8MQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C2	doub	1.21Å	1.22Å
C1	C2	sing	1.51Å	1.55Å
C2	C3	sing	1.42Å	1.46Å
C3	C4	doub	1.38Å	1.37Å	Aromatic
C3	C6	sing	1.48Å	1.45Å	Aromatic
C4	N	sing	1.35Å	1.37Å	Aromatic
C7	C6	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.40Å	1.41Å	Aromatic
N	C5	sing	1.38Å	1.38Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
C5	C10	doub	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.07Å
N	H9	sing	0.97Å	1.00Å
C1	C11	sing	1.53Å	141.50Å
C1	N1	sing	1.47Å	141.50Å
N1	C14	sing	1.40Å	0.00Å
C14	C12	sing	1.54Å	0.00Å
C12	C15	sing	1.51Å	0.00Å
C15	C16	sing	1.54Å	0.00Å
C16	C17	sing	1.54Å	0.00Å
C17	C18	sing	1.51Å	0.00Å
C18	N1	sing	1.48Å	0.00Å
C11	H7	sing	1.09Å	0.00Å
C11	H8	sing	1.09Å	0.00Å
C11	H10	sing	1.09Å	0.00Å
C14	H11	sing	1.09Å	0.00Å
C14	H12	sing	1.09Å	0.00Å
C12	H13	sing	1.09Å	0.00Å
C12	H14	sing	1.09Å	0.00Å
C15	H15	sing	1.09Å	0.00Å
C15	H16	sing	1.09Å	0.00Å
C16	H17	sing	1.09Å	0.00Å
C16	H18	sing	1.09Å	0.00Å
C17	H19	sing	1.09Å	0.00Å
C17	H20	sing	1.09Å	0.00Å
C18	H21	sing	1.09Å	0.00Å
C18	H22	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C2	C1	119.4°	120.0°
O	C2	C3	123.5°	120.0°
C1	C2	C3	117.1°	120.0°
C2	C1	H6	109.5°	109.4°
C2	C1	C11	24.9°	109.5°
C2	C1	N1	24.9°	109.5°
C2	C3	C4	122.3°	126.9°
C2	C3	C6	131.5°	126.9°
C4	C3	C6	106.2°	106.1°
C3	C4	N	110.2°	109.7°
C3	C4	H1	124.9°	125.2°
C3	C6	C7	135.0°	133.9°
C3	C6	C5	106.5°	105.9°
C4	N	C5	109.3°	110.7°
N	C4	H1	124.9°	125.2°
C4	N	H9	125.4°	124.7°
C6	C7	C8	119.8°	119.7°
C7	C6	C5	118.4°	120.2°
C6	C7	H2	120.1°	120.2°
C7	C8	C9	120.9°	120.3°
C8	C7	H2	120.1°	120.2°
C7	C8	H3	119.6°	119.9°
C6	C5	N	107.8°	107.7°
C6	C5	C10	121.9°	119.3°
N	C5	C10	130.3°	133.0°
C5	N	H9	125.3°	124.6°
C8	C9	C10	120.7°	120.6°
C9	C8	H3	119.6°	119.8°
C8	C9	H4	119.6°	119.7°
C5	C10	C9	118.3°	119.9°
C5	C10	H5	120.8°	120.1°
C10	C9	H4	119.7°	119.7°
C9	C10	H5	120.8°	120.0°
H6	C1	C11	84.9°	109.5°
H6	C1	N1	84.9°	109.5°
C11	C1	N1	0.0°	109.5°
C1	C11	H7	90.0°	109.4°
C1	C11	H8	90.0°	109.5°
C1	C11	H10	90.0°	109.5°
C1	N1	C14	90.0°	111.0°
C1	N1	C18	90.0°	111.0°
N1	C14	C12	90.0°	111.8°
C14	N1	C18	90.0°	114.7°
N1	C14	H11	90.0°	109.0°
N1	C14	H12	90.0°	109.0°
C14	C12	C15	90.0°	109.0°
C12	C14	H11	90.0°	109.0°
C12	C14	H12	90.0°	109.0°
C14	C12	H13	90.0°	109.6°
C14	C12	H14	90.0°	109.6°
C12	C15	C16	90.0°	112.6°
C15	C12	H13	90.0°	109.6°
C15	C12	H14	90.0°	109.5°
C12	C15	H15	90.0°	108.9°
C12	C15	H16	90.0°	108.9°
C15	C16	C17	90.0°	112.0°
C16	C15	H15	90.0°	108.8°
C16	C15	H16	90.0°	108.8°
C15	C16	H17	90.0°	109.0°
C15	C16	H18	90.0°	109.0°
C16	C17	C18	90.0°	111.6°
