MIY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C21	doub	0.00Å	1.23Å
C21	N2	sing	0.00Å	1.37Å
C21	C2	sing	0.00Å	1.52Å
N2	HN21	sing	0.00Å	1.00Å
N2	HN22	sing	0.00Å	1.00Å
C2	C1	sing	0.00Å	1.48Å
C2	C3	doub	0.00Å	1.39Å
C1	O1	doub	0.00Å	1.23Å
C1	C18	sing	0.00Å	1.53Å
C3	O2	sing	0.00Å	1.35Å
C3	C4	sing	0.00Å	1.57Å
O2	HO2	sing	0.00Å	0.95Å
C4	N1	sing	0.00Å	1.56Å
C4	C5	sing	0.00Å	1.57Å
C4	H4	sing	0.00Å	1.10Å
N1	C20	sing	0.00Å	1.49Å
N1	C19	sing	0.00Å	1.50Å
C20	H201	sing	0.00Å	1.10Å
C20	H202	sing	0.00Å	1.10Å
C20	H203	sing	0.00Å	1.10Å
C19	H191	sing	0.00Å	1.10Å
C19	H192	sing	0.00Å	1.10Å
C19	H193	sing	0.00Å	1.10Å
C5	C18	sing	0.00Å	1.53Å
C5	C6	sing	0.00Å	1.57Å
C5	H5	sing	0.00Å	1.10Å
C18	O7	sing	0.00Å	1.45Å
C18	C17	sing	0.00Å	1.52Å
O7	HO7	sing	0.00Å	0.95Å
C17	O6	sing	0.00Å	1.34Å
C17	C16	doub	0.00Å	1.36Å
O6	HO6	sing	0.00Å	0.95Å
C16	C7	sing	0.00Å	1.51Å
C16	C15	sing	0.00Å	1.49Å
C7	C6	sing	0.00Å	1.56Å
C7	C8	sing	0.00Å	1.55Å
C7	H7	sing	0.00Å	1.10Å
C6	H61	sing	0.00Å	1.10Å
C6	H62	sing	0.00Å	1.10Å
C15	O5	doub	0.00Å	1.23Å
C15	C14	sing	0.00Å	1.47Å
C14	C9	doub	0.00Å	1.38Å	Aromatic
C14	C13	sing	0.00Å	1.40Å	Aromatic
C9	C8	sing	0.00Å	1.55Å
C9	C10	sing	0.00Å	1.38Å	Aromatic
C8	H81	sing	0.00Å	1.10Å
C8	H82	sing	0.00Å	1.10Å
C13	O4	sing	0.00Å	1.39Å
C13	C12	doub	0.00Å	1.40Å	Aromatic
O4	HO4	sing	0.00Å	0.95Å
C12	C11	sing	0.00Å	1.38Å	Aromatic
C12	H12	sing	0.00Å	1.08Å
C11	C10	doub	0.00Å	1.40Å	Aromatic
C11	H11	sing	0.00Å	1.08Å
C10	N7	sing	0.00Å	1.37Å
N7	CN7	sing	0.00Å	1.48Å
N7	C71	sing	0.00Å	1.47Å
CN7	HN71	sing	0.00Å	1.10Å
CN7	HN72	sing	0.00Å	1.10Å
CN7	HN73	sing	0.00Å	1.10Å
C71	H711	sing	0.00Å	1.10Å
C71	H712	sing	0.00Å	1.10Å
C71	H713	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C21	N2	118.7°	90.0°
O8	C21	C2	119.4°	90.0°
N2	C21	C2	121.8°	90.0°
C21	N2	HN21	125.2°	90.0°
C21	N2	HN22	109.5°	90.0°
C21	C2	C1	115.3°	90.0°
C21	C2	C3	127.5°	90.0°
HN21	N2	HN22	125.3°	90.0°
C1	C2	C3	117.2°	90.0°
C2	C1	O1	120.3°	90.0°
C2	C1	C18	119.2°	90.0°
C2	C3	O2	118.5°	90.0°
C2	C3	C4	123.9°	90.0°
O1	C1	C18	120.5°	90.0°
C1	C18	C5	111.3°	90.0°
C1	C18	O7	103.8°	90.0°
C1	C18	C17	117.2°	90.0°
O2	C3	C4	117.5°	90.0°
