X7T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	O2	sing	1.44Å	1.44Å
C21	C22	sing	1.55Å	1.51Å
O2	C20	sing	1.43Å	1.43Å
C22	C19	sing	1.55Å	1.50Å
C20	C19	sing	1.54Å	1.52Å
C19	N5	sing	1.47Å	1.46Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
F1	C1	sing	1.35Å	1.33Å
C1	C6	doub	1.38Å	1.39Å	Aromatic
N5	C18	sing	1.39Å	1.41Å
C4	O1	sing	1.36Å	1.39Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
O1	C7	sing	1.43Å	1.44Å
C8	C7	sing	1.53Å	1.52Å
C8	C9	sing	1.53Å	1.51Å
C6	C5	sing	1.38Å	1.38Å	Aromatic
C5	F2	sing	1.35Å	1.33Å
C7	C11	sing	1.53Å	1.53Å
C9	N1	sing	1.47Å	1.47Å
C11	C10	sing	1.53Å	1.52Å
C18	N4	doub	1.32Å	1.35Å	Aromatic
C18	C12	sing	1.40Å	1.41Å	Aromatic
N1	C12	sing	1.39Å	1.42Å
N1	C10	sing	1.47Å	1.47Å
N4	C17	sing	1.33Å	1.34Å	Aromatic
C12	N2	doub	1.32Å	1.35Å	Aromatic
C17	C16	sing	1.51Å	1.50Å
C17	C13	doub	1.37Å	1.39Å	Aromatic
N2	C13	sing	1.33Å	1.34Å	Aromatic
C16	N3	sing	1.47Å	1.47Å
C13	C14	sing	1.51Å	1.50Å
C14	C15	sing	1.53Å	1.52Å
N3	C15	sing	1.47Å	1.47Å
N3	C23	sing	1.35Å	1.40Å
O3	C23	doub	1.21Å	1.22Å
C23	C24	sing	1.51Å	1.51Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
C21	H16	sing	1.09Å	1.10Å
C21	H17	sing	1.09Å	1.10Å
C22	H18	sing	1.09Å	1.10Å
C22	H19	sing	1.09Å	1.10Å
C24	H20	sing	1.09Å	1.10Å
C24	H21	sing	1.09Å	1.10Å
C24	H22	sing	1.09Å	1.10Å
C6	H23	sing	1.08Å	1.08Å
C7	H24	sing	1.09Å	1.10Å
C8	H25	sing	1.09Å	1.10Å
C8	H26	sing	1.09Å	1.10Å
C9	H27	sing	1.09Å	1.10Å
C9	H28	sing	1.09Å	1.10Å
N5	H29	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C21	C22	105.8°	105.1°
C21	O2	C20	108.3°	110.0°
O2	C21	H16	110.4°	110.3°
O2	C21	H17	110.4°	110.3°
C21	C22	C19	100.2°	100.9°
C22	C21	H16	110.4°	110.3°
C22	C21	H17	110.4°	110.3°
C21	C22	H18	111.7°	111.1°
C21	C22	H19	111.7°	111.1°
O2	C20	C19	106.1°	107.6°
O2	C20	H14	110.3°	109.8°
O2	C20	H15	110.4°	109.8°
C22	C19	C20	102.1°	102.2°
C22	C19	N5	112.3°	110.8°
C22	C19	H13	110.5°	111.0°
C19	C22	H18	111.7°	111.1°
C19	C22	H19	111.7°	111.1°
C20	C19	N5	110.2°	110.8°
C20	C19	H13	110.3°	110.9°
C19	C20	H14	110.3°	109.9°
C19	C20	H15	110.3°	109.8°
C19	N5	C18	119.6°	119.9°
N5	C19	H13	111.2°	110.8°
C19	N5	H29	106.9°	120.0°
C3	C2	C1	119.4°	120.0°
C2	C3	C4	119.5°	120.0°
C3	C2	H1	120.3°	119.9°
C2	C3	H2	120.3°	120.0°
C2	C1	F1	118.0°	119.9°
C2	C1	C6	122.1°	120.1°
C1	C2	H1	120.3°	120.0°
C3	C4	O1	119.0°	120.0°
C3	C4	C5	119.9°	120.0°
