TX6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C22	O21	sing	1.43Å	1.43Å
O21	C14	sing	1.36Å	1.38Å
N13	C14	doub	1.33Å	1.35Å	Aromatic
N13	C12	sing	1.32Å	1.35Å	Aromatic
C20	C12	sing	1.51Å	1.51Å
C14	C8	sing	1.40Å	1.39Å	Aromatic
C12	N11	doub	1.32Å	1.35Å	Aromatic
C8	C7	sing	1.50Å	1.52Å
C8	C9	doub	1.37Å	1.40Å	Aromatic
N11	C9	sing	1.33Å	1.36Å	Aromatic
C7	C6	sing	1.53Å	1.53Å
C9	C10	sing	1.50Å	1.52Å
C1	C10	sing	1.53Å	1.52Å
C1	C2	sing	1.50Å	1.50Å
C10	C5	sing	1.53Å	1.54Å
C10	C19	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.54Å
C2	C15	sing	1.43Å	1.26Å
C2	C3	doub	1.33Å	1.35Å
C15	N16	trip	1.14Å	1.17Å
C4	C18	sing	1.53Å	1.53Å
C4	C3	sing	1.50Å	1.52Å
C3	O17	sing	1.35Å	1.34Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C19	H4	sing	1.09Å	1.10Å
C19	H5	sing	1.09Å	1.10Å
C19	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.09Å	1.10Å
C20	H8	sing	1.09Å	1.10Å
C20	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C22	H11	sing	1.09Å	1.10Å
C22	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C5	H17	sing	1.09Å	1.10Å
C4	H18	sing	1.09Å	1.10Å
C18	H19	sing	1.09Å	1.10Å
C18	H20	sing	1.09Å	1.10Å
C18	H21	sing	1.09Å	1.10Å
O17	H23	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	O21	C14	121.6°	117.0°
O21	C22	H10	109.5°	109.5°
O21	C22	H11	109.5°	109.5°
O21	C22	H12	109.4°	109.5°
O21	C14	N13	119.7°	120.4°
O21	C14	C8	120.5°	120.4°
C14	N13	C12	120.8°	120.5°
N13	C14	C8	119.8°	119.2°
N13	C12	C20	119.6°	119.2°
N13	C12	N11	120.2°	121.7°
C20	C12	N11	120.2°	119.2°
C12	C20	H7	109.5°	109.4°
C12	C20	H8	109.4°	109.5°
C12	C20	H9	109.5°	109.5°
C14	C8	C7	119.1°	118.7°
C14	C8	C9	119.1°	118.4°
C12	N11	C9	121.6°	121.3°
C7	C8	C9	121.9°	122.9°
C8	C7	C6	111.6°	110.5°
C8	C7	H13	108.9°	109.3°
C8	C7	H14	108.9°	109.3°
C8	C9	N11	118.6°	118.9°
C8	C9	C10	122.5°	122.6°
N11	C9	C10	119.0°	118.5°
C7	C6	C5	108.8°	108.5°
C6	C7	H13	108.9°	109.2°
C6	C7	H14	108.9°	109.3°
C7	C6	H15	109.7°	109.6°
C7	C6	H16	109.6°	109.6°
C9	C10	C1	111.5°	110.0°
C9	C10	C5	111.3°	110.6°
C9	C10	C19	106.5°	109.1°
C10	C1	C2	114.2°	109.8°
C1	C10	C5	104.2°	108.4°
C1	C10	C19	110.6°	109.4°
C10	C1	H2	108.3°	109.4°
C10	C1	H3	108.3°	109.4°
C1	C2	C15	117.6°	118.2°
C1	C2	C3	120.8°	123.6°
C2	C1	H2	108.3°	109.4°
C2	C1	H3	108.3°	109.4°
C5	C10	C19	112.9°	109.4°
C10	C5	C6	110.9°	108.6°
C10	C5	C4	113.2°	108.3°
C10	C5	H17	105.6°	109.9°
C10	C19	H4	109.5°	109.4°
C10	C19	H5	109.5°	109.4°
C10	C19	H6	109.5°	109.5°
C6	C5	C4	115.0°	109.7°
C5	C6	H15	109.6°	109.6°
C5	C6	H16	109.6°	109.6°
C6	C5	H17	105.7°	109.9°
C5	C4	C18	111.5°	109.4°
C5	C4	C3	112.1°	109.8°
C4	C5	H17	105.6°	110.4°
C5	C4	H18	107.7°	109.5°
C15	C2	C3	121.6°	118.2°
C2	C15	N16	173.8°	180.0°
C2	C3	C4	121.3°	123.6°