C3	O2	HO2	109.5°	90.0°
C3	C4	N1	117.1°	90.0°
C3	C4	C5	112.7°	90.0°
C3	C4	H4	105.2°	90.0°
N1	C4	C5	118.5°	90.0°
N1	C4	H4	96.4°	90.0°
C4	N1	C20	115.1°	90.0°
C4	N1	C19	119.6°	90.0°
C5	C4	H4	103.1°	90.0°
C4	C5	C18	109.1°	90.0°
C4	C5	C6	118.9°	90.0°
C4	C5	H5	102.9°	90.0°
C20	N1	C19	110.1°	90.0°
N1	C20	H201	109.5°	90.0°
N1	C20	H202	109.4°	90.0°
N1	C20	H203	109.5°	90.0°
N1	C19	H191	109.5°	90.0°
N1	C19	H192	109.5°	90.0°
N1	C19	H193	109.5°	90.0°
H201	C20	H202	109.5°	90.0°
H201	C20	H203	109.4°	90.0°
H202	C20	H203	109.5°	90.0°
H191	C19	H192	109.5°	90.0°
H191	C19	H193	109.4°	90.0°
H192	C19	H193	109.5°	90.0°
C18	C5	C6	109.3°	90.0°
C18	C5	H5	113.8°	90.0°
C5	C18	O7	112.7°	90.0°
C5	C18	C17	105.8°	90.0°
C6	C5	H5	102.7°	90.0°
C5	C6	C7	116.4°	90.0°
C5	C6	H61	105.6°	90.0°
C5	C6	H62	107.2°	90.0°
O7	C18	C17	106.1°	90.0°
C18	O7	HO7	109.5°	90.0°
C18	C17	O6	112.5°	90.0°
C18	C17	C16	126.2°	90.0°
O6	C17	C16	121.2°	90.0°
C17	O6	HO6	109.5°	90.0°
C17	C16	C7	121.9°	90.0°
C17	C16	C15	119.7°	90.0°
C7	C16	C15	118.4°	90.0°
C16	C7	C6	111.8°	90.0°
C16	C7	C8	104.6°	90.0°
C16	C7	H7	113.3°	90.0°
C16	C15	O5	125.5°	90.0°
C16	C15	C14	120.1°	90.0°
C6	C7	C8	114.9°	90.0°
C6	C7	H7	102.6°	90.0°
C7	C6	H61	105.6°	90.0°
C7	C6	H62	107.2°	90.0°
C8	C7	H7	110.1°	90.0°
C7	C8	C9	112.2°	90.0°
C7	C8	H81	108.0°	90.0°
C7	C8	H82	108.6°	90.0°
H61	C6	H62	115.1°	90.0°
O5	C15	C14	114.3°	90.0°
C15	C14	C9	117.3°	90.0°
C15	C14	C13	118.5°	90.0°
C9	C14	C13	124.1°	90.0°
C14	C9	C8	120.7°	90.0°
C14	C9	C10	114.9°	90.0°
C14	C13	O4	121.0°	90.0°
C14	C13	C12	119.7°	90.0°
C8	C9	C10	124.5°	90.0°
C9	C8	H81	107.9°	90.0°
C9	C8	H82	108.6°	90.0°
C9	C10	C11	122.7°	90.0°
C9	C10	N7	120.8°	90.0°
H81	C8	H82	111.7°	90.0°
O4	C13	C12	119.4°	90.0°
C13	O4	HO4	109.5°	90.0°
C13	C12	C11	117.3°	90.0°
C13	C12	H12	121.4°	90.0°
C11	C12	H12	121.4°	90.0°
C12	C11	C10	121.4°	90.0°
C12	C11	H11	119.3°	90.0°
C10	C11	H11	119.3°	90.0°
C11	C10	N7	116.4°	90.0°
C10	N7	CN7	101.7°	90.0°
C10	N7	C71	106.4°	90.0°
CN7	N7	C71	110.4°	90.0°
N7	CN7	HN71	109.5°	90.0°
N7	CN7	HN72	109.4°	90.0°
N7	CN7	HN73	109.5°	90.0°
N7	C71	H711	109.4°	90.0°
N7	C71	H712	109.5°	90.0°
N7	C71	H713	109.5°	90.0°