C4	C3	H2	120.3°	120.1°
F1	C1	C6	119.9°	120.0°
C1	C6	C5	117.9°	120.0°
C1	C6	H23	121.1°	120.0°
N5	C18	N4	118.8°	120.3°
N5	C18	C12	120.4°	120.3°
C18	N5	H29	106.9°	120.0°
O1	C4	C5	121.1°	120.0°
C4	O1	C7	115.5°	117.0°
C4	C5	C6	121.2°	119.9°
C4	C5	F2	119.3°	120.1°
O1	C7	C8	108.5°	109.5°
O1	C7	C11	106.6°	109.5°
O1	C7	H24	111.5°	109.5°
C7	C8	C9	110.0°	109.2°
C8	C7	C11	109.7°	109.2°
C8	C7	H24	110.2°	109.6°
C7	C8	H25	109.4°	109.5°
C7	C8	H26	109.4°	109.5°
C8	C9	N1	108.7°	109.5°
C9	C8	H25	109.3°	109.5°
C9	C8	H26	109.4°	109.5°
C8	C9	H27	109.7°	109.5°
C8	C9	H28	109.7°	109.5°
C6	C5	F2	119.5°	120.0°
C5	C6	H23	121.0°	120.0°
C7	C11	C10	112.9°	109.3°
C7	C11	H5	108.6°	109.5°
C7	C11	H6	108.6°	109.6°
C11	C7	H24	110.2°	109.6°
C9	N1	C12	112.0°	111.0°
C9	N1	C10	115.3°	111.2°
N1	C9	H27	109.7°	109.5°
N1	C9	H28	109.7°	109.5°
C11	C10	N1	111.6°	109.5°
C11	C10	H3	108.9°	109.5°
C11	C10	H4	108.9°	109.5°
C10	C11	H5	108.6°	109.5°
C10	C11	H6	108.6°	109.5°
N4	C18	C12	120.8°	119.4°
C18	N4	C17	118.3°	120.6°
C18	C12	N1	122.2°	120.2°
C18	C12	N2	120.0°	119.5°
C12	N1	C10	113.7°	111.0°
N1	C12	N2	117.8°	120.2°
N1	C10	H3	108.9°	109.4°
N1	C10	H4	108.9°	109.4°
N4	C17	C16	117.9°	117.6°
N4	C17	C13	121.1°	120.0°
C12	N2	C13	118.9°	120.7°
C16	C17	C13	121.0°	122.4°
C17	C16	N3	109.9°	109.7°
C17	C16	H11	109.4°	109.4°
C17	C16	H12	109.4°	109.4°
C17	C13	N2	121.0°	119.7°
C17	C13	C14	122.3°	122.9°
N2	C13	C14	116.7°	117.3°
C16	N3	C15	112.6°	117.3°
C16	N3	C23	120.1°	121.4°
N3	C16	H11	109.3°	109.4°
N3	C16	H12	109.4°	109.5°
C13	C14	C15	112.3°	110.9°
C13	C14	H7	108.8°	109.2°
C13	C14	H8	108.8°	109.2°
C14	C15	N3	109.7°	107.9°
C15	C14	H7	108.8°	109.2°
C15	C14	H8	108.8°	109.2°
C14	C15	H9	109.4°	109.8°
C14	C15	H10	109.4°	109.8°
C15	N3	C23	127.3°	121.3°
N3	C15	H9	109.4°	109.8°
N3	C15	H10	109.4°	109.8°
N3	C23	O3	123.9°	120.0°
N3	C23	C24	117.7°	120.0°
O3	C23	C24	118.4°	120.0°
C23	C24	H20	109.5°	109.4°
C23	C24	H21	109.4°	109.5°
C23	C24	H22	109.5°	109.4°
H3	C10	H4	109.5°	109.5°
H5	C11	H6	109.5°	109.5°
H7	C14	H8	109.5°	109.1°
H9	C15	H10	109.4°	109.8°
H11	C16	H12	109.5°	109.4°
H14	C20	H15	109.5°	109.8°
H16	C21	H17	109.5°	110.3°
H18	C22	H19	109.5°	111.1°
H20	C24	H21	109.5°	109.5°
H20	C24	H22	109.5°	109.5°
H21	C24	H22	109.5°	109.5°
H25	C8	H26	109.5°	109.6°
H27	C9	H28	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C21	C22	H16	119.4°	118.9°
