MI1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.52Å
C1	C6	sing	1.53Å	1.57Å
C1	N8	sing	1.47Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
N3	C2	sing	1.47Å	1.47Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
N3	C4	sing	1.47Å	1.49Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.54Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C7	C6	sing	1.53Å	1.55Å
C6	H6	sing	1.09Å	1.10Å
C20	N3	sing	1.35Å	1.32Å
O21	C20	doub	1.21Å	1.23Å
C22	C20	sing	1.51Å	1.51Å
C23	C22	sing	1.47Å	1.47Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
N24	C23	trip	1.14Å	1.16Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
C9	N8	sing	1.47Å	1.47Å
N8	C10	sing	1.38Å	1.38Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C9	H9B	sing	1.09Å	1.10Å
C10	N19	doub	1.33Å	1.38Å	Aromatic
C10	C15	sing	1.40Å	1.41Å	Aromatic
C15	C16	sing	1.46Å	1.45Å	Aromatic
C15	C14	doub	1.41Å	1.38Å	Aromatic
C16	C11	doub	1.34Å	1.38Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C11	N12	sing	1.37Å	1.38Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C14	N12	sing	1.37Å	1.35Å	Aromatic
C14	N17	sing	1.33Å	1.34Å	Aromatic
C18	N17	doub	1.32Å	1.36Å	Aromatic
N19	C18	sing	1.32Å	1.37Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
N12	HN12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	104.9°	109.3°
C2	C1	N8	112.4°	109.5°
C2	C1	H1	110.2°	109.6°
C1	C2	N3	105.6°	108.8°
C1	C2	H2	110.8°	109.6°
C1	C2	H2A	111.6°	109.6°
C6	C1	N8	108.4°	109.5°
C6	C1	H1	114.1°	109.5°
C1	C6	C5	112.8°	109.5°
C1	C6	C7	118.9°	109.5°
C1	C6	H6	99.1°	109.5°
N8	C1	H1	106.8°	109.5°
C1	N8	C9	122.6°	111.0°
C1	N8	C10	122.8°	111.0°
N3	C2	H2	110.8°	109.5°
N3	C2	H2A	111.6°	109.7°
C2	N3	C4	117.8°	118.7°
C2	N3	C20	120.5°	120.6°
H2	C2	H2A	106.5°	109.6°
N3	C4	C5	105.8°	108.8°
N3	C4	H4	110.7°	109.6°
N3	C4	H4A	111.5°	109.7°
C4	N3	C20	121.7°	120.7°
C5	C4	H4	110.7°	109.6°
C5	C4	H4A	111.5°	109.6°
C4	C5	C6	113.1°	109.3°
C4	C5	H5	108.3°	109.5°
C4	C5	H5A	107.5°	109.5°
H4	C4	H4A	106.7°	109.6°
C6	C5	H5	108.3°	109.5°
C6	C5	H5A	107.5°	109.5°
C5	C6	C7	107.3°	109.4°
C5	C6	H6	112.8°	109.5°
H5	C5	H5A	112.4°	109.5°
C7	C6	H6	105.6°	109.4°
C6	C7	H7	109.5°	109.4°
C6	C7	H7A	109.4°	109.5°
C6	C7	H7B	109.5°	109.5°
N3	C20	O21	122.4°	120.0°
N3	C20	C22	117.4°	120.0°
O21	C20	C22	120.2°	120.0°
C20	C22	C23	108.3°	109.5°
C20	C22	H22	109.9°	109.4°
C20	C22	H22A	110.1°	109.5°
C23	C22	H22	109.8°	109.5°
C23	C22	H22A	110.1°	109.5°
C22	C23	N24	177.3°	180.0°
H22	C22	H22A	108.6°	109.5°
H7	C7	H7A	109.5°	109.5°
H7	C7	H7B	109.4°	109.5°
H7A	C7	H7B	109.5°	109.5°
C9	N8	C10	114.6°	111.0°
N8	C9	H9	109.5°	109.5°
N8	C9	H9A	109.5°	109.5°