HN71	CN7	HN72	109.5°	90.0°
HN71	CN7	HN73	109.5°	90.0°
HN72	CN7	HN73	109.5°	90.0°
H711	C71	H712	109.5°	90.0°
H711	C71	H713	109.4°	90.0°
H712	C71	H713	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C21	N2	C2	176.5°	90.0°
O8	C21	N2	HN21	178.4°	90.0°
O8	C21	N2	HN22	1.7°	90.0°
O8	C21	C2	C1	114.2°	90.0°
O8	C21	C2	C3	64.1°	90.0°
C21	N2	HN21	HN22	180.0°	90.0°
N2	C21	C2	C1	62.3°	90.0°
N2	C21	C2	C3	119.4°	90.0°
C2	C21	N2	HN21	1.8°	90.0°
C2	C21	N2	HN22	178.2°	90.0°
C21	C2	C1	C3	178.5°	90.0°
C21	C2	C1	O1	2.1°	90.0°
C21	C2	C1	C18	174.7°	90.0°
C21	C2	C3	O2	11.3°	90.0°
C21	C2	C3	C4	166.3°	90.0°
C2	C1	O1	C18	176.8°	90.0°
C1	C2	C3	O2	167.0°	90.0°
C1	C2	C3	C4	15.4°	90.0°
C2	C1	C18	C5	42.1°	90.0°
C2	C1	C18	O7	79.4°	90.0°
C2	C1	C18	C17	164.0°	90.0°
C3	C2	C1	O1	179.4°	90.0°
C3	C2	C1	C18	3.8°	90.0°
C2	C3	O2	C4	177.7°	90.0°
C2	C3	O2	HO2	1.2°	90.0°
C2	C3	C4	N1	138.5°	90.0°
C2	C3	C4	C5	4.3°	90.0°
C2	C3	C4	H4	115.9°	90.0°
O1	C1	C18	C5	141.1°	90.0°
O1	C1	C18	O7	97.4°	90.0°
O1	C1	C18	C17	19.2°	90.0°
C1	C18	C5	C4	59.0°	90.0°
C1	C18	C5	O7	116.1°	90.0°
C1	C18	C5	C17	128.4°	90.0°
C1	C18	C5	C6	72.5°	90.0°
C1	C18	C5	H5	173.3°	90.0°
C1	C18	O7	C17	124.1°	90.0°
C1	C18	O7	HO7	1.2°	90.0°
C1	C18	C17	O6	97.4°	90.0°
C1	C18	C17	C16	85.4°	90.0°
O2	C3	C4	N1	43.9°	90.0°
O2	C3	C4	C5	173.3°	90.0°
O2	C3	C4	H4	61.7°	90.0°
C4	C3	O2	HO2	179.0°	90.0°
C3	C4	N1	C5	140.6°	90.0°
C3	C4	N1	H4	110.7°	90.0°
C3	C4	C5	H4	112.9°	90.0°
C3	C4	N1	C20	153.6°	90.0°
C3	C4	N1	C19	19.0°	90.0°
C3	C4	C5	C18	41.1°	90.0°
C3	C4	C5	C6	85.1°	90.0°
C3	C4	C5	H5	162.2°	90.0°
N1	C4	C5	H4	104.8°	90.0°
C4	N1	C20	C19	138.8°	90.0°
C4	N1	C20	H201	121.1°	90.0°
C4	N1	C20	H202	1.1°	90.0°
C4	N1	C20	H203	118.9°	90.0°
C4	N1	C19	H191	159.0°	90.0°
C4	N1	C19	H192	81.0°	90.0°
C4	N1	C19	H193	39.0°	90.0°
N1	C4	C5	C18	101.2°	90.0°
N1	C4	C5	C6	132.6°	90.0°
N1	C4	C5	H5	20.0°	90.0°
C5	C4	N1	C20	13.0°	90.0°
C5	C4	N1	C19	121.6°	90.0°
C4	C5	C18	C6	131.5°	90.0°
C4	C5	C18	H5	114.3°	90.0°
C4	C5	C6	H5	112.8°	90.0°
C4	C5	C18	O7	57.1°	90.0°
C4	C5	C18	C17	172.6°	90.0°
C4	C5	C6	C7	178.1°	90.0°
C4	C5	C6	H61	61.2°	90.0°
C4	C5	C6	H62	61.9°	90.0°
H4	C4	N1	C20	95.7°	90.0°
