2TC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.26Å
C1	C2	sing	1.46Å	1.47Å
C1	C1C	sing	1.52Å	1.54Å
C2	C21	sing	1.43Å	1.48Å
C2	C3	doub	1.37Å	1.38Å
C21	N21	trip	1.14Å	1.17Å
C3	O3	sing	1.34Å	1.35Å
C3	C4	sing	1.50Å	1.53Å
C4	N4	sing	1.47Å	1.51Å
C4	C41	sing	1.52Å	1.57Å
N4	C42	sing	1.47Å	1.47Å
N4	C43	sing	1.47Å	1.46Å
C41	C5	sing	1.53Å	1.54Å
C41	C1C	sing	1.54Å	1.53Å
C5	C51	sing	1.53Å	1.54Å
C51	C6	sing	1.53Å	1.54Å
C51	C1B	sing	1.53Å	1.49Å
C6	C62	sing	1.53Å	1.53Å
C6	O6	sing	1.45Å	1.44Å
C6	C61	sing	1.51Å	1.51Å
O6	C11	sing	1.34Å	1.46Å
C61	C7	sing	1.38Å	1.40Å	Aromatic
C61	C1A	doub	1.40Å	1.38Å	Aromatic
C7	C8	doub	1.39Å	1.40Å	Aromatic
C7	CL7	sing	1.74Å	1.80Å
C8	C9	sing	1.38Å	1.42Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C10	O10	sing	1.36Å	1.32Å
C10	C1A	sing	1.40Å	1.39Å	Aromatic
C1A	C11	sing	1.47Å	1.45Å
O11	C11	doub	1.21Å	1.29Å
C1B	C12	sing	1.51Å	1.35Å
C12	O12	doub	1.21Å	1.30Å
C12	C1C	sing	1.52Å	1.53Å
C1C	O1C	sing	1.43Å	1.43Å
O3	H3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
C41	H41	sing	1.09Å	1.10Å
C42	H421	sing	1.09Å	1.10Å
C42	H422	sing	1.09Å	1.10Å
C42	H423	sing	1.09Å	1.10Å
C43	H431	sing	1.09Å	1.10Å
C43	H432	sing	1.09Å	1.10Å
C43	H433	sing	1.09Å	1.10Å
C5	H51C	sing	1.09Å	1.10Å
C5	H52C	sing	1.09Å	1.10Å
C51	H51	sing	1.09Å	1.10Å
C1B	H1B	sing	1.09Å	1.10Å
C62	H621	sing	1.09Å	1.10Å
C62	H622	sing	1.09Å	1.10Å
C62	H623	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
O10	H10	sing	0.97Å	0.95Å
C1B	H2B	sing	1.09Å	1.10Å
O1C	H1C	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	122.4°	120.9°
O1	C1	C1C	120.9°	121.0°
C2	C1	C1C	116.7°	118.1°
C1	C2	C21	120.9°	120.0°
C1	C2	C3	120.2°	120.2°
C1	C1C	C41	109.1°	107.3°
C1	C1C	C12	112.7°	107.8°
C1	C1C	O1C	108.9°	111.0°
C21	C2	C3	118.8°	119.9°
C2	C21	N21	178.3°	180.0°
C2	C3	O3	117.9°	118.8°
C2	C3	C4	123.8°	122.4°
O3	C3	C4	118.2°	118.8°
C3	O3	H3	109.5°	117.0°
C3	C4	N4	115.1°	109.1°
C3	C4	C41	113.1°	111.5°
C3	C4	H4	104.0°	109.1°
N4	C4	C41	113.5°	109.1°
C4	N4	C42	113.0°	110.9°
C4	N4	C43	117.7°	111.0°
N4	C4	H4	103.6°	109.1°
