SZO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C6	sing	1.34Å	1.40Å
O22	C9	doub	1.22Å	1.19Å
C6	C1	sing	1.50Å	1.52Å
C6	C5	doub	1.38Å	1.33Å
C21	C15	sing	1.51Å	1.54Å
C9	C5	sing	1.47Å	1.52Å
C9	C10	sing	1.48Å	1.54Å
C1	C2	sing	1.53Å	1.52Å
C5	C4	sing	1.47Å	1.52Å
C15	C10	doub	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.39Å	1.42Å	Aromatic
O20	C16	doub	1.22Å	1.18Å
C10	C11	sing	1.40Å	1.37Å	Aromatic
C4	O8	doub	1.21Å	1.18Å
C4	C3	sing	1.51Å	1.52Å
C2	C3	sing	1.53Å	1.52Å
C16	C14	sing	1.47Å	1.38Å
C16	N18	sing	1.35Å	1.33Å
C14	C13	doub	1.41Å	1.37Å	Aromatic
C11	C12	doub	1.36Å	1.38Å	Aromatic
C27	C28	doub	1.38Å	1.39Å	Aromatic
C27	C26	sing	1.38Å	1.39Å	Aromatic
C28	C23	sing	1.39Å	1.39Å	Aromatic
C26	C25	doub	1.38Å	1.38Å	Aromatic
C23	N18	sing	1.40Å	1.46Å
C23	C24	doub	1.39Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.38Å	Aromatic
N18	C19	sing	1.36Å	1.35Å
C13	C12	sing	1.40Å	1.39Å	Aromatic
C13	N17	sing	1.35Å	1.32Å
C19	N17	doub	1.30Å	1.35Å
C21	H1	sing	1.09Å	1.10Å
C21	H2	sing	1.09Å	1.10Å
C21	H3	sing	1.09Å	1.10Å
C24	H4	sing	1.08Å	1.08Å
C26	H5	sing	1.08Å	1.08Å
C28	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
O7	H13	sing	0.97Å	0.95Å
C11	H14	sing	1.08Å	1.08Å
C12	H15	sing	1.08Å	1.08Å
C19	H16	sing	1.08Å	1.08Å
C25	H17	sing	1.08Å	1.08Å
C27	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C6	C1	116.1°	118.8°
O7	C6	C5	122.8°	118.7°
C6	O7	H13	109.5°	117.0°
O22	C9	C5	117.6°	120.0°
O22	C9	C10	119.5°	120.0°
C1	C6	C5	121.0°	122.5°
C6	C1	C2	112.9°	111.1°
C6	C1	H7	108.6°	109.1°
C6	C1	H8	108.6°	109.1°
C6	C5	C9	121.2°	120.0°
C6	C5	C4	119.8°	120.1°
C21	C15	C10	115.4°	120.4°
C21	C15	C14	124.3°	120.4°
C15	C21	H1	109.5°	109.4°
C15	C21	H2	109.5°	109.5°
C15	C21	H3	109.5°	109.4°
C5	C9	C10	122.8°	120.0°
C9	C5	C4	119.0°	120.0°
C9	C10	C15	122.1°	119.9°
C9	C10	C11	117.5°	119.8°
C1	C2	C3	112.3°	109.3°
C2	C1	H7	108.6°	109.2°
C2	C1	H8	108.6°	109.1°
C1	C2	H9	108.8°	109.5°
C1	C2	H10	108.8°	109.5°
C5	C4	O8	120.6°	121.1°
C5	C4	C3	119.5°	117.7°
C10	C15	C14	120.3°	119.3°
C15	C10	C11	120.4°	120.2°
C15	C14	C16	125.5°	121.9°
C15	C14	C13	117.7°	120.2°
O20	C16	C14	123.4°	121.3°
O20	C16	N18	115.7°	121.3°
C10	C11	C12	119.7°	120.8°
C10	C11	H14	120.2°	119.6°
O8	C4	C3	119.9°	121.2°
C4	C3	C2	111.4°	107.5°
C4	C3	H11	109.0°	109.9°
C4	C3	H12	109.0°	109.9°
C3	C2	H9	108.8°	109.5°
C3	C2	H10	108.8°	109.5°
C2	C3	H11	109.0°	109.9°
C2	C3	H12	109.0°	109.8°
C14	C16	N18	120.9°	117.4°
C16	C14	C13	116.8°	118.0°
C16	N18	C23	121.7°	119.7°
C16	N18	C19	120.4°	120.6°
C14	C13	C12	121.4°	119.5°
C14	C13	N17	121.5°	119.0°
C11	C12	C13	120.4°	120.0°
C12	C11	H14	120.1°	119.6°
C11	C12	H15	119.8°	120.0°
C28	C27	C26	120.3°	120.0°