O2	C21	C22	H17	119.5°	118.9°
O2	C21	C22	C19	37.7°	36.4°
C21	O2	C20	C19	6.6°	1.7°
C21	O2	C20	H14	112.8°	121.3°
C21	O2	C20	H15	126.1°	117.8°
O2	C21	H16	H17	121.7°	122.2°
O2	C21	C22	H18	156.2°	81.4°
O2	C21	C22	H19	80.8°	154.4°
C22	C21	O2	C20	19.8°	24.4°
C21	C22	C19	H18	118.5°	117.9°
C21	C22	C19	H19	118.5°	117.9°
C21	C22	C19	C20	40.3°	34.1°
C21	C22	C19	N5	158.3°	152.3°
C21	C22	C19	H13	77.0°	84.2°
C22	C21	H16	H17	121.7°	122.1°
C21	C22	H18	H19	124.3°	124.3°
O2	C20	C19	C22	30.1°	21.4°
O2	C20	C19	H14	119.5°	119.6°
O2	C20	C19	H15	119.5°	119.5°
O2	C20	C19	N5	149.6°	139.5°
O2	C20	C19	H13	87.3°	97.0°
O2	C20	H14	H15	121.6°	120.9°
C20	O2	C21	H16	99.7°	94.5°
C20	O2	C21	H17	139.2°	143.3°
C22	C19	C20	N5	119.5°	118.1°
C22	C19	C20	H13	117.4°	118.4°
C22	C19	N5	H13	124.4°	123.6°
C22	C19	N5	C18	124.6°	158.0°
C22	C19	C20	H14	89.3°	98.2°
C22	C19	C20	H15	149.6°	140.9°
C19	C22	C21	H16	81.7°	82.5°
C19	C22	C21	H17	157.2°	155.4°
C19	C22	H18	H19	124.3°	124.2°
C22	C19	N5	H29	3.2°	22.0°
C20	C19	N5	H13	122.6°	123.6°
C20	C19	N5	C18	122.4°	89.2°
C19	C20	H14	H15	121.6°	120.9°
C20	C19	C22	H18	158.8°	83.7°
C20	C19	C22	H19	78.2°	152.1°
C20	C19	N5	H29	116.2°	90.8°
C19	N5	C18	H29	121.4°	179.9°
C19	N5	C18	N4	53.0°	5.2°
C19	N5	C18	C12	125.7°	174.8°
N5	C19	C20	H14	30.1°	19.9°
N5	C19	C20	H15	90.9°	101.0°
N5	C19	C22	H18	83.3°	34.4°
N5	C19	C22	H19	39.8°	89.8°
C3	C2	C1	H1	180.0°	179.7°
C2	C3	C4	H2	180.0°	179.9°
C3	C2	C1	F1	179.7°	180.0°
C3	C2	C1	C6	0.2°	0.0°
C2	C3	C4	O1	179.4°	180.0°
C2	C3	C4	C5	1.1°	0.0°
C1	C2	C3	C4	0.8°	0.0°
C2	C1	F1	C6	180.0°	179.9°
C2	C1	C6	C5	0.0°	0.1°
C1	C2	C3	H2	179.2°	179.9°
C2	C1	C6	H23	180.0°	180.0°
C3	C4	O1	C5	178.3°	179.9°
C3	C4	O1	C7	83.7°	5.3°
C3	C4	C5	C6	0.9°	0.0°
C3	C4	C5	F2	179.8°	179.9°
C4	C3	C2	H1	179.1°	179.7°
F1	C1	C6	C5	180.0°	180.0°
F1	C1	C2	H1	0.3°	0.3°
F1	C1	C6	H23	0.0°	0.1°
C1	C6	C5	C4	0.3°	0.0°
C1	C6	C5	H23	180.0°	179.9°
C1	C6	C5	F2	179.6°	180.0°
C6	C1	C2	H1	179.7°	179.7°
N5	C18	N4	C12	178.7°	180.0°
N5	C18	C12	N1	1.8°	0.5°
N5	C18	N4	C17	179.5°	180.0°
N5	C18	C12	N2	179.7°	179.7°
C18	N5	C19	H13	0.3°	34.3°
C4	O1	C7	C8	76.9°	84.9°
O1	C4	C5	C6	179.1°	179.9°
O1	C4	C5	F2	1.6°	0.0°
C4	O1	C7	C11	165.0°	155.5°
O1	C4	C3	H2	0.6°	0.2°
C4	O1	C7	H24	44.6°	35.3°
C5	C4	O1	C7	98.0°	174.8°
C4	C5	C6	F2	179.3°	180.0°
C5	C4	C3	H2	178.9°	179.9°
C4	C5	C6	H23	179.7°	179.9°