C4	C41	C5	112.5°	110.5°
C4	C41	C1C	115.0°	109.7°
C41	C4	H4	106.1°	109.0°
C4	C41	H41	103.1°	109.2°
C42	N4	C43	106.8°	111.0°
N4	C42	H421	109.5°	109.5°
N4	C42	H422	109.5°	109.4°
N4	C42	H423	109.5°	109.5°
N4	C43	H431	109.5°	109.5°
N4	C43	H432	109.5°	109.5°
N4	C43	H433	109.4°	109.5°
C5	C41	C1C	108.9°	109.5°
C41	C5	C51	111.8°	109.6°
C5	C41	H41	109.9°	109.3°
C41	C5	H51C	108.7°	109.5°
C41	C5	H52C	108.1°	109.5°
C41	C1C	C12	108.8°	107.3°
C41	C1C	O1C	105.8°	111.2°
C1C	C41	H41	107.1°	108.6°
C5	C51	C6	115.5°	109.5°
C5	C51	C1B	106.2°	109.5°
C51	C5	H51C	108.7°	109.4°
C51	C5	H52C	108.2°	109.4°
C5	C51	H51	109.2°	109.4°
C6	C51	C1B	113.5°	109.4°
C51	C6	C62	111.2°	110.0°
C51	C6	O6	114.3°	110.1°
C51	C6	C61	115.0°	110.1°
C6	C51	H51	101.1°	109.5°
C51	C1B	C12	113.2°	108.8°
C1B	C51	H51	111.4°	109.4°
C51	C1B	H1B	108.3°	109.6°
C51	C1B	H2B	107.4°	109.6°
C62	C6	O6	106.4°	110.1°
C62	C6	C61	106.2°	110.1°
C6	C62	H621	109.5°	109.5°
C6	C62	H622	109.5°	109.4°
C6	C62	H623	109.4°	109.5°
O6	C6	C61	102.9°	106.4°
C6	O6	C11	112.2°	109.0°
C6	C61	C7	129.5°	133.4°
C6	C61	C1A	109.5°	106.3°
O6	C11	C1A	103.8°	110.2°
O6	C11	O11	132.1°	124.9°
C7	C61	C1A	120.9°	120.3°
C61	C7	C8	117.1°	120.0°
C61	C7	CL7	122.4°	120.0°
C61	C1A	C10	122.3°	119.4°
C61	C1A	C11	111.4°	108.1°
C8	C7	CL7	120.5°	120.0°
C7	C8	C9	121.5°	120.3°
C7	C8	H8	119.2°	119.8°
C8	C9	C10	119.7°	120.3°
C9	C8	H8	119.2°	119.8°
C8	C9	H9	120.2°	119.9°
C9	C10	O10	121.9°	120.1°
C9	C10	C1A	118.3°	119.6°
C10	C9	H9	120.1°	119.9°
O10	C10	C1A	119.8°	120.2°
C10	O10	H10	109.5°	114.0°
C10	C1A	C11	126.2°	132.5°
C1A	C11	O11	124.0°	124.9°
C1B	C12	O12	118.3°	121.1°
C1B	C12	C1C	118.6°	118.1°
C12	C1B	H1B	108.3°	109.6°
C12	C1B	H2B	107.4°	109.5°
O12	C12	C1C	123.1°	120.8°
C12	C1C	O1C	111.3°	112.1°
C1C	O1C	H1C	109.5°	114.0°
H421	C42	H422	109.5°	109.4°
H421	C42	H423	109.4°	109.5°
H422	C42	H423	109.5°	109.5°
H431	C43	H432	109.5°	109.5°
H431	C43	H433	109.5°	109.5°
H432	C43	H433	109.5°	109.5°
H51C	C5	H52C	111.3°	109.4°
H1B	C1B	H2B	112.4°	109.7°
H621	C62	H622	109.5°	109.5°
H621	C62	H623	109.5°	109.5°
