EDX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N27	C25	doub	1.30Å	1.45Å
C25	N26	sing	1.38Å	1.24Å
C25	N24	sing	1.38Å	1.42Å
N24	C23	sing	1.47Å	1.42Å
C23	C22	sing	1.53Å	1.54Å
C22	C21	sing	1.53Å	1.53Å
C20	C21	sing	1.53Å	1.51Å
C20	C08	sing	1.53Å	1.49Å
O07	C06	doub	1.21Å	1.19Å
C06	C08	sing	1.51Å	1.53Å
C08	N09	sing	1.47Å	1.41Å
C06	O1	sing	1.34Å	1.43Å
C20	H1	sing	1.09Å	1.10Å
C20	H2	sing	1.09Å	1.10Å
C21	H3	sing	1.09Å	1.10Å
C21	H4	sing	1.09Å	1.10Å
C22	H5	sing	1.09Å	1.10Å
C22	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C23	H8	sing	1.09Å	1.10Å
C23	H9	sing	1.09Å	1.10Å
N09	H10	sing	0.97Å	1.00Å
N24	H13	sing	0.97Å	1.00Å
N26	H14	sing	0.97Å	1.00Å
N26	H15	sing	0.97Å	1.00Å
N27	H16	sing	0.97Å	1.00Å
O1	H17	sing	0.97Å	0.95Å
N09	C1	sing	1.35Å	65.63Å
C1	O2	doub	1.22Å	0.00Å
C1	O3	sing	1.35Å	0.00Å
O3	C2	sing	1.45Å	0.00Å
C2	C3	sing	1.51Å	0.00Å
C3	C4	sing	1.38Å	0.00Å	Aromatic
C4	C5	doub	1.38Å	0.00Å	Aromatic
C5	C6	sing	1.38Å	0.00Å	Aromatic
C6	C7	doub	1.38Å	0.00Å	Aromatic
C7	C8	sing	1.38Å	0.00Å	Aromatic
C8	C3	doub	1.38Å	0.00Å	Aromatic
C2	H11	sing	1.09Å	0.00Å
C2	H12	sing	1.09Å	0.00Å
C4	H18	sing	1.08Å	0.00Å
C5	H19	sing	1.08Å	0.00Å
C6	H20	sing	1.08Å	0.00Å
C7	H21	sing	1.08Å	0.00Å
C8	H22	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N27	C25	N26	118.7°	120.1°
N27	C25	N24	130.7°	120.0°
C25	N27	H16	112.0°	120.0°
N26	C25	N24	110.6°	119.9°
C25	N26	H14	120.0°	120.0°
C25	N26	H15	120.0°	119.9°
C25	N24	C23	135.0°	119.9°
C25	N24	H13	112.5°	120.1°
N24	C23	C22	98.8°	109.4°
N24	C23	H8	112.1°	109.5°
N24	C23	H9	112.1°	109.5°
C23	N24	H13	112.5°	120.0°
C23	C22	C21	111.3°	109.5°
C23	C22	H5	109.0°	109.5°
C23	C22	H6	109.0°	109.5°
C22	C23	H8	112.1°	109.5°
C22	C23	H9	112.1°	109.4°
C22	C21	C20	106.3°	109.5°
C22	C21	H3	110.2°	109.5°
C22	C21	H4	110.3°	109.4°
C21	C22	H5	109.0°	109.5°
C21	C22	H6	109.0°	109.4°
C21	C20	C08	115.1°	109.5°
C21	C20	H1	108.0°	109.4°
C21	C20	H2	108.0°	109.5°
C20	C21	H3	110.3°	109.5°
C20	C21	H4	110.3°	109.5°
C20	C08	C06	107.3°	109.5°
C20	C08	N09	107.3°	109.5°
C08	C20	H1	108.0°	109.5°
C08	C20	H2	108.0°	109.5°
C20	C08	H7	111.7°	109.5°
O07	C06	C08	124.7°	120.0°
O07	C06	O1	119.5°	120.0°
C06	C08	N09	106.2°	109.5°
C08	C06	O1	115.8°	120.0°
C06	C08	H7	111.1°	109.5°
N09	C08	H7	112.9°	109.4°
C08	N09	H10	157.1°	120.0°
C08	N09	C1	45.9°	120.0°
C06	O1	H17	109.5°	117.0°
H1	C20	H2	109.5°	109.5°
H3	C21	H4	109.5°	109.5°
H5	C22	H6	109.5°	109.5°
H8	C23	H9	109.5°	109.5°
H10	N09	C1	157.1°	120.0°
H14	N26	H15	120.0°	120.1°
N09	C1	O2	90.0°	119.9°
N09	C1	O3	90.0°	120.0°
O2	C1	O3	90.0°	120.0°
C1	O3	C2	90.0°	117.0°
O3	C2	C3	90.0°	109.5°
O3	C2	H11	90.0°	109.5°
O3	C2	H12	90.0°	109.5°
C2	C3	C4	90.0°	120.0°
C2	C3	C8	90.0°	120.0°
C3	C2	H11	90.0°	109.5°
C3	C2	H12	90.0°	109.5°
C3	C4	C5	90.0°	120.0°
C4	C3	C8	90.0°	120.0°
C3	C4	H18	90.0°	120.1°
C4	C5	C6	90.0°	120.0°
C5	C4	H18	90.0°	119.9°
C4	C5	H19	90.0°	120.0°
C5	C6	C7	90.0°	120.0°
C6	C5	H19	90.0°	120.0°
C5	C6	H20	90.0°	120.0°
C6	C7	C8	90.0°	120.0°
C7	C6	H20	90.0°	120.0°
C6	C7	H21	90.0°	120.1°
C7	C8	C3	90.0°	120.0°
C8	C7	H21	90.0°	120.0°
C7	C8	H22	90.0°	120.0°
C3	C8	H22	90.0°	120.0°
H11	C2	H12	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N27	C25	N26	N24	179.0°	180.0°
N27	C25	N24	C23	0.3°	0.0°
N27	C25	N24	H13	179.7°	180.0°
N27	C25	N26	H14	179.0°	180.0°
N27	C25	N26	H15	1.0°	0.0°
N26	C25	N24	C23	178.6°	180.0°
N26	C25	N24	H13	1.5°	0.0°
C25	N26	H14	H15	180.0°	179.9°
N26	C25	N27	H16	178.8°	180.0°
C25	N24	C23	H13	180.0°	180.0°
C25	N24	C23	C22	176.9°	180.0°
C25	N24	C23	H8	58.7°	60.0°
C25	N24	C23	H9	64.9°	60.0°
N24	C25	N26	H14	0.0°	0.0°
N24	C25	N26	H15	180.0°	180.0°
N24	C25	N27	H16	0.0°	0.0°
N24	C23	C22	H8	118.2°	120.0°
N24	C23	C22	H9	118.2°	120.0°
N24	C23	C22	C21	107.1°	180.0°
N24	C23	C22	H5	132.6°	60.0°
N24	C23	C22	H6	13.2°	60.0°
N24	C23	H8	H9	125.0°	120.1°
C23	C22	C21	H5	120.3°	120.0°
C23	C22	C21	H6	120.3°	120.0°
C23	C22	C21	C20	46.5°	NaN°
C23	C22	C21	H3	166.0°	60.0°
C23	C22	C21	H4	73.0°	60.0°
C23	C22	H5	H6	119.2°	120.0°
C22	C23	H8	H9	125.0°	120.0°
C22	C23	N24	H13	3.1°	0.0°
C22	C21	C20	H3	119.5°	120.0°
C22	C21	C20	H4	119.5°	119.9°
C22	C21	C20	C08	171.3°	180.0°
C22	C21	C20	H1	67.9°	60.0°
C22	C21	C20	H2	50.5°	60.0°
C22	C21	H3	H4	121.5°	120.0°
C21	C22	H5	H6	119.2°	120.0°
C21	C22	C23	H8	11.1°	60.0°
C21	C22	C23	H9	134.7°	60.0°
C21	C20	C08	H1	120.8°	119.9°
C21	C20	C08	H2	120.8°	120.0°
C21	C20	C08	C06	162.0°	175.0°
C21	C20	C08	N09	84.1°	65.0°
C21	C20	H1	H2	117.4°	120.0°
C20	C21	H3	H4	121.5°	120.0°
C20	C21	C22	H5	73.8°	60.0°
C20	C21	C22	H6	166.8°	60.0°
C21	C20	C08	H7	40.1°	55.0°
C20	C08	C06	O07	91.4°	120.0°
C20	C08	C06	N09	114.6°	120.0°
C20	C08	C06	H7	122.3°	120.0°
C20	C08	N09	H7	123.4°	120.0°
C20	C08	C06	O1	90.3°	60.0°
C08	C20	H1	H2	117.4°	120.0°
C08	C20	C21	H3	51.8°	60.0°
C08	C20	C21	H4	69.2°	60.1°
