6A7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	C14	doub	1.22Å	1.22Å
C21	N20	doub	1.31Å	1.34Å	Aromatic
C21	C16	sing	1.40Å	1.40Å	Aromatic
N20	C19	sing	1.33Å	1.37Å	Aromatic
C12	N13	sing	1.47Å	1.48Å
C12	C11	sing	1.55Å	1.55Å
C14	N13	sing	1.35Å	1.37Å
C14	C16	sing	1.48Å	1.49Å
N13	C8	sing	1.47Å	1.48Å
C16	C17	doub	1.39Å	1.42Å	Aromatic
C11	C10	sing	1.55Å	1.55Å
C10	C8	sing	1.54Å	1.54Å
C19	N22	sing	1.37Å	1.32Å	Aromatic
C19	C18	doub	1.41Å	1.47Å	Aromatic
C8	C5	sing	1.51Å	1.52Å
N22	N23	sing	1.40Å	1.28Å	Aromatic
C17	C18	sing	1.40Å	1.39Å	Aromatic
C18	C24	sing	1.46Å	1.41Å	Aromatic
C5	C4	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
N23	C24	doub	1.30Å	1.31Å	Aromatic
C24	C25	sing	1.51Å	1.51Å
C4	C3	sing	1.38Å	1.39Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C7	C2	sing	1.38Å	1.39Å	Aromatic
C2	CL1	sing	1.74Å	1.74Å
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.08Å	1.08Å
C21	H11	sing	1.08Å	1.08Å
N22	H12	sing	0.97Å	1.00Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C25	H15	sing	1.09Å	1.10Å
C25	H16	sing	1.09Å	1.10Å
C25	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O15	C14	N13	118.6°	120.0°
O15	C14	C16	116.6°	120.0°
N20	C21	C16	122.1°	121.3°
C21	N20	C19	121.8°	121.8°
N20	C21	H11	119.0°	119.3°
C21	C16	C14	117.8°	120.4°
C21	C16	C17	119.0°	119.2°
C16	C21	H11	119.0°	119.3°
N20	C19	N22	136.1°	133.2°
N20	C19	C18	118.5°	120.3°
N13	C12	C11	107.6°	104.8°
C12	N13	C14	123.7°	125.7°
C12	N13	C8	106.7°	108.7°
N13	C12	H8	109.9°	110.4°
N13	C12	H9	110.0°	110.3°
C12	C11	C10	102.3°	101.6°
C12	C11	H6	111.2°	110.9°
C12	C11	H7	111.2°	111.1°
C11	C12	H8	109.9°	110.4°
C11	C12	H9	109.9°	110.4°
N13	C14	C16	124.8°	120.0°
C14	N13	C8	129.6°	125.6°
C14	C16	C17	123.2°	120.4°
N13	C8	C10	106.5°	107.4°
N13	C8	C5	114.2°	109.9°
N13	C8	H5	108.7°	109.9°
C16	C17	C18	119.9°	118.0°
C16	C17	H10	120.1°	121.0°
C11	C10	C8	100.9°	102.9°
C10	C11	H6	111.2°	111.0°
C10	C11	H7	111.2°	111.0°
C11	C10	H13	111.5°	110.7°
C11	C10	H14	111.6°	110.7°
C10	C8	C5	111.1°	109.9°
C10	C8	H5	108.0°	109.9°
C8	C10	H13	111.6°	110.6°
C8	C10	H14	111.6°	110.9°
N22	C19	C18	105.4°	106.5°
C19	N22	N23	111.3°	109.3°
C19	N22	H12	124.4°	125.3°
C19	C18	C17	118.7°	119.4°
C19	C18	C24	104.0°	106.4°
C8	C5	C4	123.5°	120.0°
C8	C5	C6	117.5°	120.0°