H622	C62	H623	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C1C	177.9°	179.8°
O1	C1	C2	C21	21.7°	11.9°
O1	C1	C2	C3	161.2°	168.1°
O1	C1	C1C	C41	133.4°	138.0°
O1	C1	C1C	C12	12.5°	22.7°
O1	C1	C1C	O1C	111.5°	100.3°
C1	C2	C21	C3	177.1°	180.0°
C1	C2	C21	N21	179.9°	87.9°
C1	C2	C3	O3	178.0°	179.3°
C1	C2	C3	C4	5.2°	0.8°
C2	C1	C1C	C41	48.6°	42.2°
C2	C1	C1C	C12	169.6°	157.4°
C2	C1	C1C	O1C	66.4°	79.5°
C1C	C1	C2	C21	156.2°	167.9°
C1C	C1	C2	C3	20.9°	12.1°
C1	C1C	C41	C4	52.3°	62.1°
C1	C1C	C41	C5	75.0°	59.3°
C1	C1C	C41	C12	123.3°	115.6°
C1	C1C	C41	O1C	117.0°	121.5°
C1	C1C	C12	C1B	70.5°	62.6°
C1	C1C	C12	O12	111.8°	117.4°
C1	C1C	C12	O1C	122.7°	122.4°
C1	C1C	C41	H41	166.2°	178.6°
C1	C1C	O1C	H1C	68.8°	60.0°
C21	C2	C3	O3	0.9°	0.8°
C21	C2	C3	C4	177.7°	179.2°
C3	C2	C21	N21	3.0°	92.2°
C2	C3	O3	C4	176.9°	179.9°
C2	C3	C4	N4	133.7°	98.7°
C2	C3	C4	C41	0.9°	21.8°
C2	C3	O3	H3	43.6°	0.0°
C2	C3	C4	H4	113.7°	142.2°
O3	C3	C4	N4	49.6°	81.2°
O3	C3	C4	C41	177.7°	158.2°
O3	C3	C4	H4	63.0°	37.8°
C3	C4	N4	C41	132.6°	122.0°
C3	C4	N4	H4	112.9°	119.0°
C3	C4	C41	H4	113.4°	120.4°
C3	C4	N4	C42	155.1°	53.6°
C3	C4	N4	C43	79.7°	177.6°
C3	C4	C41	C5	96.3°	68.1°
C3	C4	C41	C1C	29.2°	52.7°
C4	C3	O3	H3	139.5°	180.0°
C3	C4	C41	H41	145.4°	171.6°
N4	C4	C41	H4	113.1°	119.0°
C4	N4	C42	C43	130.9°	123.9°
N4	C4	C41	C5	130.2°	171.4°
N4	C4	C41	C1C	104.3°	67.8°
N4	C4	C41	H41	11.9°	51.1°
C4	N4	C42	H421	152.6°	60.0°
C4	N4	C42	H422	87.4°	180.0°
C4	N4	C42	H423	32.6°	60.0°
C4	N4	C43	H431	29.6°	54.0°
C4	N4	C43	H432	90.4°	174.0°
C4	N4	C43	H433	149.6°	66.0°
C41	C4	N4	C42	72.3°	175.6°
C41	C4	N4	C43	52.9°	60.4°
C4	C41	C5	C1C	128.7°	120.9°
C4	C41	C5	H41	114.3°	120.3°
C4	C41	C1C	H41	113.9°	119.3°
C4	C41	C5	C51	173.3°	174.5°
C4	C41	C1C	C12	175.6°	177.8°
C4	C41	C1C	O1C	64.7°	59.4°
C4	C41	C5	H51C	66.7°	65.5°
C4	C41	C5	H52C	54.3°	54.5°
C42	N4	C4	H4	42.2°	65.4°
N4	C42	H421	H422	120.0°	119.9°
N4	C42	H421	H423	120.0°	120.0°
N4	C42	H422	H423	120.0°	120.0°
C42	N4	C43	H431	157.8°	69.9°
C42	N4	C43	H432	37.9°	50.1°
C42	N4	C43	H433	82.2°	170.1°
C43	N4	C4	H4	167.5°	58.5°