C17	C16	H17	90.0°	109.0°
C17	C16	H18	90.0°	109.0°
C16	C17	H19	90.0°	109.0°
C16	C17	H20	90.0°	109.1°
C17	C18	N1	90.0°	108.1°
C18	C17	H19	90.0°	109.1°
C18	C17	H20	90.0°	109.1°
C17	C18	H21	90.0°	109.8°
C17	C18	H22	90.0°	109.7°
N1	C18	H21	90.0°	109.7°
N1	C18	H22	90.0°	109.7°
H7	C11	H8	90.0°	109.5°
H7	C11	H10	90.0°	109.4°
H8	C11	H10	90.0°	109.5°
H11	C14	H12	90.0°	108.9°
H13	C12	H14	90.0°	109.6°
H15	C15	H16	90.0°	108.8°
H17	C16	H18	90.0°	108.9°
H19	C17	H20	90.0°	109.0°
H21	C18	H22	90.0°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C2	C1	C3	179.7°	179.9°
O	C2	C3	C4	9.6°	180.0°
O	C2	C3	C6	166.9°	0.1°
O	C2	C1	H6	0.3°	144.3°
O	C2	C1	C11	9.2°	95.7°
O	C2	C1	N1	9.2°	24.4°
C1	C2	C3	C4	170.7°	0.1°
C1	C2	C3	C6	12.8°	180.0°
C2	C1	H6	C11	4.0°	120.0°
C2	C1	H6	N1	4.0°	120.0°
C2	C1	C11	N1	90.0°	120.0°
C2	C1	N1	C14	90.0°	58.3°
C2	C1	N1	C18	90.0°	172.8°
C2	C1	C11	H7	90.0°	69.1°
C2	C1	C11	H8	90.0°	170.9°
C2	C1	C11	H10	90.0°	50.8°
C2	C3	C4	C6	177.3°	179.9°
C2	C3	C4	N	177.0°	179.9°
C2	C3	C6	C7	2.2°	0.3°
C2	C3	C6	C5	176.5°	179.7°
C2	C3	C4	H1	3.0°	0.4°
C3	C2	C1	H6	180.0°	35.8°
C3	C2	C1	C11	170.5°	84.2°
C3	C2	C1	N1	170.5°	155.7°
C3	C4	N	H1	180.0°	179.7°
C4	C3	C6	C7	179.2°	179.8°
C4	C3	C6	C5	0.4°	0.2°
C3	C4	N	C5	0.0°	0.3°
C3	C4	N	H9	180.0°	179.8°
C6	C3	C4	N	0.3°	0.0°
C3	C6	C7	C5	178.6°	180.0°
C3	C6	C7	C8	178.6°	180.0°
C3	C6	C5	N	0.4°	0.4°
C3	C6	C5	C10	178.9°	180.0°
C6	C3	C4	H1	179.7°	179.7°
C3	C6	C7	H2	1.4°	0.0°
C4	N	C5	C6	0.3°	0.4°
C4	N	C5	H9	180.0°	180.0°
C4	N	C5	C10	179.0°	179.9°
C6	C7	C8	H2	180.0°	180.0°
C7	C6	C5	N	179.4°	179.6°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	C5	C10	0.1°	0.0°
C6	C7	C8	H3	179.9°	180.0°
C8	C7	C6	C5	0.0°	0.0°
C7	C8	C9	H3	180.0°	180.0°
C7	C8	C9	C10	0.3°	0.1°
C7	C8	C9	H4	179.7°	180.0°
C6	C5	N	C10	179.3°	179.5°
C6	C5	C10	C9	0.2°	0.1°
C5	C6	C7	H2	180.0°	180.0°
C6	C5	C10	H5	179.8°	180.0°
C6	C5	N	H9	179.7°	179.6°
N	C5	C10	C9	179.4°	179.6°
C5	N	C4	H1	180.0°	180.0°
N	C5	C10	H5	0.6°	0.5°
C8	C9	C10	C5	0.3°	0.1°
C8	C9	C10	H4	180.0°	179.9°
C9	C8	C7	H2	179.9°	180.0°
C8	C9	C10	H5	179.7°	179.9°
C5	C10	C9	H5	180.0°	179.9°
C5	C10	C9	H4	179.7°	179.9°
C10	C5	N	H9	1.0°	0.1°
C10	C9	C8	H3	179.7°	179.9°
H1	C4	N	H9	0.0°	0.1°
H2	C7	C8	H3	0.1°	0.0°
H3	C8	C9	H4	0.3°	0.0°
H4	C9	C10	H5	0.3°	0.0°
H6	C1	C11	N1	90.0°	120.0°
H6	C1	N1	C14	90.0°	61.7°
H6	C1	N1	C18	90.0°	67.2°
H6	C1	C11	H7	90.0°	170.9°
H6	C1	C11	H8	90.0°	50.9°
H6	C1	C11	H10	90.0°	69.1°
C11	C1	N1	C14	90.0°	178.3°
C11	C1	N1	C18	90.0°	52.7°
C1	C11	H7	H8	90.0°	120.0°
C1	C11	H7	H10	90.0°	119.9°
C1	C11	H8	H10	90.0°	120.0°
C1	N1	C14	C18	90.0°	126.9°