N8	C9	H9B	109.4°	109.5°
N8	C10	N19	119.2°	120.8°
N8	C10	C15	122.6°	120.8°
H9	C9	H9A	109.4°	109.4°
H9	C9	H9B	109.5°	109.4°
H9A	C9	H9B	109.5°	109.5°
N19	C10	C15	118.2°	118.3°
C10	N19	C18	119.4°	121.1°
C10	C15	C16	133.6°	135.1°
C10	C15	C14	117.8°	118.6°
C16	C15	C14	108.6°	106.2°
C15	C16	C11	103.6°	106.8°
C15	C16	H16	128.2°	126.6°
C15	C14	N12	108.0°	107.1°
C15	C14	N17	125.1°	118.6°
C11	C16	H16	128.2°	126.5°
C16	C11	N12	110.4°	109.8°
C16	C11	H11	124.8°	125.1°
N12	C11	H11	124.8°	125.1°
C11	N12	C14	109.3°	110.0°
C11	N12	HN12	125.4°	125.0°
N12	C14	N17	126.9°	134.3°
C14	N12	HN12	125.3°	125.0°
C14	N17	C18	115.0°	120.7°
N17	C18	N19	124.5°	122.7°
N17	C18	H18	117.7°	118.7°
N19	C18	H18	117.7°	118.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	N8	120.3°	119.9°
C2	C1	C6	H1	120.7°	120.0°
C2	C1	N8	H1	121.1°	120.1°
C1	C2	N3	H2	120.0°	119.8°
C1	C2	N3	H2A	121.5°	119.9°
C1	C2	H2	H2A	121.6°	120.4°
C1	C2	N3	C4	69.8°	53.6°
C2	C1	C6	C5	58.9°	61.4°
C2	C1	C6	C7	68.0°	58.6°
C2	C1	C6	H6	178.5°	178.6°
C1	C2	N3	C20	113.8°	126.3°
C2	C1	N8	C9	17.2°	50.7°
C2	C1	N8	C10	163.3°	174.6°
C6	C1	N8	H1	123.4°	120.1°
C6	C1	C2	N3	63.1°	54.7°
C6	C1	C2	H2	177.0°	174.4°
C6	C1	C2	H2A	58.4°	65.2°
C1	C6	C5	C4	51.9°	61.4°
C1	C6	C5	C7	132.8°	120.1°
C1	C6	C5	H6	111.3°	120.0°
C1	C6	C5	H5	68.0°	58.6°
C1	C6	C5	H5A	170.4°	178.6°
C1	C6	C7	H6	110.0°	120.0°
C1	C6	C7	H7	75.8°	63.9°
C1	C6	C7	H7A	44.2°	176.1°
C1	C6	C7	H7B	164.2°	56.1°
C6	C1	N8	C9	98.4°	170.5°
C6	C1	N8	C10	81.1°	65.7°
N8	C1	C2	N3	179.3°	174.5°
N8	C1	C2	H2	59.3°	65.7°
N8	C1	C2	H2A	59.2°	54.6°
N8	C1	C6	C5	179.3°	178.7°
N8	C1	C6	C7	52.4°	61.3°
N8	C1	C6	H6	61.2°	58.7°
C1	N8	C9	C10	179.5°	123.9°
C1	N8	C9	H9	26.2°	53.9°
C1	N8	C9	H9A	146.2°	173.9°
C1	N8	C9	H9B	93.8°	66.1°
C1	N8	C10	N19	178.2°	17.2°
C1	N8	C10	C15	0.2°	163.0°
H1	C1	C2	N3	60.2°	65.4°
H1	C1	C2	H2	59.8°	54.4°
H1	C1	C2	H2A	178.3°	174.8°
H1	C1	C6	C5	61.8°	58.6°
H1	C1	C6	C7	171.3°	178.7°
H1	C1	C6	H6	57.7°	61.4°
H1	C1	N8	C9	138.2°	69.5°
H1	C1	N8	C10	42.3°	54.4°
N3	C2	H2	H2A	121.6°	120.4°
C2	N3	C4	C20	176.3°	179.9°
C2	N3	C4	C5	58.5°	53.6°
C2	N3	C4	H4	178.5°	66.2°
C2	N3	C4	H4A	62.9°	173.4°
C2	N3	C20	O21	1.8°	0.1°
C2	N3	C20	C22	179.8°	180.0°
H2	C2	N3	C4	170.2°	173.4°
H2	C2	N3	C20	6.2°	6.5°
H2A	C2	N3	C4	51.6°	66.3°
H2A	C2	N3	C20	124.7°	113.8°
N3	C4	C5	H4	120.0°	119.8°
N3	C4	C5	H4A	121.4°	119.9°
N3	C4	H4	H4A	121.5°	120.4°
N3	C4	C5	C6	46.4°	54.6°
N3	C4	C5	H5	73.6°	65.4°
N3	C4	C5	H5A	164.8°	174.6°
C4	N3	C20	O21	178.1°	180.0°
C4	N3	C20	C22	4.0°	0.0°
C5	C4	H4	H4A	121.4°	120.3°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	118.4°	120.0°