C43	N4	C42	H421	76.5°	176.0°
C43	N4	C42	H422	43.5°	56.1°
C43	N4	C42	H423	163.5°	63.9°
N4	C43	H431	H432	120.0°	120.0°
N4	C43	H431	H433	120.0°	120.0°
N4	C43	H432	H433	120.0°	120.0°
C5	C41	C1C	H41	118.8°	119.3°
C41	C5	C51	H51C	120.0°	120.1°
C41	C5	C51	H52C	119.0°	120.0°
C41	C5	C51	C6	173.2°	177.0°
C41	C5	C51	C1B	60.0°	63.0°
C5	C41	C1C	C12	48.3°	56.3°
C5	C41	C1C	O1C	168.0°	179.2°
C5	C41	C4	H4	17.1°	52.4°
C41	C5	H51C	H52C	119.0°	120.0°
C41	C5	C51	H51	60.2°	57.0°
C1C	C41	C5	C51	58.0°	64.6°
C41	C1C	C12	C1B	50.5°	52.7°
C41	C1C	C12	O12	127.1°	127.4°
C41	C1C	C12	O1C	116.2°	122.3°
C1C	C41	C4	H4	142.6°	173.2°
C1C	C41	C5	H51C	61.9°	55.5°
C1C	C41	C5	H52C	177.1°	175.4°
C41	C1C	O1C	H1C	174.1°	179.3°
C5	C51	C6	C1B	123.0°	120.1°
C5	C51	C6	H51	117.7°	120.0°
C5	C51	C1B	H51	118.7°	120.0°
C5	C51	C6	C62	65.9°	59.3°
C5	C51	C6	O6	54.6°	62.1°
C5	C51	C6	C61	173.3°	179.2°
C5	C51	C1B	C12	57.7°	54.0°
C51	C5	C41	H41	59.0°	54.2°
C51	C5	H51C	H52C	119.1°	119.8°
C5	C51	C1B	H1B	62.3°	65.9°
C5	C51	C1B	H2B	176.1°	173.7°
C6	C51	C1B	H51	113.3°	120.0°
C51	C6	C62	O6	125.0°	121.5°
C51	C6	C62	C61	125.8°	121.5°
C51	C6	O6	C61	125.4°	119.3°
C51	C6	O6	C11	127.8°	119.3°
C51	C6	C61	C7	54.4°	60.8°
C51	C6	C61	C1A	127.8°	119.2°
C6	C51	C1B	C12	174.3°	174.0°
C6	C51	C5	H51C	66.8°	62.9°
C6	C51	C5	H52C	54.2°	57.0°
C6	C51	C1B	H1B	65.7°	54.2°
C51	C6	C62	H621	15.3°	60.0°
C51	C6	C62	H622	104.7°	180.0°
C51	C6	C62	H623	135.3°	60.0°
C6	C51	C1B	H2B	55.9°	66.2°
C1B	C51	C6	C62	171.1°	179.4°
C1B	C51	C6	O6	68.4°	57.9°
C1B	C51	C6	C61	50.3°	59.1°
C51	C1B	C12	H1B	120.0°	119.9°
C51	C1B	C12	H2B	118.4°	119.8°
C51	C1B	C12	O12	121.5°	128.2°
C51	C1B	C12	C1C	56.3°	51.9°
C1B	C51	C5	H51C	60.0°	57.2°
C1B	C51	C5	H52C	178.9°	177.0°
C51	C1B	H1B	H2B	118.5°	120.3°
C62	C6	O6	C61	111.5°	119.3°
C62	C6	O6	C11	109.1°	119.3°
C62	C6	C61	C7	69.0°	60.7°
C62	C6	C61	C1A	108.7°	119.3°
C62	C6	C51	H51	51.7°	60.7°
C6	C62	H621	H622	120.0°	120.0°
C6	C62	H621	H623	120.0°	120.0°
C6	C62	H622	H623	120.0°	120.0°
O6	C6	C61	C7	179.3°	179.9°
O6	C6	C61	C1A	2.9°	0.1°
C6	O6	C11	C1A	1.1°	0.0°