H4	C4	N1	C19	129.7°	90.0°
H4	C4	C5	C18	154.0°	90.0°
H4	C4	C5	C6	27.8°	90.0°
H4	C4	C5	H5	84.8°	90.0°
N1	C20	H201	H202	120.0°	90.0°
N1	C20	H201	H203	120.0°	90.0°
N1	C20	H202	H203	120.0°	90.0°
C20	N1	C19	H191	64.3°	90.0°
C20	N1	C19	H192	55.7°	90.0°
C20	N1	C19	H193	175.7°	90.0°
C19	N1	C20	H201	100.1°	90.0°
C19	N1	C20	H202	139.8°	90.0°
C19	N1	C20	H203	19.9°	90.0°
N1	C19	H191	H192	120.0°	90.0°
N1	C19	H191	H193	120.0°	90.0°
N1	C19	H192	H193	120.0°	90.0°
H201	C20	H202	H203	120.0°	90.0°
H191	C19	H192	H193	120.0°	90.0°
C18	C5	C6	H5	121.2°	90.0°
C5	C18	O7	C17	115.4°	90.0°
C5	C18	O7	HO7	119.3°	90.0°
C5	C18	C17	O6	137.9°	90.0°
C5	C18	C17	C16	39.4°	90.0°
C18	C5	C6	C7	55.9°	90.0°
C18	C5	C6	H61	172.7°	90.0°
C18	C5	C6	H62	64.1°	90.0°
C6	C5	C18	O7	171.4°	90.0°
C6	C5	C18	C17	55.9°	90.0°
C5	C6	C7	C16	28.2°	90.0°
C5	C6	C7	H61	116.8°	90.0°
C5	C6	C7	H62	120.0°	90.0°
C5	C6	C7	C8	147.1°	90.0°
C5	C6	C7	H7	93.4°	90.0°
C5	C6	H61	H62	118.0°	90.0°
H5	C5	C18	O7	57.2°	90.0°
H5	C5	C18	C17	58.3°	90.0°
H5	C5	C6	C7	65.3°	90.0°
H5	C5	C6	H61	51.5°	90.0°
H5	C5	C6	H62	174.7°	90.0°
O7	C18	C17	O6	17.9°	90.0°
O7	C18	C17	C16	159.3°	90.0°
C17	C18	O7	HO7	125.4°	90.0°
C18	C17	O6	C16	177.4°	90.0°
C18	C17	O6	HO6	53.0°	90.0°
C18	C17	C16	C7	13.9°	90.0°
C18	C17	C16	C15	164.5°	90.0°
O6	C17	C16	C7	163.2°	90.0°
O6	C17	C16	C15	18.4°	90.0°
C16	C17	O6	HO6	129.6°	90.0°
C17	C16	C7	C15	178.4°	90.0°
C17	C16	C7	C6	6.5°	90.0°
C17	C16	C7	C8	131.4°	90.0°
C17	C16	C7	H7	108.8°	90.0°
C17	C16	C15	O5	10.3°	90.0°
C17	C16	C15	C14	165.3°	90.0°
C16	C7	C6	C8	118.9°	90.0°
C16	C7	C6	H7	121.7°	90.0°
C16	C7	C8	H7	122.0°	90.0°
C16	C7	C6	H61	145.0°	90.0°
C16	C7	C6	H62	91.8°	90.0°
C7	C16	C15	O5	171.3°	90.0°
C7	C16	C15	C14	13.1°	90.0°
C16	C7	C8	C9	57.0°	90.0°
C16	C7	C8	H81	175.8°	90.0°
C16	C7	C8	H82	63.0°	90.0°
C15	C16	C7	C6	171.9°	90.0°
C15	C16	C7	C8	47.1°	90.0°
C15	C16	C7	H7	72.8°	90.0°
C16	C15	O5	C14	175.8°	90.0°
C16	C15	C14	C9	14.1°	90.0°
C16	C15	C14	C13	167.5°	90.0°
C6	C7	C8	H7	115.1°	90.0°
C7	C6	H61	H62	118.1°	90.0°
C6	C7	C8	C9	179.9°	90.0°
C6	C7	C8	H81	61.3°	90.0°
C6	C7	C8	H82	59.9°	90.0°
C8	C7	C6	H61	96.1°	90.0°
C8	C7	C6	H62	27.1°	90.0°
C7	C8	C9	C14	36.1°	90.0°