C27	C28	C23	119.9°	120.0°
C27	C28	H6	120.0°	120.0°
C28	C27	H18	119.9°	119.9°
C27	C26	C25	120.1°	120.2°
C27	C26	H5	119.9°	119.9°
C26	C27	H18	119.9°	120.0°
C28	C23	N18	123.7°	120.1°
C28	C23	C24	119.3°	119.8°
C23	C28	H6	120.1°	120.0°
C26	C25	C24	119.5°	120.0°
C25	C26	H5	119.9°	119.9°
C26	C25	H17	120.2°	120.0°
N18	C23	C24	117.0°	120.1°
C23	N18	C19	117.9°	119.7°
C23	C24	C25	120.9°	120.0°
C23	C24	H4	119.5°	120.0°
C25	C24	H4	119.5°	120.0°
C24	C25	H17	120.3°	120.0°
N18	C19	N17	119.8°	123.4°
N18	C19	H16	120.1°	118.4°
C12	C13	N17	117.1°	121.5°
C13	C12	H15	119.8°	119.9°
C13	N17	C19	120.6°	121.7°
N17	C19	H16	120.1°	118.3°
H1	C21	H2	109.5°	109.5°
H1	C21	H3	109.5°	109.5°
H2	C21	H3	109.5°	109.5°
H7	C1	H8	109.5°	109.2°
H9	C2	H10	109.5°	109.5°
H11	C3	H12	109.5°	109.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C6	C1	C5	175.4°	180.0°
O7	C6	C5	C9	10.6°	0.6°
O7	C6	C1	C2	154.8°	157.9°
O7	C6	C5	C4	170.7°	179.4°
O7	C6	C1	H7	84.7°	37.5°
O7	C6	C1	H8	34.3°	81.7°
O22	C9	C5	C6	15.2°	66.1°
O22	C9	C5	C10	176.9°	180.0°
O22	C9	C5	C4	166.0°	113.9°
O22	C9	C10	C15	81.0°	5.3°
O22	C9	C10	C11	97.9°	174.9°
C1	C6	C5	C9	164.6°	179.5°
C6	C1	C2	H7	120.5°	120.4°
C6	C1	C2	H8	120.5°	120.3°
C1	C6	C5	C4	14.2°	0.5°
C6	C1	C2	C3	52.1°	53.4°
C6	C1	H7	H8	118.4°	119.2°
C6	C1	C2	H9	172.6°	173.4°
C6	C1	C2	H10	68.3°	66.5°
C1	C6	O7	H13	172.0°	179.0°
C6	C5	C9	C4	178.8°	180.0°
C6	C5	C9	C10	161.7°	113.9°
C5	C6	C1	C2	20.6°	22.0°
C6	C5	C4	O8	161.4°	168.2°
C6	C5	C4	C3	18.0°	11.8°
C5	C6	C1	H7	99.9°	142.5°
C5	C6	C1	H8	141.1°	98.3°
C5	C6	O7	H13	3.4°	1.0°
C21	C15	C10	C9	1.0°	0.3°
C21	C15	C10	C14	179.7°	180.0°
C21	C15	C10	C11	179.8°	180.0°
C21	C15	C14	C16	0.0°	0.0°
C21	C15	C14	C13	179.6°	180.0°
C15	C21	H1	H2	120.0°	120.0°
C15	C21	H1	H3	120.0°	119.9°
C15	C21	H2	H3	120.0°	120.0°
C5	C9	C10	C15	102.2°	174.6°
C5	C9	C10	C11	78.9°	5.1°
C9	C5	C4	O8	19.9°	11.8°
C9	C5	C4	C3	160.8°	168.2°
C10	C9	C5	C4	17.1°	66.1°
C9	C10	C15	C11	178.8°	179.8°
C9	C10	C15	C14	178.7°	179.8°
C9	C10	C11	C12	178.6°	179.8°
C9	C10	C11	H14	1.4°	0.2°
C1	C2	C3	C4	47.3°	63.3°
C1	C2	C3	H9	120.4°	119.9°
C1	C2	C3	H10	120.4°	120.0°
C2	C1	H7	H8	118.4°	119.2°
C1	C2	H9	H10	118.7°	120.1°
C1	C2	C3	H11	167.6°	56.3°
C1	C2	C3	H12	73.0°	177.2°
C5	C4	O8	C3	179.3°	180.0°
C5	C4	C3	C2	13.8°	42.7°
C5	C4	C3	H11	134.1°	76.8°
C5	C4	C3	H12	106.5°	162.2°
C10	C15	C14	C16	179.6°	180.0°
C10	C15	C14	C13	0.1°	0.1°
C15	C10	C11	C12	0.2°	0.0°
C10	C15	C21	H1	90.1°	85.3°
C10	C15	C21	H2	149.9°	154.7°
C10	C15	C21	H3	29.9°	34.7°
C15	C10	C11	H14	179.8°	180.0°
C15	C14	C16	O20	0.2°	0.0°
C14	C15	C10	C11	0.1°	0.0°
C15	C14	C16	C13	179.5°	179.9°
C15	C14	C16	N18	179.3°	180.0°
C15	C14	C13	C12	0.2°	0.1°