C6	O6	C11	O11	178.2°	180.0°
O6	C6	C51	H51	172.2°	177.9°
O6	C6	C62	H621	109.8°	178.5°
O6	C6	C62	H622	130.2°	58.5°
O6	C6	C62	H623	10.2°	61.5°
C61	C6	O6	C11	2.4°	0.1°
C6	C61	C7	C1A	177.5°	180.0°
C6	C61	C7	C8	179.1°	180.0°
C6	C61	C7	CL7	2.1°	0.1°
C6	C61	C1A	C10	179.8°	180.0°
C6	C61	C1A	C11	2.5°	0.0°
C61	C6	C51	H51	69.0°	60.8°
C61	C6	C62	H621	141.0°	61.5°
C61	C6	C62	H622	21.0°	58.5°
C61	C6	C62	H623	99.0°	178.5°
O6	C11	C1A	C61	0.9°	0.0°
O6	C11	C1A	C10	178.6°	179.9°
O6	C11	C1A	O11	177.5°	180.0°
C61	C7	C8	CL7	178.8°	180.0°
C61	C7	C8	C9	0.9°	0.0°
C7	C61	C1A	C10	1.8°	0.0°
C7	C61	C1A	C11	179.6°	179.9°
C61	C7	C8	H8	179.1°	180.0°
C1A	C61	C7	C8	1.6°	0.0°
C1A	C61	C7	CL7	179.6°	180.0°
C61	C1A	C10	C9	1.1°	0.0°
C61	C1A	C10	O10	179.1°	180.0°
C61	C1A	C10	C11	177.4°	179.9°
C61	C1A	C11	O11	176.6°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.3°	0.0°
C7	C8	C9	H9	179.7°	180.0°
CL7	C7	C8	C9	179.7°	180.0°
CL7	C7	C8	H8	0.3°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	O10	179.9°	180.0°
C8	C9	C10	C1A	0.4°	0.0°
C9	C10	O10	C1A	179.7°	180.0°
C9	C10	C1A	C11	178.6°	179.9°
C10	C9	C8	H8	179.7°	180.0°
C9	C10	O10	H10	143.4°	90.0°
O10	C10	C1A	C11	1.7°	0.1°
O10	C10	C9	H9	0.1°	0.0°
C10	C1A	C11	O11	1.1°	0.0°
C1A	C10	C9	H9	179.6°	180.0°
C1A	C10	O10	H10	36.3°	90.0°
C1B	C12	O12	C1C	177.7°	179.9°
C1B	C12	C1C	O1C	166.8°	175.0°
C12	C1B	C51	H51	61.0°	66.0°
C12	C1B	H1B	H2B	118.5°	120.3°
O12	C12	C1C	O1C	10.9°	5.1°
O12	C12	C1B	H1B	118.5°	112.0°
O12	C12	C1B	H2B	3.1°	8.4°
C12	C1C	C41	H41	70.5°	62.9°
C1C	C12	C1B	H1B	63.7°	68.0°
C1C	C12	C1B	H2B	174.7°	171.7°
C12	C1C	O1C	H1C	56.1°	60.7°
O1C	C1C	C41	H41	49.2°	59.9°
H4	C4	C41	H41	101.2°	67.9°
H41	C41	C5	H51C	179.0°	174.3°
H41	C41	C5	H52C	60.0°	65.8°
H421	C42	H422	H423	120.0°	120.0°
H431	C43	H432	H433	120.0°	120.0°
H51C	C5	C51	H51	179.8°	177.1°
H52C	C5	C51	H51	58.8°	63.0°
H51	C51	C1B	H1B	179.0°	174.1°
H51	C51	C1B	H2B	57.4°	53.7°
H621	C62	H622	H623	120.0°	120.0°
H8	C8	C9	H9	0.3°	0.0°

Definition date:	2010-02-18
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	2X6O