FHX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N22	C21	trip	1.14Å	1.16Å
C21	C20	sing	1.47Å	1.46Å
O19	C18	doub	1.21Å	1.23Å
C20	C18	sing	1.51Å	1.52Å
C18	N2	sing	1.35Å	1.37Å
N2	C1	sing	1.46Å	1.45Å
N2	C3	sing	1.48Å	1.45Å
C16	C1	sing	1.53Å	1.52Å
C16	C17	sing	1.55Å	1.53Å
C1	C15	sing	1.53Å	1.53Å
C1	C4	sing	1.53Å	1.56Å
C3	C4	sing	1.54Å	1.54Å
C17	N5	sing	1.49Å	1.46Å
C15	N5	sing	1.49Å	1.45Å
N5	C7	sing	1.38Å	1.37Å
C4	C23	sing	1.53Å	1.52Å
C7	N6	doub	1.33Å	1.36Å	Aromatic
C7	C8	sing	1.40Å	1.41Å	Aromatic
N6	C13	sing	1.32Å	1.35Å	Aromatic
C8	C12	sing	1.46Å	1.43Å	Aromatic
C8	C9	doub	1.41Å	1.39Å	Aromatic
C12	C11	doub	1.34Å	1.38Å	Aromatic
C13	N14	doub	1.32Å	1.34Å	Aromatic
C9	N14	sing	1.33Å	1.34Å	Aromatic
C9	N10	sing	1.37Å	1.37Å	Aromatic
C11	N10	sing	1.37Å	1.37Å	Aromatic
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C23	H15	sing	1.09Å	1.10Å
C23	H16	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å
N10	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N22	C21	C20	179.9°	179.9°
C21	C20	C18	111.3°	109.5°
C21	C20	H13	109.0°	109.5°
C21	C20	H14	109.0°	109.4°
O19	C18	C20	123.2°	120.0°
O19	C18	N2	121.7°	120.0°
C20	C18	N2	115.1°	120.0°
C18	C20	H13	109.0°	109.5°
C18	C20	H14	109.0°	109.4°
C18	N2	C1	130.6°	134.7°
C18	N2	C3	133.1°	134.7°
C1	N2	C3	96.3°	90.7°
N2	C1	C16	115.9°	115.8°
N2	C1	C15	114.5°	115.8°
N2	C1	C4	87.0°	87.3°
N2	C3	C4	88.2°	86.3°
N2	C3	H1	114.5°	113.7°
N2	C3	H2	114.5°	113.8°
C1	C16	C17	101.3°	104.6°
C16	C1	C15	104.2°	106.2°
C16	C1	C4	114.3°	115.7°
C1	C16	H9	111.5°	110.4°
C1	C16	H10	111.4°	110.4°
C16	C17	N5	104.1°	104.7°
C17	C16	H9	111.5°	110.4°
C17	C16	H10	111.5°	110.4°
C16	C17	H11	110.8°	110.4°
C16	C17	H12	110.8°	110.4°
C15	C1	C4	121.1°	115.7°
C1	C15	N5	103.0°	104.3°
C1	C15	H7	111.1°	110.5°
C1	C15	H8	111.1°	110.4°
C1	C4	C3	88.5°	86.0°
C1	C4	C23	120.6°	113.8°
C1	C4	H3	109.8°	113.8°
C3	C4	C23	115.4°	113.8°
C4	C3	H1	114.5°	113.8°
C4	C3	H2	114.5°	113.8°
C3	C4	H3	110.2°	113.8°
C17	N5	C15	111.9°	104.4°
C17	N5	C7	119.7°	111.0°
N5	C17	H11	110.8°	110.4°
N5	C17	H12	110.8°	110.4°
C15	N5	C7	125.6°	111.0°
N5	C15	H7	111.1°	110.4°
N5	C15	H8	111.1°	110.5°
N5	C7	N6	117.7°	120.8°
N5	C7	C8	125.4°	120.9°
C23	C4	H3	110.5°	113.1°
C4	C23	H15	109.5°	109.5°
C4	C23	H16	109.5°	109.5°
C4	C23	H17	109.5°	109.5°
N6	C7	C8	116.9°	118.3°
C7	N6	C13	119.6°	121.0°
C7	C8	C12	137.5°	135.1°
C7	C8	C9	116.8°	118.7°
N6	C13	N14	128.1°	122.7°
N6	C13	H6	115.9°	118.7°
C12	C8	C9	105.7°	106.2°
C8	C12	C11	108.3°	106.8°
C8	C12	H5	125.8°	126.6°
C8	C9	N14	127.5°	118.6°
C8	C9	N10	108.7°	107.1°
C12	C11	N10	107.4°	109.8°
