46D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6A	C6	sing	1.36Å	1.25Å
O6A	H6A	sing	0.98Å	0.95Å
C6	O6B	doub	1.22Å	1.25Å
C6	C5	sing	1.49Å	1.53Å
C5	O5	sing	1.42Å	1.44Å
C5	C4	sing	1.52Å	1.52Å
C5	H5	sing	1.10Å	1.11Å
O5	C1	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	100.44Å
C1	H1	sing	1.10Å	1.11Å
C2	O2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.10Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.10Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	OP1	sing	1.42Å	1.44Å
C4	H4	sing	1.10Å	1.12Å
OP1	CP1	sing	1.42Å	1.44Å
CP1	OP5	sing	1.43Å	1.44Å
CP1	CP2	sing	1.53Å	1.53Å
CP1	HP1	sing	1.10Å	1.12Å
OP5	CP5	sing	1.43Å	1.44Å
CP5	CP6	sing	1.53Å	1.52Å
CP5	CP4	sing	1.53Å	1.52Å
CP5	HP5	sing	1.10Å	1.12Å
CP6	OP6	sing	1.43Å	1.44Å
CP6	HP61	sing	1.09Å	1.11Å
CP6	HP62	sing	1.10Å	1.11Å
OP6	CP7	sing	1.43Å	1.43Å
CP7	CP9	sing	1.50Å	1.53Å
CP7	CP8	sing	1.52Å	1.53Å
CP7	OP4	sing	1.43Å	1.43Å
CP9	OP7	doub	1.22Å	1.25Å
CP9	OP8	sing	1.36Å	1.25Å
OP8	HP8	sing	0.98Å	0.95Å
CP8	HP81	sing	1.09Å	1.12Å
CP8	HP82	sing	1.09Å	1.12Å
CP8	HP83	sing	1.09Å	1.12Å
OP4	CP4	sing	1.43Å	1.44Å
CP4	CP3	sing	1.53Å	1.53Å
CP4	HP4	sing	1.10Å	1.11Å
CP3	OP3	sing	1.42Å	1.43Å
CP3	CP2	sing	1.53Å	1.53Å
CP3	HP3	sing	1.10Å	1.12Å
OP3	H6	sing	0.97Å	0.95Å
CP2	OP2	sing	1.43Å	1.43Å
CP2	HP2	sing	1.09Å	1.11Å
OP2	H7	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	O6A	H6A	124.0°	111.9°
O6A	C6	O6B	124.0°	124.3°
O6A	C6	C5	117.6°	110.6°
O6B	C6	C5	118.4°	125.1°
C6	C5	O5	108.3°	103.4°
C6	C5	C4	110.3°	111.0°
C6	C5	H5	110.4°	107.9°
O5	C5	C4	111.3°	111.0°
O5	C5	H5	109.4°	110.6°
C5	O5	C1	112.0°	112.4°
C4	C5	H5	107.3°	112.6°
C5	C4	C3	109.5°	110.7°
C5	C4	OP1	109.0°	108.8°
C5	C4	H4	110.1°	110.9°
O5	C1	C2	109.1°	110.3°
O5	C1	O1	60.9°	109.8°
O5	C1	H1	128.1°	110.2°
C2	C1	O1	83.8°	107.9°
C2	C1	H1	114.5°	111.1°
C1	C2	O2	109.3°	109.7°
C1	C2	C3	110.0°	111.2°
C1	C2	H2	109.3°	110.3°
O1	C1	H1	148.0°	107.5°
C1	O1	HO1	60.8°	106.5°
O2	C2	C3	109.6°	109.2°