C15	C14	C13	N17	180.0°	180.0°
C14	C15	C21	H1	90.2°	94.7°
C14	C15	C21	H2	29.8°	25.3°
C14	C15	C21	H3	149.8°	145.3°
O20	C16	C14	N18	179.1°	180.0°
O20	C16	C14	C13	179.7°	179.9°
O20	C16	N18	C23	1.8°	0.1°
O20	C16	N18	C19	179.2°	180.0°
C10	C11	C12	H14	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	H15	179.9°	180.0°
O8	C4	C3	C2	166.8°	137.3°
O8	C4	C3	H11	46.5°	103.2°
O8	C4	C3	H12	72.9°	17.8°
C4	C3	C2	H11	120.3°	119.5°
C4	C3	C2	H12	120.3°	119.5°
C4	C3	C2	H9	167.7°	176.8°
C4	C3	C2	H10	73.1°	56.7°
C4	C3	H11	H12	119.1°	121.0°
C3	C2	C1	H7	68.4°	173.8°
C3	C2	C1	H8	172.6°	66.9°
C3	C2	H9	H10	118.7°	120.1°
C2	C3	H11	H12	119.1°	120.9°
C14	C16	N18	C23	179.1°	180.0°
C14	C16	N18	C19	1.6°	0.0°
C16	C14	C13	C12	179.8°	180.0°
C16	C14	C13	N17	0.5°	0.1°
N18	C16	C14	C13	1.2°	0.0°
C16	N18	C23	C28	53.6°	67.7°
C16	N18	C23	C19	177.5°	180.0°
C16	N18	C23	C24	125.8°	112.3°
C16	N18	C19	N17	1.3°	0.0°
C16	N18	C19	H16	178.7°	180.0°
C14	C13	C12	C11	0.1°	0.1°
C14	C13	C12	N17	179.7°	179.9°
C14	C13	N17	C19	0.2°	0.1°
C14	C13	C12	H15	179.9°	179.9°
C11	C12	C13	H15	180.0°	180.0°
C11	C12	C13	N17	179.9°	180.0°
C28	C27	C26	H18	180.0°	179.7°
C27	C28	C23	H6	180.0°	179.9°
C28	C27	C26	C25	0.3°	0.3°
C27	C28	C23	N18	179.4°	179.9°
C27	C28	C23	C24	0.1°	0.0°
C28	C27	C26	H5	179.6°	179.7°
C26	C27	C28	C23	0.3°	0.3°
C27	C26	C25	H5	180.0°	179.9°
C27	C26	C25	C24	0.1°	0.0°
C26	C27	C28	H6	179.7°	179.8°
C27	C26	C25	H17	179.9°	180.0°
C28	C23	N18	C24	179.4°	180.0°
C28	C23	C24	C25	0.4°	0.2°
C28	C23	N18	C19	128.9°	112.3°
C28	C23	C24	H4	179.6°	180.0°
C23	C28	C27	H18	179.7°	180.0°
C26	C25	C24	C23	0.3°	0.2°
C26	C25	C24	H17	180.0°	180.0°
C26	C25	C24	H4	179.7°	180.0°
C25	C26	C27	H18	179.7°	179.9°
N18	C23	C24	C25	179.8°	179.8°
C23	N18	C19	N17	178.8°	179.9°
N18	C23	C24	H4	0.2°	0.1°
N18	C23	C28	H6	0.6°	0.0°
C23	N18	C19	H16	1.2°	0.1°
C23	C24	C25	H4	180.0°	179.7°
C24	C23	N18	C19	51.7°	67.7°
C24	C23	C28	H6	179.9°	180.0°
C23	C24	C25	H17	179.7°	179.7°
C24	C25	C26	H5	179.9°	179.9°
N18	C19	N17	C13	0.6°	0.1°
N18	C19	N17	H16	180.0°	180.0°
C12	C13	N17	C19	179.9°	180.0°
C13	C12	C11	H14	179.9°	180.0°
N17	C13	C12	H15	0.1°	0.0°
C13	N17	C19	H16	179.4°	179.9°
H1	C21	H2	H3	120.0°	120.0°
H4	C24	C25	H17	0.3°	0.0°
H5	C26	C25	H17	0.1°	0.0°
H5	C26	C27	H18	0.3°	0.0°
H6	C28	C27	H18	0.3°	0.1°
H7	C1	C2	H9	52.1°	66.2°
H7	C1	C2	H10	171.2°	53.9°
H8	C1	C2	H9	66.9°	53.0°
H8	C1	C2	H10	52.2°	173.1°
H9	C2	C3	H11	72.0°	63.7°
H9	C2	C3	H12	47.5°	57.3°
H10	C2	C3	H11	47.2°	176.2°
H10	C2	C3	H12	166.6°	62.8°
H14	C11	C12	H15	0.1°	0.0°

Release date:	2024-04-17
Definition date:	2023-04-19
Last modified:	2024-04-12
Release status:	REL
Processing site:	PDBJ
Derived from:	8J3C