C20	C08	N09	H10	92.6°	25.0°
C20	C08	N09	C1	87.4°	155.0°
O07	C06	C08	O1	178.3°	180.0°
O07	C06	C08	N09	23.2°	0.0°
O07	C06	C08	H7	146.3°	120.0°
O07	C06	O1	H17	0.0°	0.1°
C06	C08	N09	H7	122.0°	120.0°
C06	C08	C20	H1	41.2°	55.1°
C06	C08	C20	H2	77.2°	65.0°
C06	C08	N09	H10	22.0°	95.0°
C08	C06	O1	H17	178.4°	180.0°
C06	C08	N09	C1	158.0°	85.0°
N09	C08	C06	O1	155.2°	180.0°
N09	C08	C20	H1	155.0°	175.0°
N09	C08	C20	H2	36.7°	55.0°
C08	N09	H10	C1	180.0°	180.0°
C08	N09	C1	O2	90.0°	0.0°
C08	N09	C1	O3	90.0°	180.0°
O1	C06	C08	H7	32.0°	60.1°
H1	C20	C21	H3	172.6°	60.0°
H1	C20	C21	H4	51.6°	180.0°
H1	C20	C08	H7	80.8°	65.0°
H2	C20	C21	H3	69.0°	180.0°
H2	C20	C21	H4	170.0°	60.0°
H2	C20	C08	H7	160.9°	175.0°
H3	C21	C22	H5	45.7°	NaN°
H3	C21	C22	H6	73.7°	60.0°
H4	C21	C22	H5	166.7°	60.0°
H4	C21	C22	H6	47.3°	180.0°
H5	C22	C23	H8	109.2°	NaN°
H5	C22	C23	H9	14.4°	60.0°
H6	C22	C23	H8	131.4°	60.0°
H6	C22	C23	H9	105.0°	180.0°
H7	C08	N09	H10	143.9°	145.0°
H7	C08	N09	C1	36.1°	35.0°
H8	C23	N24	H13	121.3°	120.0°
H9	C23	N24	H13	115.2°	119.9°
H10	N09	C1	O2	90.0°	180.0°
H10	N09	C1	O3	90.0°	0.1°
N09	C1	O2	O3	90.0°	180.0°
N09	C1	O3	C2	90.0°	180.0°
O2	C1	O3	C2	90.0°	0.1°
C1	O3	C2	C3	90.0°	180.0°
C1	O3	C2	H11	90.0°	60.0°
C1	O3	C2	H12	90.0°	60.0°
O3	C2	C3	H11	90.0°	120.0°
O3	C2	C3	H12	90.0°	120.0°
O3	C2	C3	C4	90.0°	90.0°
O3	C2	C3	C8	90.0°	90.2°
O3	C2	H11	H12	90.0°	120.0°
C2	C3	C4	C8	90.0°	179.8°
C2	C3	C4	C5	90.0°	180.0°
C2	C3	C8	C7	90.0°	179.8°
C3	C2	H11	H12	90.0°	120.0°
C2	C3	C4	H18	90.0°	0.1°
C2	C3	C8	H22	90.0°	0.2°
C3	C4	C5	H18	90.0°	179.9°
C3	C4	C5	C6	90.0°	0.0°
C4	C3	C8	C7	90.0°	0.4°
C4	C3	C2	H11	90.0°	30.0°
C4	C3	C2	H12	90.0°	150.0°
C3	C4	C5	H19	90.0°	180.0°
C4	C3	C8	H22	90.0°	180.0°
C4	C5	C6	H19	90.0°	179.9°
C4	C5	C6	C7	90.0°	0.0°
C5	C4	C3	C8	90.0°	0.2°
C4	C5	C6	H20	90.0°	179.9°
C5	C6	C7	H20	90.0°	180.0°
C5	C6	C7	C8	90.0°	0.2°
C6	C5	C4	H18	90.0°	180.0°
C5	C6	C7	H21	90.0°	180.0°
C6	C7	C8	H21	90.0°	179.8°
C6	C7	C8	C3	90.0°	0.4°
C7	C6	C5	H19	90.0°	180.0°
C6	C7	C8	H22	90.0°	180.0°
C7	C8	C3	H22	90.0°	179.5°
C8	C7	C6	H20	90.0°	179.8°
C8	C3	C2	H11	90.0°	149.8°
C8	C3	C2	H12	90.0°	29.8°
C8	C3	C4	H18	90.0°	179.7°
C3	C8	C7	H21	90.0°	179.7°
H18	C4	C5	H19	90.0°	0.1°
H19	C5	C6	H20	90.0°	0.0°
H20	C6	C7	H21	90.0°	0.0°
H21	C7	C8	H22	90.0°	0.2°

Release date:	2020-10-28
Definition date:	2019-12-13
Last modified:	2020-10-23
Release status:	REL
Processing site:	PDBJ
Derived from:	6L5Z