O2	C2	H2	109.7°	106.5°
C2	O2	HO2	109.2°	106.4°
C3	C2	H2	109.0°	109.9°
C2	C3	O3	108.6°	109.3°
C2	C3	C4	111.2°	111.4°
C2	C3	H3	108.9°	110.9°
O3	C3	C4	109.3°	108.4°
O3	C3	H3	110.7°	106.4°
C3	O3	HO3	108.6°	106.4°
C4	C3	H3	108.2°	110.3°
C3	C4	OP1	110.3°	109.1°
C3	C4	H4	108.8°	109.8°
OP1	C4	H4	109.2°	107.4°
C4	OP1	CP1	112.2°	111.4°
OP1	CP1	OP5	110.4°	110.7°
OP1	CP1	CP2	109.2°	108.7°
OP1	CP1	HP1	109.2°	107.2°
OP5	CP1	CP2	110.0°	110.4°
OP5	CP1	HP1	108.4°	109.1°
CP1	OP5	CP5	111.6°	112.0°
CP2	CP1	HP1	109.6°	110.8°
CP1	CP2	CP3	110.0°	110.2°
CP1	CP2	OP2	109.2°	108.1°
CP1	CP2	HP2	109.1°	111.5°
OP5	CP5	CP6	111.3°	110.0°
OP5	CP5	CP4	110.7°	111.5°
OP5	CP5	HP5	106.4°	108.5°
CP6	CP5	CP4	106.3°	109.8°
CP6	CP5	HP5	110.8°	107.2°
CP5	CP6	OP6	109.6°	112.0°
CP5	CP6	HP61	112.2°	111.4°
CP5	CP6	HP62	112.2°	110.4°
CP4	CP5	HP5	111.3°	109.8°
CP5	CP4	OP4	109.3°	108.8°
CP5	CP4	CP3	108.1°	110.0°
CP5	CP4	HP4	110.8°	111.2°
OP6	CP6	HP61	112.1°	107.5°
OP6	CP6	HP62	112.1°	108.8°
CP6	OP6	CP7	114.3°	113.8°
HP61	CP6	HP62	98.2°	106.6°
OP6	CP7	CP9	111.4°	103.1°
OP6	CP7	CP8	107.6°	112.3°
OP6	CP7	OP4	110.9°	116.3°
CP9	CP7	CP8	108.2°	109.9°
CP9	CP7	OP4	111.0°	104.6°
CP7	CP9	OP7	117.0°	125.0°
CP7	CP9	OP8	117.2°	110.7°
CP8	CP7	OP4	107.6°	110.0°
CP7	CP8	HP81	107.6°	110.6°
CP7	CP8	HP82	112.9°	110.6°
CP7	CP8	HP83	112.9°	110.6°
CP7	OP4	CP4	113.4°	112.5°
OP7	CP9	OP8	125.8°	124.3°
CP9	OP8	HP8	117.2°	111.9°
HP81	CP8	HP82	112.9°	108.4°
HP81	CP8	HP83	112.9°	108.4°
HP82	CP8	HP83	97.5°	108.3°
OP4	CP4	CP3	110.2°	109.8°
OP4	CP4	HP4	108.7°	108.1°
CP3	CP4	HP4	109.9°	108.8°
CP4	CP3	OP3	109.1°	109.3°
CP4	CP3	CP2	110.5°	110.2°
CP4	CP3	HP3	108.9°	110.0°
OP3	CP3	CP2	109.3°	110.1°
OP3	CP3	HP3	110.2°	106.9°
CP3	OP3	H6	109.0°	106.6°
CP2	CP3	HP3	108.8°	110.2°
CP3	CP2	OP2	109.0°	109.5°
CP3	CP2	HP2	109.4°	111.2°
OP2	CP2	HP2	110.2°	106.3°
CP2	OP2	H7	109.2°	106.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6A	C6	O6B	C5	179.4°	179.9°
O6A	C6	C5	O5	84.2°	147.3°
O6A	C6	C5	C4	153.9°	93.6°
O6A	C6	C5	H5	35.5°	30.1°
H6A	O6A	C6	O6B	180.0°	0.0°
H6A	O6A	C6	C5	0.6°	179.9°
O6B	C6	C5	O5	95.3°	32.8°
O6B	C6	C5	C4	26.6°	86.3°
O6B	C6	C5	H5	145.0°	150.0°
C6	C5	O5	C4	121.3°	119.1°
C6	C5	O5	H5	120.3°	115.2°
C6	C5	C4	H5	120.3°	121.0°
C6	C5	O5	C1	176.1°	178.2°
C6	C5	C4	C3	175.3°	169.0°
C6	C5	C4	OP1	64.0°	71.1°
C6	C5	C4	H4	55.8°	46.8°
O5	C5	C4	H5	119.6°	124.6°
C5	O5	C1	C2	63.1°	62.3°
C5	O5	C1	O1	134.3°	178.9°
C5	O5	C1	H1	82.9°	60.7°
O5	C5	C4	C3	55.1°	54.6°
O5	C5	C4	OP1	175.9°	174.5°
O5	C5	C4	H4	64.4°	67.5°
C4	C5	O5	C1	62.6°	62.7°
C5	C4	C3	C2	51.4°	48.3°
C5	C4	C3	O3	171.3°	168.6°
C5	C4	C3	OP1	119.9°	119.7°
C5	C4	C3	H4	120.3°	122.8°
C5	C4	C3	H3	68.1°	75.3°
C5	C4	OP1	H4	120.3°	120.2°
C5	C4	OP1	CP1	137.4°	120.2°
H5	C5	O5	C1	55.8°	63.0°
H5	C5	C4	C3	64.4°	70.0°
H5	C5	C4	OP1	56.3°	49.9°
H5	C5	C4	H4	176.0°	167.9°
O5	C1	C2	O1	56.3°	120.0°
O5	C1	C2	H1	151.1°	122.4°
O5	C1	O1	H1	116.2°	119.8°
O5	C1	C2	O2	178.2°	175.4°
O5	C1	C2	C3	57.8°	54.5°
O5	C1	C2	H2	61.7°	67.6°
O5	C1	O1	HO1	180.0°	83.7°
C2	C1	O1	H1	127.9°	119.9°
C1	C2	O2	C3	120.6°	122.1°
C1	C2	O2	H2	119.8°	119.3°
C1	C2	C3	H2	119.8°	122.4°
C1	C2	O2	HO2	180.0°	33.2°
C1	C2	C3	O3	173.6°	168.3°
C1	C2	C3	C4	53.4°	48.6°
C1	C2	C3	H3	65.7°	74.7°
C2	C1	O1	HO1	64.2°	36.6°
O1	C1	C2	O2	125.6°	64.6°
O1	C1	C2	C3	114.1°	174.5°
O1	C1	C2	H2	5.5°	52.3°
H1	C1	C2	O2	27.1°	52.9°
H1	C1	C2	C3	93.3°	68.0°
H1	C1	C2	H2	147.1°	169.9°
H1	C1	O1	HO1	63.7°	156.5°
O2	C2	C3	H2	120.1°	116.5°
O2	C2	C3	O3	66.3°	70.5°
O2	C2	C3	C4	173.5°	169.7°
O2	C2	C3	H3	54.4°	46.5°
C3	C2	O2	HO2	59.5°	155.3°
C2	C3	O3	C4	121.4°	121.6°
C2	C3	O3	H3	119.5°	119.8°
C2	C3	C4	H3	119.5°	123.6°
C2	C3	O3	HO3	180.0°	58.4°
C2	C3	C4	OP1	171.3°	168.0°
C2	C3	C4	H4	68.9°	74.5°
H2	C2	O2	HO2	60.1°	86.1°
H2	C2	C3	O3	53.8°	46.0°
H2	C2	C3	C4	66.4°	73.8°
H2	C2	C3	H3	174.5°	162.9°
O3	C3	C4	H3	120.6°	116.1°
O3	C3	C4	OP1	68.8°	71.7°
O3	C3	C4	H4	51.0°	45.7°
C4	C3	O3	HO3	58.6°	63.2°