C4	C5	H5	H5A	118.5°	120.1°
C4	C5	C6	C7	80.9°	58.7°
C4	C5	C6	H6	163.2°	178.6°
C5	C4	N3	C20	125.2°	126.3°
H4	C4	C5	C6	166.4°	65.2°
H4	C4	C5	H5	46.4°	174.8°
H4	C4	C5	H5A	75.2°	54.8°
H4	C4	N3	C20	5.2°	113.9°
H4A	C4	C5	C6	75.0°	174.5°
H4A	C4	C5	H5	165.0°	54.5°
H4A	C4	C5	H5A	43.4°	65.5°
H4A	C4	N3	C20	113.4°	6.5°
C6	C5	H5	H5A	118.5°	120.1°
C5	C6	C7	H6	120.5°	119.9°
C5	C6	C7	H7	53.7°	176.0°
C5	C6	C7	H7A	173.7°	56.0°
C5	C6	C7	H7B	66.3°	64.0°
H5	C5	C6	C7	159.1°	178.7°
H5	C5	C6	H6	43.2°	61.4°
H5A	C5	C6	C7	37.5°	61.3°
H5A	C5	C6	H6	78.4°	58.6°
C6	C7	H7	H7A	120.0°	120.1°
C6	C7	H7	H7B	120.0°	120.0°
C6	C7	H7A	H7B	120.0°	120.0°
H6	C6	C7	H7	174.2°	56.1°
H6	C6	C7	H7A	65.8°	63.9°
H6	C6	C7	H7B	54.2°	176.0°
N3	C20	O21	C22	177.9°	180.0°
N3	C20	C22	C23	172.7°	180.0°
N3	C20	C22	H22	67.3°	60.0°
N3	C20	C22	H22A	52.2°	60.0°
O21	C20	C22	C23	5.4°	0.0°
O21	C20	C22	H22	114.6°	120.0°
O21	C20	C22	H22A	125.8°	120.0°
C20	C22	C23	H22	120.0°	120.0°
C20	C22	C23	H22A	120.5°	120.0°
C20	C22	H22	H22A	120.5°	120.0°
C20	C22	C23	N24	173.0°	2.3°
C23	C22	H22	H22A	120.5°	120.0°
H22	C22	C23	N24	53.0°	117.7°
H22A	C22	C23	N24	66.5°	122.3°
H7	C7	H7A	H7B	120.0°	120.0°
N8	C9	H9	H9A	120.0°	120.1°
N8	C9	H9	H9B	120.0°	120.0°
N8	C9	H9A	H9B	120.0°	120.1°
C9	N8	C10	N19	1.4°	106.7°
C9	N8	C10	C15	179.3°	73.0°
C10	N8	C9	H9	154.3°	70.0°
C10	N8	C9	H9A	34.3°	50.0°
C10	N8	C9	H9B	85.7°	170.0°
N8	C10	N19	C15	178.1°	179.8°
N8	C10	C15	C16	2.5°	0.1°
N8	C10	C15	C14	178.2°	180.0°
N8	C10	N19	C18	177.4°	179.7°
H9	C9	H9A	H9B	120.0°	119.9°
N19	C10	C15	C16	179.5°	179.8°
N19	C10	C15	C14	0.2°	0.2°
C10	N19	C18	N17	1.2°	0.5°
C10	N19	C18	H18	178.8°	179.7°
C10	C15	C16	C14	179.3°	180.0°
C10	C15	C16	C11	179.9°	180.0°
C10	C15	C16	H16	0.1°	0.0°
C10	C15	C14	N12	179.3°	180.0°
C10	C15	C14	N17	0.7°	0.0°
C15	C10	N19	C18	0.6°	0.5°
C15	C16	C11	H16	180.0°	179.9°
C15	C16	C11	N12	1.1°	0.0°
C15	C16	C11	H11	178.8°	180.0°
C16	C15	C14	N12	0.1°	0.0°
C16	C15	C14	N17	179.9°	180.0°
C14	C15	C16	C11	0.6°	0.0°
C14	C15	C16	H16	179.4°	180.0°
C15	C14	N12	C11	0.8°	0.0°
C15	C14	N12	N17	180.0°	180.0°
C15	C14	N17	C18	0.3°	0.0°
C15	C14	N12	HN12	179.2°	180.0°
C16	C11	N12	H11	180.0°	179.9°
C16	C11	N12	C14	1.3°	0.0°
C16	C11	N12	HN12	178.8°	180.0°
H16	C16	C11	N12	178.9°	180.0°
H16	C16	C11	H11	1.1°	0.1°
C11	N12	C14	HN12	180.0°	180.0°
C11	N12	C14	N17	179.1°	180.0°
H11	C11	N12	C14	178.7°	180.0°
H11	C11	N12	HN12	1.3°	0.0°
N12	C14	N17	C18	179.8°	180.0°
C14	N17	C18	N19	0.7°	0.3°
C14	N17	C18	H18	179.3°	180.0°
N17	C14	N12	HN12	0.8°	0.0°
N17	C18	N19	H18	180.0°	179.8°

Definition date:	2008-10-24
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	3EYG