O1	C7	C8	C11	116.1°	119.9°
O1	C7	C8	H24	122.3°	120.1°
O1	C7	C8	C9	174.7°	177.6°
O1	C7	C11	H24	121.2°	120.1°
O1	C7	C11	C10	169.1°	177.6°
O1	C7	C11	H5	48.6°	62.5°
O1	C7	C11	H6	70.4°	57.6°
O1	C7	C8	H25	65.2°	62.5°
O1	C7	C8	H26	54.6°	57.7°
C7	C8	C9	H25	120.1°	119.9°
C7	C8	C9	H26	120.1°	119.9°
C8	C7	C11	H24	121.6°	120.0°
C7	C8	C9	N1	60.7°	59.2°
C8	C7	C11	C10	51.8°	57.7°
C8	C7	C11	H5	68.7°	177.6°
C8	C7	C11	H6	172.4°	62.3°
C7	C8	H25	H26	119.8°	120.2°
C7	C8	C9	H27	59.2°	60.8°
C7	C8	C9	H28	179.4°	179.2°
C9	C8	C7	C11	58.6°	57.7°
C8	C9	N1	H27	119.9°	120.0°
C8	C9	N1	H28	119.9°	120.0°
C8	C9	N1	C12	169.9°	174.2°
C8	C9	N1	C10	58.1°	61.8°
C9	C8	C7	H24	63.0°	62.3°
C9	C8	H25	H26	119.8°	120.1°
C8	C9	H27	H28	120.4°	120.0°
F2	C5	C6	H23	0.4°	0.1°
C7	C11	C10	H5	120.5°	119.9°
C7	C11	C10	H6	120.5°	120.0°
C7	C11	C10	N1	47.4°	59.2°
C7	C11	C10	H3	167.7°	179.2°
C7	C11	C10	H4	72.9°	60.7°
C7	C11	H5	H6	118.4°	120.2°
C11	C7	C8	H25	178.6°	177.6°
C11	C7	C8	H26	61.5°	62.2°
C9	N1	C10	C11	51.4°	61.8°
C9	N1	C12	C18	66.8°	123.9°
C9	N1	C12	C10	132.8°	124.2°
C9	N1	C12	N2	111.8°	55.8°
C9	N1	C10	H3	171.8°	178.2°
C9	N1	C10	H4	68.9°	58.2°
N1	C9	C8	H25	179.2°	179.1°
N1	C9	C8	H26	59.3°	60.7°
N1	C9	H27	H28	120.4°	120.0°
C11	C10	N1	C12	177.3°	174.2°
C11	C10	N1	H3	120.3°	120.0°
C11	C10	N1	H4	120.3°	120.0°
C11	C10	H3	H4	119.0°	120.0°
C10	C11	H5	H6	118.4°	120.1°
C10	C11	C7	H24	69.7°	62.3°
N4	C18	C12	N1	179.6°	179.5°
N4	C18	C12	N2	1.1°	0.2°
C18	N4	C17	C16	179.5°	179.5°
C18	N4	C17	C13	0.2°	0.5°
N4	C18	N5	H29	174.4°	174.9°
C18	C12	N1	N2	178.5°	179.8°
C18	C12	N1	C10	160.4°	111.9°
C12	C18	N4	C17	0.8°	0.0°
C18	C12	N2	C13	0.7°	0.1°
C12	C18	N5	H29	4.3°	5.1°
N1	C12	N2	C13	179.2°	179.7°
C12	N1	C10	H3	57.0°	54.1°
C12	N1	C10	H4	62.4°	65.9°
C12	N1	C9	H27	70.3°	65.8°
C12	N1	C9	H28	50.0°	54.2°
C10	N1	C12	N2	21.0°	68.3°
N1	C10	H3	H4	119.0°	119.9°
N1	C10	C11	H5	73.1°	179.1°
N1	C10	C11	H6	168.0°	60.8°
C10	N1	C9	H27	61.7°	58.3°
C10	N1	C9	H28	178.0°	178.2°
N4	C17	C16	C13	179.7°	180.0°
N4	C17	C13	N2	0.2°	0.7°
N4	C17	C16	N3	159.3°	169.0°
N4	C17	C13	C14	179.8°	179.3°
N4	C17	C16	H11	39.2°	71.0°
N4	C17	C16	H12	80.7°	48.9°
C12	N2	C13	C17	0.1°	0.4°
C12	N2	C13	C14	179.9°	179.6°
C16	C17	C13	N2	179.9°	179.3°
C17	C16	N3	H11	120.1°	120.1°
C17	C16	N3	H12	120.1°	120.0°
C16	C17	C13	C14	0.1°	0.7°
C17	C16	N3	C15	54.1°	44.3°
C17	C16	N3	C23	124.8°	135.7°