C12	C11	H4	126.3°	125.1°
C11	C12	H5	125.9°	126.6°
C13	N14	C9	111.1°	120.7°
N14	C13	H6	116.0°	118.6°
N14	C9	N10	123.7°	134.3°
C9	N10	C11	109.9°	110.0°
C9	N10	H18	125.0°	125.0°
N10	C11	H4	126.3°	125.1°
C11	N10	H18	125.1°	125.0°
H1	C3	H2	109.4°	112.9°
H7	C15	H8	109.5°	110.5°
H9	C16	H10	109.5°	110.4°
H11	C17	H12	109.5°	110.4°
H13	C20	H14	109.5°	109.4°
H15	C23	H16	109.5°	109.5°
H15	C23	H17	109.5°	109.4°
H16	C23	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N22	C21	C20	C18	5.8°	75.8°
N22	C21	C20	H13	114.5°	44.3°
N22	C21	C20	H14	126.1°	164.3°
C21	C20	C18	O19	23.7°	0.1°
C21	C20	C18	H13	120.3°	120.1°
C21	C20	C18	H14	120.3°	120.0°
C21	C20	C18	N2	156.6°	180.0°
C21	C20	H13	H14	119.2°	119.9°
O19	C18	C20	N2	179.7°	179.9°
O19	C18	N2	C1	4.5°	0.1°
O19	C18	N2	C3	179.1°	179.9°
O19	C18	C20	H13	144.0°	120.0°
O19	C18	C20	H14	96.6°	120.1°
C20	C18	N2	C1	175.8°	180.0°
C20	C18	N2	C3	0.6°	0.2°
C18	C20	H13	H14	119.2°	120.0°
C18	N2	C1	C3	177.3°	179.9°
C18	N2	C1	C16	64.6°	86.7°
C18	N2	C1	C15	56.7°	38.6°
C18	N2	C1	C4	179.7°	155.9°
C18	N2	C3	C4	179.6°	156.1°
C18	N2	C3	H1	63.4°	89.5°
C18	N2	C3	H2	64.2°	41.7°
N2	C18	C20	H13	36.3°	59.9°
N2	C18	C20	H14	83.1°	60.0°
N2	C1	C16	C15	126.7°	130.0°
N2	C1	C16	C4	99.0°	100.1°
N2	C1	C16	C17	166.1°	130.4°
N2	C1	C15	C4	102.0°	100.0°
C1	N2	C3	C4	2.4°	23.8°
N2	C1	C15	N5	159.2°	107.0°
N2	C1	C4	C23	121.1°	91.3°
C1	N2	C3	H1	113.8°	90.6°
C1	N2	C3	H2	118.6°	138.2°
N2	C1	C4	H3	108.7°	137.2°
N2	C1	C15	H7	40.3°	11.7°
N2	C1	C15	H8	81.8°	134.3°
N2	C1	C16	H9	75.2°	110.8°
N2	C1	C16	H10	47.4°	11.6°
C3	N2	C1	C16	118.0°	93.4°
C3	N2	C1	C15	120.6°	141.3°
N2	C3	C4	H1	116.2°	114.3°
N2	C3	C4	H2	116.2°	114.5°
N2	C3	C4	C23	125.7°	91.5°
N2	C3	H1	H2	130.1°	131.6°
N2	C3	C4	H3	108.3°	137.1°
C1	C16	C17	H9	118.7°	118.8°
C1	C16	C17	H10	118.6°	118.8°
C16	C1	C15	C4	130.4°	129.9°
C16	C1	C4	C3	119.4°	94.5°
C1	C16	C17	N5	32.1°	23.7°
C16	C1	C15	N5	31.7°	23.1°
C16	C1	C4	C23	121.7°	151.3°
C16	C1	C4	H3	8.5°	19.7°
C16	C1	C15	H7	87.3°	141.8°
C16	C1	C15	H8	150.6°	95.6°
C1	C16	H9	H10	123.7°	122.4°
C1	C16	C17	H11	87.0°	95.1°
C1	C16	C17	H12	151.3°	142.5°
C17	C16	C1	C15	39.4°	0.3°
C17	C16	C1	C4	94.9°	129.6°
C16	C17	N5	H11	119.1°	118.8°
C16	C17	N5	H12	119.1°	118.8°
C16	C17	N5	C15	13.4°	38.9°
C16	C17	N5	C7	175.6°	158.5°
C17	C16	H9	H10	123.8°	122.3°
C16	C17	H11	H12	122.5°	122.4°
C15	C1	C4	C3	114.7°	140.4°
C1	C15	N5	C17	11.2°	38.5°
C1	C15	N5	H7	118.9°	118.7°
C1	C15	N5	H8	119.0°	118.7°
C1	C15	N5	C7	149.8°	158.2°
C15	C1	C4	C23	4.2°	26.1°
C15	C1	C4	H3	134.4°	105.4°
C1	C15	H7	H8	123.0°	122.5°
C15	C1	C16	H9	158.1°	119.2°