C2	C3	O17	119.4°	118.2°
C18	C4	C3	109.4°	109.5°
C18	C4	H18	108.0°	109.5°
C4	C18	H19	109.5°	109.5°
C4	C18	H20	109.5°	109.5°
C4	C18	H21	109.5°	109.5°
C4	C3	O17	119.4°	118.2°
C3	C4	H18	108.0°	109.1°
C3	O17	H23	109.5°	114.0°
H2	C1	H3	109.5°	109.4°
H4	C19	H5	109.4°	109.5°
H4	C19	H6	109.5°	109.5°
H5	C19	H6	109.5°	109.5°
H7	C20	H8	109.5°	109.4°
H7	C20	H9	109.4°	109.4°
H8	C20	H9	109.5°	109.5°
H10	C22	H11	109.5°	109.5°
H10	C22	H12	109.5°	109.5°
H11	C22	H12	109.5°	109.5°
H13	C7	H14	109.5°	109.2°
H15	C6	H16	109.5°	109.8°
H19	C18	H20	109.5°	109.4°
H19	C18	H21	109.5°	109.4°
H20	C18	H21	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	O21	C14	N13	5.7°	0.0°
C22	O21	C14	C8	174.4°	180.0°
O21	C22	H10	H11	120.0°	120.0°
O21	C22	H10	H12	120.0°	120.0°
O21	C22	H11	H12	120.0°	120.0°
O21	C14	N13	C8	179.8°	180.0°
O21	C14	N13	C12	179.9°	179.9°
O21	C14	C8	C7	0.1°	0.3°
O21	C14	C8	C9	179.6°	179.9°
C14	O21	C22	H10	180.0°	60.0°
C14	O21	C22	H11	60.0°	60.0°
C14	O21	C22	H12	60.0°	180.0°
C14	N13	C12	C20	179.8°	179.8°
C14	N13	C12	N11	0.3°	0.2°
N13	C14	C8	C7	179.9°	179.7°
N13	C14	C8	C9	0.6°	0.1°
N13	C12	C20	N11	179.9°	180.0°
C12	N13	C14	C8	0.3°	0.1°
N13	C12	N11	C9	0.6°	0.0°
N13	C12	C20	H7	0.0°	90.0°
N13	C12	C20	H8	120.0°	29.9°
N13	C12	C20	H9	120.0°	150.0°
C20	C12	N11	C9	179.5°	180.0°
C12	C20	H7	H8	120.0°	120.0°
C12	C20	H7	H9	120.0°	120.0°
C12	C20	H8	H9	120.0°	120.1°
C14	C8	C7	C9	179.5°	179.8°
C14	C8	C9	N11	0.8°	0.3°
C14	C8	C7	C6	161.0°	162.8°
C14	C8	C9	C10	179.6°	179.7°
C14	C8	C7	H13	78.7°	76.9°
C14	C8	C7	H14	40.7°	42.5°
C12	N11	C9	C8	0.9°	0.2°
C12	N11	C9	C10	179.7°	179.7°
N11	C12	C20	H7	179.8°	90.0°
N11	C12	C20	H8	60.1°	150.0°
N11	C12	C20	H9	59.9°	29.9°
C7	C8	C9	N11	179.6°	179.5°
C8	C7	C6	H13	120.3°	120.3°
C8	C7	C6	H14	120.3°	120.3°
C7	C8	C9	C10	0.8°	0.6°
C8	C7	C6	C5	50.9°	50.6°
C8	C7	H13	H14	119.0°	119.5°
C8	C7	C6	H15	170.8°	170.3°
C8	C7	C6	H16	69.0°	69.1°
C8	C9	N11	C10	178.8°	179.9°
C9	C8	C7	C6	19.5°	17.4°
C8	C9	C10	C1	130.3°	137.2°
C8	C9	C10	C5	14.4°	17.6°
C8	C9	C10	C19	109.0°	102.8°
C9	C8	C7	H13	100.8°	102.8°
C9	C8	C7	H14	139.8°	137.7°
N11	C9	C10	C1	50.9°	42.8°
N11	C9	C10	C5	166.8°	162.5°
N11	C9	C10	C19	69.8°	77.1°
C7	C6	C5	C10	66.7°	69.4°
C7	C6	C5	H15	119.9°	119.7°
C7	C6	C5	H16	119.9°	119.7°
C7	C6	C5	C4	163.3°	172.5°
C6	C7	H13	H14	119.0°	119.5°
C7	C6	H15	H16	120.3°	120.5°
C7	C6	C5	H17	47.3°	50.9°
C9	C10	C1	C5	120.1°	121.0°
C9	C10	C1	C19	118.3°	119.8°
C9	C10	C1	C2	176.0°	171.5°
C9	C10	C5	C19	119.7°	120.2°
C9	C10	C5	C6	46.8°	50.8°
C9	C10	C5	C4	177.7°	169.9°
C9	C10	C1	H2	63.3°	51.4°
C9	C10	C1	H3	55.3°	68.4°
C9	C10	C19	H4	180.0°	179.6°
C9	C10	C19	H5	60.0°	59.6°
C9	C10	C19	H6	60.0°	60.4°
C9	C10	C5	H17	67.2°	69.5°