C3	C4	OP1	H4	119.5°	118.9°
C3	C4	OP1	CP1	102.4°	118.9°
H3	C3	O3	HO3	60.5°	178.2°
H3	C3	C4	OP1	51.8°	44.4°
H3	C3	C4	H4	171.6°	161.9°
C4	OP1	CP1	OP5	74.7°	58.8°
C4	OP1	CP1	CP2	164.2°	179.8°
C4	OP1	CP1	HP1	44.3°	60.0°
H4	C4	OP1	CP1	17.1°	0.0°
OP1	CP1	OP5	CP2	120.6°	120.4°
OP1	CP1	OP5	HP1	119.6°	117.6°
OP1	CP1	CP2	HP1	119.6°	117.5°
OP1	CP1	OP5	CP5	178.2°	178.3°
OP1	CP1	CP2	CP3	177.2°	178.4°
OP1	CP1	CP2	OP2	57.7°	58.8°
OP1	CP1	CP2	HP2	62.8°	57.7°
OP5	CP1	CP2	HP1	119.1°	120.9°
CP1	OP5	CP5	CP6	178.1°	176.8°
CP1	OP5	CP5	CP4	63.9°	61.2°
CP1	OP5	CP5	HP5	57.3°	59.8°
OP5	CP1	CP2	CP3	55.9°	56.8°
OP5	CP1	CP2	OP2	63.7°	62.8°
OP5	CP1	CP2	HP2	175.8°	179.3°
CP2	CP1	OP5	CP5	61.2°	61.4°
CP1	CP2	CP3	CP4	54.0°	52.8°
CP1	CP2	CP3	OP3	174.0°	173.5°
CP1	CP2	CP3	OP2	119.7°	118.8°
CP1	CP2	CP3	HP2	119.8°	124.1°
CP1	CP2	CP3	HP3	65.6°	68.8°
CP1	CP2	OP2	HP2	119.8°	119.8°
CP1	CP2	OP2	H7	180.0°	159.4°
HP1	CP1	OP5	CP5	58.6°	60.6°
HP1	CP1	CP2	CP3	63.2°	64.1°
HP1	CP1	CP2	OP2	177.3°	176.3°
HP1	CP1	CP2	HP2	56.8°	59.8°
OP5	CP5	CP6	CP4	120.7°	123.0°
OP5	CP5	CP6	HP5	118.2°	117.8°
OP5	CP5	CP4	HP5	118.2°	120.3°
OP5	CP5	CP6	OP6	179.1°	139.2°
OP5	CP5	CP6	HP61	53.9°	18.8°
OP5	CP5	CP6	HP62	55.6°	99.4°
OP5	CP5	CP4	OP4	179.3°	176.2°
OP5	CP5	CP4	CP3	59.4°	55.9°
OP5	CP5	CP4	HP4	61.1°	64.8°
CP6	CP5	CP4	HP5	120.8°	117.6°
CP5	CP6	OP6	HP61	125.3°	122.6°
CP5	CP6	OP6	HP62	125.3°	122.3°
CP5	CP6	HP61	HP62	118.1°	120.5°
CP5	CP6	OP6	CP7	57.0°	38.8°
CP6	CP5	CP4	OP4	59.7°	61.6°
CP6	CP5	CP4	CP3	179.6°	178.0°
CP6	CP5	CP4	HP4	59.9°	57.3°
CP4	CP5	CP6	OP6	58.5°	16.2°
CP4	CP5	CP6	HP61	66.8°	104.2°
CP4	CP5	CP6	HP62	176.3°	137.6°
CP5	CP4	OP4	CP7	59.2°	49.7°
CP5	CP4	OP4	CP3	118.6°	120.5°
CP5	CP4	OP4	HP4	121.0°	120.9°
CP5	CP4	CP3	HP4	121.0°	122.1°
CP5	CP4	CP3	OP3	175.1°	173.2°
CP5	CP4	CP3	CP2	55.0°	51.9°
CP5	CP4	CP3	HP3	64.5°	69.7°
HP5	CP5	CP6	OP6	62.6°	103.0°
HP5	CP5	CP6	HP61	172.1°	136.6°
HP5	CP5	CP6	HP62	62.6°	18.4°
HP5	CP5	CP4	OP4	61.1°	56.0°
HP5	CP5	CP4	CP3	58.8°	64.4°
