BD1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.49Å	1.52Å
C1	C6	doub	1.29Å	1.34Å
C1	H1	sing	1.08Å	1.06Å
C2	C3	sing	1.53Å	1.54Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
C3	O3	sing	1.46Å	1.44Å
C3	C4	sing	1.54Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
O3	C7	sing	1.44Å	1.45Å
C4	O4	sing	1.43Å	1.44Å
C4	C5	sing	1.51Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
O4	C7	sing	1.44Å	1.45Å
C5	C6	sing	1.50Å	1.51Å
C5	H5C1	sing	1.09Å	1.10Å
C5	H5C2	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.06Å
C7	O1	sing	1.43Å	1.45Å
C7	H7	sing	1.09Å	1.10Å
O1	HA	sing	0.97Å	0.99Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.2°	124.6°
C2	C1	H1	120.4°	117.7°
C1	C2	C3	112.7°	112.6°
C1	C2	H2C1	108.7°	108.8°
C1	C2	H2C2	107.6°	108.8°
C6	C1	H1	120.4°	117.7°
C1	C6	C5	116.0°	123.4°
C1	C6	H6	122.0°	118.3°
C3	C2	H2C1	108.6°	108.9°
C3	C2	H2C2	107.6°	108.9°
C2	C3	O3	111.9°	105.1°
C2	C3	C4	113.1°	110.6°
C2	C3	H3	103.7°	113.0°
H2C1	C2	H2C2	111.7°	108.7°
O3	C3	C4	104.3°	100.5°
O3	C3	H3	112.6°	113.5°
C3	O3	C7	107.1°	106.5°
C4	C3	H3	111.4°	113.2°
C3	C4	O4	104.5°	102.2°
C3	C4	C5	110.7°	112.9°
C3	C4	H4	113.4°	110.3°
O3	C7	O4	106.5°	108.6°
O3	C7	O1	110.5°	109.6°
O3	C7	H7	111.6°	109.6°
O4	C4	C5	113.3°	114.3°
O4	C4	H4	110.7°	107.9°
C4	O4	C7	109.3°	103.5°
C5	C4	H4	104.5°	109.0°
C4	C5	C6	106.0°	113.6°
C4	C5	H5C1	110.3°	107.9°
C4	C5	H5C2	111.5°	109.0°
O4	C7	O1	111.8°	109.7°
O4	C7	H7	110.2°	109.6°
C6	C5	H5C1	110.4°	108.8°
C6	C5	H5C2	111.5°	108.8°
C5	C6	H6	122.0°	118.3°
H5C1	C5	H5C2	107.2°	108.6°
O1	C7	H7	106.2°	109.6°
C7	O1	HA	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	H2C1	120.5°	120.8°
C1	C2	C3	H2C2	118.5°	120.8°
C1	C2	H2C1	H2C2	118.6°	118.4°
C1	C2	C3	O3	92.3°	150.3°
C1	C2	C3	C4	25.3°	42.6°
C1	C2	C3	H3	146.1°	85.5°
C2	C1	C6	C5	1.2°	1.7°
C2	C1	C6	H6	178.8°	178.3°
C6	C1	C2	C3	42.1°	17.7°
C6	C1	C2	H2C1	162.5°	138.6°
C6	C1	C2	H2C2	76.4°	103.1°
C1	C6	C5	C4	51.9°	12.4°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	H5C1	67.5°	107.9°
C1	C6	C5	H5C2	173.4°	134.0°
H1	C1	C2	C3	137.9°	162.2°
H1	C1	C2	H2C1	17.5°	41.3°
H1	C1	C2	H2C2	103.6°	77.0°
H1	C1	C6	C5	178.8°	178.3°
H1	C1	C6	H6	1.2°	1.8°
C3	C2	H2C1	H2C2	118.5°	118.5°
C2	C3	O3	C4	122.7°	114.9°
C2	C3	O3	H3	116.4°	123.9°
C2	C3	C4	H3	116.4°	128.0°
C2	C3	O3	C7	93.6°	87.7°
C2	C3	C4	O4	96.3°	69.0°
C2	C3	C4	C5	26.0°	54.3°
C2	C3	C4	H4	143.1°	176.5°
H2C1	C2	C3	O3	28.2°	88.9°
H2C1	C2	C3	C4	145.7°	163.4°
H2C1	C2	C3	H3	93.4°	35.3°
H2C2	C2	C3	O3	149.3°	29.5°
H2C2	C2	C3	C4	93.2°	78.2°
H2C2	C2	C3	H3	27.7°	153.7°
O3	C3	C4	H3	121.7°	121.3°
O3	C3	C4	O4	25.6°	41.7°
O3	C3	C4	C5	147.9°	165.0°
O3	C3	C4	H4	95.0°	72.8°
C3	O3	C7	O4	21.7°	3.7°
C3	O3	C7	O1	143.4°	123.6°
C3	O3	C7	H7	98.7°	116.0°
C4	C3	O3	C7	29.1°	27.2°
C3	C4	O4	C5	120.6°	122.4°
C3	C4	O4	H4	122.4°	116.2°
C3	C4	C5	H4	122.4°	122.9°
C3	C4	O4	C7	12.7°	39.8°
C3	C4	C5	C6	65.0°	38.7°
C3	C4	C5	H5C1	54.4°	82.1°
C3	C4	C5	H5C2	173.4°	160.1°
H3	C3	O3	C7	150.0°	148.3°
H3	C3	C4	O4	147.3°	163.0°
H3	C3	C4	C5	90.4°	73.7°
H3	C3	C4	H4	26.7°	48.5°
O3	C7	O4	C4	4.8°	23.7°
O3	C7	O4	O1	120.8°	119.8°
O3	C7	O4	H7	121.2°	119.7°
O3	C7	O1	H7	121.2°	120.4°
O3	C7	O1	HA	19.1°	179.7°
O4	C4	C5	H4	120.6°	120.8°
O4	C4	C5	C6	52.0°	77.6°
O4	C4	C5	H5C1	171.4°	161.6°
O4	C4	C5	H5C2	69.5°	43.8°
C4	O4	C7	O1	125.6°	96.2°
C4	O4	C7	H7	116.4°	143.4°
C5	C4	O4	C7	133.4°	162.2°
C4	C5	C6	H5C1	119.4°	120.3°
C4	C5	C6	H5C2	121.5°	121.6°
C4	C5	H5C1	H5C2	121.6°	118.0°
C4	C5	C6	H6	128.1°	167.6°
H4	C4	O4	C7	109.6°	76.4°
H4	C4	C5	C6	172.6°	161.6°
H4	C4	C5	H5C1	68.0°	40.8°
H4	C4	C5	H5C2	51.1°	77.0°
O4	C7	O1	H7	120.3°	120.4°
O4	C7	O1	HA	99.4°	61.1°
C6	C5	H5C1	H5C2	121.6°	118.3°
H5C1	C5	C6	H6	112.5°	72.2°
H5C2	C5	C6	H6	6.5°	46.0°
H7	C7	O1	HA	140.3°	59.3°

Definition date:	2003-03-14
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	1HL7