C10	C1	C2	H2	120.7°	120.1°
C10	C1	C2	H3	120.7°	120.1°
C1	C10	C5	C19	120.1°	119.2°
C1	C10	C5	C6	167.1°	171.5°
C1	C10	C5	C4	62.0°	69.5°
C10	C1	C2	C15	144.7°	162.7°
C10	C1	C2	C3	35.6°	17.0°
C10	C1	H2	H3	117.8°	119.8°
C1	C10	C19	H4	58.7°	60.0°
C1	C10	C19	H5	178.7°	180.0°
C1	C10	C19	H6	61.3°	60.0°
C1	C10	C5	H17	53.0°	51.2°
C2	C1	C10	C5	55.9°	50.6°
C2	C1	C10	C19	65.7°	68.7°
C1	C2	C15	C3	179.8°	179.7°
C1	C2	C15	N16	23.1°	27.1°
C1	C2	C3	C4	15.7°	0.3°
C1	C2	C3	O17	164.6°	180.0°
C2	C1	H2	H3	117.8°	119.8°
C10	C5	C6	C4	130.0°	118.2°
C10	C5	C6	H17	114.0°	120.3°
C10	C5	C4	H17	115.1°	120.4°
C10	C5	C4	C18	167.9°	170.6°
C10	C5	C4	C3	44.9°	50.4°
C5	C10	C1	H2	176.6°	69.6°
C5	C10	C1	H3	64.8°	170.6°
C5	C10	C19	H4	57.6°	58.5°
C5	C10	C19	H5	62.4°	61.4°
C5	C10	C19	H6	177.6°	178.5°
C10	C5	C6	H15	173.4°	170.9°
C10	C5	C6	H16	53.2°	50.3°
C10	C5	C4	H18	73.8°	69.4°
C19	C10	C5	C6	72.9°	69.3°
C19	C10	C5	C4	58.1°	49.7°
C19	C10	C1	H2	55.0°	171.2°
C19	C10	C1	H3	173.6°	51.4°
C10	C19	H4	H5	120.0°	119.9°
C10	C19	H4	H6	120.0°	120.0°
C10	C19	H5	H6	120.0°	120.0°
C19	C10	C5	H17	173.1°	170.4°
C6	C5	C4	H17	116.1°	121.3°
C6	C5	C4	C18	63.2°	71.0°
C6	C5	C4	C3	173.8°	168.7°
C5	C6	C7	H13	69.4°	69.7°
C5	C6	C7	H14	171.2°	170.9°
C5	C6	H15	H16	120.3°	120.5°
C6	C5	C4	H18	55.1°	48.9°
C5	C4	C3	C2	20.0°	16.8°
C5	C4	C18	C3	124.5°	120.4°
C5	C4	C18	H18	118.2°	119.9°
C5	C4	C3	H18	118.5°	120.0°
C5	C4	C3	O17	160.3°	162.9°
C4	C5	C6	H15	43.4°	52.7°
C4	C5	C6	H16	76.8°	67.9°
C5	C4	C18	H19	180.0°	60.0°
C5	C4	C18	H20	60.0°	180.0°
C5	C4	C18	H21	60.0°	59.9°
C15	C2	C3	C4	164.6°	180.0°
C15	C2	C3	O17	15.2°	0.3°
C15	C2	C1	H2	24.0°	77.2°
C15	C2	C1	H3	94.6°	42.6°
C3	C2	C15	N16	157.1°	152.6°
C2	C3	C4	C18	144.1°	137.0°
C2	C3	C4	O17	179.8°	179.7°
C3	C2	C1	H2	156.3°	103.1°
C3	C2	C1	H3	85.1°	137.1°
C2	C3	C4	H18	98.6°	103.2°
C2	C3	O17	H23	180.0°	0.0°
C18	C4	C3	H18	117.3°	119.8°
C18	C4	C3	O17	36.1°	42.7°
C18	C4	C5	H17	52.8°	50.3°
C4	C18	H19	H20	120.0°	120.0°
C4	C18	H19	H21	120.0°	120.0°
C4	C18	H20	H21	120.0°	120.0°
C3	C4	C5	H17	70.1°	70.0°
C3	C4	C18	H19	55.5°	179.5°
C3	C4	C18	H20	64.5°	59.5°
C3	C4	C18	H21	175.5°	60.5°
C4	C3	O17	H23	0.2°	179.7°
O17	C3	C4	H18	81.2°	77.1°
H4	C19	H5	H6	120.0°	120.0°
H7	C20	H8	H9	120.0°	120.0°
H10	C22	H11	H12	120.0°	120.0°
H13	C7	C6	H15	50.5°	50.1°
H13	C7	C6	H16	170.7°	170.6°
H14	C7	C6	H15	68.9°	69.4°
H14	C7	C6	H16	51.3°	51.2°
H15	C6	C5	H17	72.6°	68.8°
H16	C6	C5	H17	167.2°	170.6°
H17	C5	C4	H18	171.1°	170.2°
H18	C4	C18	H19	61.8°	59.9°
H18	C4	C18	H20	178.2°	60.1°
H18	C4	C18	H21	58.2°	179.9°
H19	C18	H20	H21	120.0°	120.0°

Release date:	2016-08-10
Definition date:	2015-08-20
Last modified:	2016-08-05
Release status:	REL
Processing site:	RCSB
Derived from:	5DAD