C15	C1	C16	H10	79.3°	118.4°
C1	C4	C3	C23	123.5°	114.3°
C1	C4	C3	H3	110.6°	114.3°
C4	C1	C15	N5	98.8°	153.0°
C1	C4	C23	H3	129.9°	131.9°
C1	C4	C3	H1	114.0°	91.5°
C1	C4	C3	H2	118.4°	137.2°
C4	C1	C15	H7	142.3°	88.3°
C4	C1	C15	H8	20.2°	34.3°
C4	C1	C16	H9	23.8°	10.7°
C4	C1	C16	H10	146.4°	111.7°
C1	C4	C23	H15	180.0°	60.0°
C1	C4	C23	H16	60.0°	180.0°
C1	C4	C23	H17	60.0°	60.0°
C3	C4	C23	H3	125.8°	131.8°
C4	C3	H1	H2	130.1°	131.7°
C3	C4	C23	H15	75.7°	36.4°
C3	C4	C23	H16	164.3°	83.7°
C3	C4	C23	H17	44.3°	156.3°
C17	N5	C15	C7	161.0°	119.7°
C17	N5	C7	N6	12.7°	115.6°
C17	N5	C7	C8	166.8°	64.1°
C17	N5	C15	H7	107.7°	157.2°
C17	N5	C15	H8	130.2°	80.2°
N5	C17	C16	H9	150.8°	142.6°
N5	C17	C16	H10	86.5°	95.1°
N5	C17	H11	H12	122.5°	122.3°
C15	N5	C7	N6	172.3°	0.0°
C15	N5	C7	C8	7.1°	179.7°
N5	C15	H7	H8	123.0°	122.6°
C15	N5	C17	H11	105.8°	79.9°
C15	N5	C17	H12	132.5°	157.7°
N5	C7	N6	C8	179.5°	179.7°
N5	C7	N6	C13	179.7°	179.7°
N5	C7	C8	C12	0.4°	0.3°
N5	C7	C8	C9	179.6°	179.7°
C7	N5	C15	H7	91.3°	83.1°
C7	N5	C15	H8	30.8°	39.5°
C7	N5	C17	H11	56.5°	39.7°
C7	N5	C17	H12	65.2°	82.6°
C23	C4	C3	H1	9.5°	154.2°
C23	C4	C3	H2	118.1°	22.9°
C4	C23	H15	H16	120.0°	120.0°
C4	C23	H15	H17	120.0°	120.0°
C4	C23	H16	H17	120.0°	120.0°
N6	C7	C8	C12	179.8°	180.0°
N6	C7	C8	C9	0.1°	0.0°
C7	N6	C13	N14	0.2°	0.0°
C7	N6	C13	H6	179.8°	180.0°
C8	C7	N6	C13	0.2°	0.0°
C7	C8	C12	C9	180.0°	180.0°
C7	C8	C12	C11	180.0°	180.0°
C7	C8	C9	N14	0.0°	0.0°
C7	C8	C9	N10	179.9°	180.0°
C7	C8	C12	H5	0.0°	0.1°
N6	C13	N14	H6	180.0°	180.0°
N6	C13	N14	C9	0.0°	0.0°
C8	C12	C11	H5	180.0°	179.9°
C12	C8	C9	N14	180.0°	180.0°
C12	C8	C9	N10	0.1°	0.0°
C8	C12	C11	N10	0.0°	0.0°
C8	C12	C11	H4	180.0°	180.0°
C9	C8	C12	C11	0.1°	0.0°
C8	C9	N14	C13	0.1°	0.0°
C8	C9	N14	N10	179.9°	179.9°
C8	C9	N10	C11	0.1°	0.0°
C9	C8	C12	H5	179.9°	179.9°
C8	C9	N10	H18	180.0°	180.0°
C12	C11	N10	C9	0.0°	0.0°
C12	C11	N10	H4	180.0°	180.0°
C12	C11	N10	H18	180.0°	180.0°
C13	N14	C9	N10	180.0°	180.0°
N14	C9	N10	C11	180.0°	179.9°
C9	N14	C13	H6	180.0°	180.0°
N14	C9	N10	H18	0.1°	0.1°
C9	N10	C11	H18	180.0°	180.0°
C9	N10	C11	H4	180.0°	180.0°
N10	C11	C12	H5	180.0°	179.9°
H1	C3	C4	H3	135.4°	22.8°
H2	C3	C4	H3	7.9°	108.5°
H3	C4	C23	H15	50.1°	168.1°
H3	C4	C23	H16	69.9°	48.1°
H3	C4	C23	H17	170.1°	71.9°
H4	C11	C12	H5	0.0°	0.1°
H4	C11	N10	H18	0.0°	0.0°
H9	C16	C17	H11	31.7°	23.7°
H9	C16	C17	H12	90.0°	98.6°
H10	C16	C17	H11	154.4°	146.1°
H10	C16	C17	H12	32.6°	23.7°
H15	C23	H16	H17	120.0°	120.0°

Release date:	2020-06-24
Definition date:	2020-05-14
Last modified:	2020-06-19
Release status:	REL
Processing site:	PDBJ
Derived from:	7C3N