C17	C16	H11	H12	119.8°	119.9°
C17	C13	N2	C14	180.0°	180.0°
C13	C17	C16	N3	20.5°	11.1°
C17	C13	C14	C15	10.7°	19.7°
C17	C13	C14	H7	131.2°	100.7°
C17	C13	C14	H8	109.7°	140.1°
C13	C17	C16	H11	140.5°	109.0°
C13	C17	C16	H12	99.6°	131.1°
N2	C13	C14	C15	169.3°	160.4°
N2	C13	C14	H7	48.8°	79.3°
N2	C13	C14	H8	70.3°	40.0°
C16	N3	C15	C14	66.5°	64.2°
C16	N3	C15	C23	178.8°	180.0°
C16	N3	C23	O3	0.8°	5.1°
C16	N3	C23	C24	179.2°	174.9°
C16	N3	C15	H9	53.5°	176.2°
C16	N3	C15	H10	173.4°	55.4°
N3	C16	H11	H12	119.8°	119.9°
C13	C14	C15	H7	120.4°	120.3°
C13	C14	C15	H8	120.4°	120.4°
C13	C14	C15	N3	41.8°	47.4°
C13	C14	H7	H8	118.7°	119.3°
C13	C14	C15	H9	78.2°	166.9°
C13	C14	C15	H10	161.8°	72.3°
C14	C15	N3	H9	120.0°	119.6°
C14	C15	N3	H10	120.1°	119.6°
C14	C15	N3	C23	112.2°	115.7°
C15	C14	H7	H8	118.7°	119.3°
C14	C15	H9	H10	119.9°	120.8°
C15	N3	C23	O3	179.5°	174.9°
C15	N3	C23	C24	0.5°	5.1°
N3	C15	C14	H7	162.2°	73.0°
N3	C15	C14	H8	78.6°	167.8°
N3	C15	H9	H10	119.9°	120.8°
C15	N3	C16	H11	174.2°	75.8°
C15	N3	C16	H12	66.0°	164.3°
N3	C23	O3	C24	180.0°	180.0°
C23	N3	C15	H9	127.7°	3.9°
C23	N3	C15	H10	7.8°	124.7°
C23	N3	C16	H11	4.7°	104.2°
C23	N3	C16	H12	115.1°	15.7°
N3	C23	C24	H20	180.0°	84.7°
N3	C23	C24	H21	60.0°	35.3°
N3	C23	C24	H22	60.0°	155.3°
O3	C23	C24	H20	0.0°	95.3°
O3	C23	C24	H21	120.0°	144.7°
O3	C23	C24	H22	120.0°	24.7°
C23	C24	H20	H21	120.0°	119.9°
C23	C24	H20	H22	120.0°	120.0°
C23	C24	H21	H22	120.0°	120.0°
H1	C2	C3	H2	0.9°	0.2°
H3	C10	C11	H5	47.2°	60.9°
H3	C10	C11	H6	71.7°	59.2°
H4	C10	C11	H5	166.6°	59.2°
H4	C10	C11	H6	47.6°	179.2°
H5	C11	C7	H24	169.8°	57.6°
H6	C11	C7	H24	50.8°	177.7°
H7	C14	C15	H9	42.2°	46.6°
H7	C14	C15	H10	77.7°	167.4°
H8	C14	C15	H9	161.3°	72.6°
H8	C14	C15	H10	41.4°	48.2°
H13	C19	C20	H14	153.2°	143.4°
H13	C19	C20	H15	32.2°	22.5°
H13	C19	C22	H18	41.5°	157.9°
H13	C19	C22	H19	164.5°	33.7°
H13	C19	N5	H29	121.2°	145.6°
H16	C21	C22	H18	36.8°	159.6°
H16	C21	C22	H19	159.8°	35.4°
H17	C21	C22	H18	84.4°	37.5°
H17	C21	C22	H19	38.7°	86.7°
H20	C24	H21	H22	120.0°	120.1°
H24	C7	C8	H25	57.1°	57.6°
H24	C7	C8	H26	176.9°	177.8°
H25	C8	C9	H27	60.9°	59.1°
H25	C8	C9	H28	59.3°	60.8°
H26	C8	C9	H27	179.2°	179.2°
H26	C8	C9	H28	60.5°	59.3°

Release date:	2024-12-04
Definition date:	2023-06-05
Last modified:	2024-11-29
Release status:	REL
Processing site:	RCSB
Derived from:	8T1W