HP5	CP5	CP4	HP4	179.3°	174.9°
OP6	CP6	HP61	HP62	118.0°	116.5°
CP6	OP6	CP7	CP9	71.2°	167.8°
CP6	OP6	CP7	CP8	170.4°	73.9°
CP6	OP6	CP7	OP4	52.9°	54.1°
HP61	CP6	OP6	CP7	68.3°	161.4°
HP62	CP6	OP6	CP7	177.7°	83.5°
OP6	CP7	CP9	CP8	118.0°	119.9°
OP6	CP7	CP9	OP4	124.1°	122.0°
OP6	CP7	CP8	OP4	119.5°	131.2°
OP6	CP7	CP9	OP7	155.7°	120.1°
OP6	CP7	CP9	OP8	24.4°	60.0°
OP6	CP7	CP8	HP81	180.0°	166.3°
OP6	CP7	CP8	HP82	54.7°	46.2°
OP6	CP7	CP8	HP83	54.7°	73.7°
OP6	CP7	OP4	CP4	53.9°	6.1°
CP9	CP7	CP8	OP4	120.0°	114.6°
CP7	CP9	OP7	OP8	179.9°	179.9°
CP7	CP9	OP8	HP8	179.9°	179.9°
CP9	CP7	CP8	HP81	59.5°	52.2°
CP9	CP7	CP8	HP82	65.7°	67.9°
CP9	CP7	CP8	HP83	175.2°	172.2°
CP9	CP7	OP4	CP4	70.5°	119.0°
CP8	CP7	CP9	OP7	86.3°	120.0°
CP8	CP7	CP9	OP8	93.6°	59.9°
CP7	CP8	HP81	HP82	125.3°	121.4°
CP7	CP8	HP81	HP83	125.3°	121.3°
CP7	CP8	HP82	HP83	118.9°	121.3°
CP8	CP7	OP4	CP4	171.3°	123.1°
OP4	CP7	CP9	OP7	31.6°	1.9°
OP4	CP7	CP9	OP8	148.5°	178.0°
OP4	CP7	CP8	HP81	60.5°	62.5°
OP4	CP7	CP8	HP82	174.3°	177.4°
OP4	CP7	CP8	HP83	64.8°	57.5°
CP7	OP4	CP4	CP3	177.8°	170.2°
CP7	OP4	CP4	HP4	61.8°	71.2°
OP7	CP9	OP8	HP8	0.0°	0.0°
HP81	CP8	HP82	HP83	118.8°	117.3°
OP4	CP4	CP3	HP4	119.7°	118.1°
OP4	CP4	CP3	OP3	65.5°	67.1°
OP4	CP4	CP3	CP2	174.3°	171.7°
OP4	CP4	CP3	HP3	54.8°	50.0°
CP4	CP3	OP3	CP2	120.9°	121.3°
CP4	CP3	OP3	HP3	119.6°	119.0°
CP4	CP3	CP2	HP3	119.6°	121.6°
CP4	CP3	OP3	H6	180.0°	128.1°
CP4	CP3	CP2	OP2	65.7°	66.0°
CP4	CP3	CP2	HP2	173.8°	176.9°
HP4	CP4	CP3	OP3	54.1°	51.1°
HP4	CP4	CP3	CP2	66.0°	70.1°
HP4	CP4	CP3	HP3	174.5°	168.2°
OP3	CP3	CP2	HP3	120.4°	117.7°
OP3	CP3	CP2	OP2	54.3°	54.8°
OP3	CP3	CP2	HP2	66.2°	62.4°
CP2	CP3	OP3	H6	59.2°	110.6°
CP3	CP2	OP2	HP2	120.0°	120.2°
CP3	CP2	OP2	H7	59.8°	39.4°
HP3	CP3	OP3	H6	60.4°	9.1°
HP3	CP3	CP2	OP2	174.7°	172.5°
HP3	CP3	CP2	HP2	54.2°	55.3°
HP2	CP2	OP2	H7	60.2°	80.8°

Definition date:	2005-04-11
Last modified:	2021-03-03
Release status:	REL
Processing site:	RCSB
Derived from:	1X1J