C5	C8	H5	108.3°	109.8°
N22	N23	C24	112.8°	110.1°
N23	N22	H12	124.4°	125.3°
C17	C18	C24	137.2°	134.1°
C18	C17	H10	120.1°	121.0°
C18	C24	N23	106.5°	107.6°
C18	C24	C25	126.8°	126.2°
C4	C5	C6	118.9°	120.0°
C5	C4	C3	120.0°	120.0°
C5	C4	H2	120.0°	120.0°
C5	C6	C7	121.0°	120.0°
C5	C6	H3	119.5°	120.0°
N23	C24	C25	126.6°	126.2°
C24	C25	H15	109.5°	109.5°
C24	C25	H16	109.4°	109.4°
C24	C25	H17	109.5°	109.4°
C4	C3	C2	120.4°	120.0°
C4	C3	H1	119.8°	120.0°
C3	C4	H2	120.0°	120.0°
C6	C7	C2	120.1°	120.0°
C7	C6	H3	119.5°	120.0°
C6	C7	H4	120.0°	120.0°
C3	C2	C7	119.5°	120.0°
C3	C2	CL1	121.0°	120.0°
C2	C3	H1	119.8°	120.0°
C7	C2	CL1	119.6°	120.0°
C2	C7	H4	120.0°	120.0°
H6	C11	H7	109.5°	110.8°
H8	C12	H9	109.5°	110.4°
H13	C10	H14	109.5°	110.8°
H15	C25	H16	109.5°	109.5°
H15	C25	H17	109.4°	109.5°
H16	C25	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O15	C14	C16	C21	48.5°	155.2°
O15	C14	N13	C12	0.4°	174.2°
O15	C14	N13	C16	178.8°	180.0°
O15	C14	N13	C8	178.8°	5.7°
O15	C14	C16	C17	130.1°	24.4°
N20	C21	C16	H11	180.0°	179.9°
N20	C21	C16	C14	179.9°	179.7°
N20	C21	C16	C17	1.3°	0.1°
C21	N20	C19	N22	179.6°	180.0°
C21	N20	C19	C18	0.4°	0.0°
C16	C21	N20	C19	0.4°	0.1°
C21	C16	C14	N13	130.3°	24.8°
C21	C16	C14	C17	178.5°	179.6°
C21	C16	C17	C18	1.4°	0.0°
C21	C16	C17	H10	178.6°	180.0°
N20	C19	N22	C18	180.0°	179.9°
N20	C19	N22	N23	179.7°	180.0°
N20	C19	C18	C17	0.2°	0.0°
N20	C19	C18	C24	180.0°	180.0°
C19	N20	C21	H11	179.6°	180.0°
N20	C19	N22	H12	0.3°	0.0°
N13	C12	C11	H8	119.7°	118.8°
N13	C12	C11	H9	119.7°	118.8°
C12	N13	C14	C8	179.2°	179.9°
C12	N13	C14	C16	179.2°	5.8°
N13	C12	C11	C10	25.6°	36.9°
C12	N13	C8	C10	22.7°	1.1°
C12	N13	C8	C5	100.3°	118.3°
C12	N13	C8	H5	138.8°	120.7°
N13	C12	C11	H6	144.4°	81.1°
N13	C12	C11	H7	93.3°	155.1°
N13	C12	H8	H9	120.9°	122.3°
C11	C12	N13	C14	178.5°	155.8°
C11	C12	N13	C8	2.2°	24.1°
C12	C11	C10	H6	118.8°	118.0°
C12	C11	C10	H7	118.8°	118.2°
C12	C11	C10	C8	37.6°	35.4°
C12	C11	H6	H7	123.4°	123.9°
C11	C12	H8	H9	120.8°	122.4°
C12	C11	C10	H13	81.0°	82.9°
C12	C11	C10	H14	156.2°	153.9°
N13	C14	C16	C17	51.2°	155.6°
C14	N13	C8	C10	156.6°	178.8°
C14	N13	C8	C5	80.4°	61.7°
C14	N13	C8	H5	40.5°	59.3°
C14	N13	C12	H8	61.8°	85.3°
C14	N13	C12	H9	58.8°	37.0°
C16	C14	N13	C8	0.0°	174.3°