C7	C8	C9	H81	118.8°	90.0°
C7	C8	C9	H82	120.0°	90.0°
C7	C8	C9	C10	143.1°	90.0°
C7	C8	H81	H82	119.3°	90.0°
H7	C7	C6	H61	23.4°	90.0°
H7	C7	C6	H62	146.6°	90.0°
H7	C7	C8	C9	65.0°	90.0°
H7	C7	C8	H81	53.8°	90.0°
H7	C7	C8	H82	175.0°	90.0°
O5	C15	C14	C9	161.9°	90.0°
O5	C15	C14	C13	16.4°	90.0°
C15	C14	C9	C13	178.3°	90.0°
C15	C14	C9	C8	1.6°	90.0°
C15	C14	C9	C10	179.1°	90.0°
C15	C14	C13	O4	2.2°	90.0°
C15	C14	C13	C12	179.1°	90.0°
C14	C9	C8	C10	179.2°	90.0°
C14	C9	C8	H81	154.9°	90.0°
C14	C9	C8	H82	83.9°	90.0°
C9	C14	C13	O4	179.6°	90.0°
C9	C14	C13	C12	0.9°	90.0°
C14	C9	C10	C11	0.3°	90.0°
C14	C9	C10	N7	176.8°	90.0°
C13	C14	C9	C8	179.9°	90.0°
C13	C14	C9	C10	0.8°	90.0°
C14	C13	O4	C12	178.7°	90.0°
C14	C13	O4	HO4	56.9°	90.0°
C14	C13	C12	C11	0.3°	90.0°
C14	C13	C12	H12	179.7°	90.0°
C9	C8	H81	H82	119.2°	90.0°
C8	C9	C10	C11	179.5°	90.0°
C8	C9	C10	N7	4.0°	90.0°
C10	C9	C8	H81	24.3°	90.0°
C10	C9	C8	H82	96.9°	90.0°
C9	C10	C11	C12	0.2°	90.0°
C9	C10	C11	N7	176.7°	90.0°
C9	C10	C11	H11	179.8°	90.0°
C9	C10	N7	CN7	91.5°	90.0°
C9	C10	N7	C71	152.9°	90.0°
O4	C13	C12	C11	179.0°	90.0°
O4	C13	C12	H12	0.9°	90.0°
C12	C13	O4	HO4	124.4°	90.0°
C13	C12	C11	H12	180.0°	90.0°
C13	C12	C11	C10	0.2°	90.0°
C13	C12	C11	H11	179.8°	90.0°
C12	C11	C10	H11	180.0°	90.0°
C12	C11	C10	N7	176.5°	90.0°
H12	C12	C11	C10	179.8°	90.0°
H12	C12	C11	H11	0.2°	90.0°
C11	C10	N7	CN7	85.2°	90.0°
C11	C10	N7	C71	30.4°	90.0°
H11	C11	C10	N7	3.6°	90.0°
C10	N7	CN7	C71	112.7°	90.0°
C10	N7	CN7	HN71	174.9°	90.0°
C10	N7	CN7	HN72	55.0°	90.0°
C10	N7	CN7	HN73	65.0°	90.0°
C10	N7	C71	H711	147.4°	90.0°
C10	N7	C71	H712	92.6°	90.0°
C10	N7	C71	H713	27.4°	90.0°
N7	CN7	HN71	HN72	120.0°	90.0°
N7	CN7	HN71	HN73	120.0°	90.0°
N7	CN7	HN72	HN73	120.0°	90.0°
CN7	N7	C71	H711	103.0°	90.0°
CN7	N7	C71	H712	17.0°	90.0°
CN7	N7	C71	H713	137.0°	90.0°
C71	N7	CN7	HN71	72.4°	90.0°
C71	N7	CN7	HN72	167.6°	90.0°
C71	N7	CN7	HN73	47.6°	90.0°
N7	C71	H711	H712	120.0°	90.0°
N7	C71	H711	H713	120.0°	90.0°
N7	C71	H712	H713	120.1°	90.0°
HN71	CN7	HN72	HN73	120.0°	90.0°
H711	C71	H712	H713	120.0°	90.0°

Definition date:	2006-06-09
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB