	125.3°	122.7°
C7	C8	H81	H83	125.2°	126.4°
C7	C8	H82	H83	114.7°	126.3°
H81	C8	H82	H83	114.7°	110.9°
O3	C3	C4	H3	120.4°	116.5°
O3	C3	C4	O4	54.5°	65.8°
O3	C3	C4	C5	171.9°	173.7°
O3	C3	C4	H4	58.1°	51.1°
C4	C3	O3	HO3	65.8°	10.3°
C3	C4	O4	C5	135.6°	120.5°
C3	C4	O4	H4	112.6°	118.6°
C3	C4	C5	H4	113.7°	122.0°
C3	C4	O4	HO4	180.0°	133.7°
C3	C4	C5	C6	164.7°	173.9°
C3	C4	C5	O5	48.1°	54.4°
C3	C4	C5	H5	73.5°	67.0°
H3	C3	O3	HO3	54.6°	108.1°
H3	C3	C4	O4	65.9°	50.7°
H3	C3	C4	C5	67.8°	69.8°
H3	C3	C4	H4	178.5°	167.6°
O4	C4	C5	H4	111.8°	118.8°
O4	C4	C5	C6	60.9°	66.9°
O4	C4	C5	O5	177.4°	173.6°
O4	C4	C5	H5	60.9°	52.2°
C5	C4	O4	HO4	44.4°	13.2°
C4	C5	C6	O5	114.8°	121.9°
C4	C5	C6	H5	121.8°	121.0°
C4	C5	O5	H5	121.7°	122.0°
C4	C5	C6	O6	112.5°	179.5°
C4	C5	C6	H61	122.3°	60.0°
C4	C5	C6	H62	12.8°	60.9°
H4	C4	O4	HO4	67.4°	107.7°
H4	C4	C5	C6	50.9°	51.9°
H4	C4	C5	O5	65.6°	67.7°
H4	C4	C5	H5	172.7°	171.0°
C6	C5	O5	H5	123.4°	115.5°
C5	C6	O6	H61	125.3°	119.9°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	120.1°	121.1°
C5	C6	O6	HO6	180.0°	79.0°
O5	C5	C6	O6	132.7°	57.6°
O5	C5	C6	H61	7.4°	61.9°
O5	C5	C6	H62	102.0°	177.2°
H5	C5	C6	O6	9.3°	59.4°
H5	C5	C6	H61	116.0°	179.0°
H5	C5	C6	H62	134.6°	60.1°
O6	C6	H61	H62	120.2°	119.9°
H61	C6	O6	HO6	54.7°	40.9°
H62	C6	O6	HO6	54.7°	161.1°

Definition date:	2006-08-03
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2J0G