C1	N1	C14	C12	90.0°	170.8°
C1	N1	C18	C17	90.0°	150.3°
N1	C1	C11	H7	90.0°	51.0°
N1	C1	C11	H8	90.0°	69.1°
N1	C1	C11	H10	90.0°	170.9°
C1	N1	C14	H11	90.0°	50.2°
C1	N1	C14	H12	90.0°	68.6°
C1	N1	C18	H21	90.0°	90.0°
C1	N1	C18	H22	90.0°	30.7°
N1	C14	C12	H11	90.0°	120.6°
N1	C14	C12	H12	90.0°	120.6°
N1	C14	C12	C15	90.0°	77.4°
C14	N1	C18	C17	90.0°	82.8°
N1	C14	H11	H12	90.0°	118.8°
N1	C14	C12	H13	90.0°	42.5°
N1	C14	C12	H14	90.0°	162.7°
C14	N1	C18	H21	90.0°	36.9°
C14	N1	C18	H22	90.0°	157.6°
C14	C12	C15	H13	90.0°	119.9°
C14	C12	C15	H14	90.0°	119.9°
C14	C12	C15	C16	90.0°	93.0°
C12	C14	N1	C18	90.0°	62.2°
C12	C14	H11	H12	90.0°	118.9°
C14	C12	H13	H14	90.0°	120.3°
C14	C12	C15	H15	90.0°	146.2°
C14	C12	C15	H16	90.0°	27.7°
C12	C15	C16	H15	90.0°	120.8°
C12	C15	C16	H16	90.0°	120.8°
C12	C15	C16	C17	90.0°	41.5°
C15	C12	C14	H11	90.0°	162.0°
C15	C12	C14	H12	90.0°	43.1°
C15	C12	H13	H14	90.0°	120.2°
C12	C15	H15	H16	90.0°	118.5°
C12	C15	C16	H17	90.0°	79.1°
C12	C15	C16	H18	90.0°	162.2°
C15	C16	C17	H17	90.0°	120.7°
C15	C16	C17	H18	90.0°	120.6°
C15	C16	C17	C18	90.0°	40.9°
C16	C15	C12	H13	90.0°	26.9°
C16	C15	C12	H14	90.0°	147.1°
C16	C15	H15	H16	90.0°	118.4°
C15	C16	H17	H18	90.0°	118.8°
C15	C16	C17	H19	90.0°	79.6°
C15	C16	C17	H20	90.0°	161.5°
C16	C17	C18	H19	90.0°	120.5°
C16	C17	C18	H20	90.0°	120.6°
C16	C17	C18	N1	90.0°	95.0°
C17	C16	C15	H15	90.0°	162.3°
C17	C16	C15	H16	90.0°	79.3°
C17	C16	H17	H18	90.0°	118.7°
C16	C17	H19	H20	90.0°	118.9°
C16	C17	C18	H21	90.0°	24.6°
C16	C17	C18	H22	90.0°	145.4°
C17	C18	N1	H21	90.0°	119.7°
C17	C18	N1	H22	90.0°	119.6°
C18	C17	C16	H17	90.0°	161.6°
C18	C17	C16	H18	90.0°	79.7°
C18	C17	H19	H20	90.0°	119.0°
C17	C18	H21	H22	90.0°	120.7°
C18	N1	C14	H11	90.0°	177.2°
C18	N1	C14	H12	90.0°	58.4°
N1	C18	C17	H19	90.0°	25.5°
N1	C18	C17	H20	90.0°	144.4°
N1	C18	H21	H22	90.0°	120.7°
H7	C11	H8	H10	90.0°	120.0°
H11	C14	C12	H13	90.0°	78.1°
H11	C14	C12	H14	90.0°	42.1°
H12	C14	C12	H13	90.0°	163.0°
H12	C14	C12	H14	90.0°	76.7°
H13	C12	C15	H15	90.0°	93.9°
H13	C12	C15	H16	90.0°	147.7°
H14	C12	C15	H15	90.0°	26.3°
H14	C12	C15	H16	90.0°	92.1°
H15	C15	C16	H17	90.0°	41.7°
H15	C15	C16	H18	90.0°	77.0°
H16	C15	C16	H17	90.0°	160.1°
H16	C15	C16	H18	90.0°	41.4°
H17	C16	C17	H19	90.0°	41.1°
H17	C16	C17	H20	90.0°	77.8°
H18	C16	C17	H19	90.0°	159.8°
H18	C16	C17	H20	90.0°	40.9°
H19	C17	C18	H21	90.0°	145.1°
H19	C17	C18	H22	90.0°	94.1°
H20	C17	C18	H21	90.0°	96.0°
H20	C17	C18	H22	90.0°	24.8°

Release date:	2018-02-28
Definition date:	2017-02-12
Last modified:	2018-02-23
Release status:	REL
Processing site:	RCSB
Derived from:	5N4R