C14	C16	C17	C18	180.0°	179.7°
C14	C16	C17	H10	0.1°	0.4°
C14	C16	C21	H11	0.1°	0.3°
N13	C8	C10	C11	38.0°	22.1°
N13	C8	C10	C5	124.9°	119.5°
N13	C8	C10	H5	116.6°	119.6°
N13	C8	C5	H5	121.2°	121.1°
N13	C8	C5	C4	24.4°	141.7°
N13	C8	C5	C6	153.2°	38.3°
C8	N13	C12	H8	117.5°	94.7°
C8	N13	C12	H9	121.9°	143.0°
N13	C8	C10	H13	80.6°	96.1°
N13	C8	C10	H14	156.6°	140.5°
C16	C17	C18	C19	0.7°	0.0°
C16	C17	C18	H10	180.0°	179.9°
C16	C17	C18	C24	179.0°	179.9°
C17	C16	C21	H11	178.7°	180.0°
C11	C10	C8	H13	118.6°	118.3°
C11	C10	C8	H14	118.6°	118.4°
C11	C10	C8	C5	86.9°	141.6°
C11	C10	C8	H5	154.6°	97.4°
C10	C11	H6	H7	123.3°	123.9°
C10	C11	C12	H8	94.2°	81.9°
C10	C11	C12	H9	145.3°	155.7°
C11	C10	H13	H14	124.0°	123.2°
C10	C8	C5	H5	118.4°	121.0°
C10	C8	C5	C4	96.1°	100.3°
C10	C8	C5	C6	86.4°	79.7°
C8	C10	C11	H6	156.5°	82.6°
C8	C10	C11	H7	81.2°	153.6°
C8	C10	H13	H14	124.0°	123.4°
C19	N22	N23	H12	180.0°	180.0°
N22	C19	C18	C17	179.8°	180.0°
N22	C19	C18	C24	0.0°	0.1°
C19	N22	N23	C24	0.5°	0.0°
C18	C19	N22	N23	0.3°	0.0°
C19	C18	C17	C24	179.6°	179.9°
C19	C18	C24	N23	0.3°	0.1°
C19	C18	C24	C25	179.6°	180.0°
C19	C18	C17	H10	179.3°	179.9°
C18	C19	N22	H12	179.7°	180.0°
C8	C5	C4	C6	177.5°	180.0°
C8	C5	C4	C3	178.2°	180.0°
C8	C5	C6	C7	178.6°	179.7°
C8	C5	C4	H2	1.8°	0.1°
C8	C5	C6	H3	1.4°	0.1°
C5	C8	C10	H13	154.5°	23.4°
C5	C8	C10	H14	31.8°	100.0°
N22	N23	C24	C18	0.5°	0.1°
N22	N23	C24	C25	179.8°	180.0°
C17	C18	C24	N23	179.4°	180.0°
C17	C18	C24	C25	0.1°	0.1°
C18	C24	N23	C25	179.3°	179.9°
C24	C18	C17	H10	1.0°	0.0°
C18	C24	C25	H15	179.2°	89.9°
C18	C24	C25	H16	59.1°	150.1°
C18	C24	C25	H17	60.9°	30.0°
C5	C4	C3	H2	180.0°	179.9°
C4	C5	C6	C7	1.0°	0.3°
C5	C4	C3	C2	0.3°	0.0°
C5	C4	C3	H1	179.7°	180.0°
C4	C5	C6	H3	179.0°	180.0°
C4	C5	C8	H5	145.6°	20.6°
C6	C5	C4	C3	0.7°	0.0°
C5	C6	C7	H3	180.0°	179.8°
C5	C6	C7	C2	0.8°	0.5°
C6	C5	C4	H2	179.3°	179.9°
C5	C6	C7	H4	179.2°	180.0°
C6	C5	C8	H5	32.0°	159.3°
C24	N23	N22	H12	179.5°	180.0°
N23	C24	C25	H15	0.0°	90.0°
N23	C24	C25	H16	120.0°	30.0°
N23	C24	C25	H17	120.0°	150.1°
C24	C25	H15	H16	120.0°	120.0°
C24	C25	H15	H17	120.0°	119.9°
C24	C25	H16	H17	120.0°	120.0°
C4	C3	C2	H1	180.0°	180.0°
C4	C3	C2	C7	0.1°	0.2°
C4	C3	C2	CL1	179.8°	180.0°
C6	C7	C2	C3	0.4°	0.5°
C6	C7	C2	H4	180.0°	179.5°
C6	C7	C2	CL1	179.6°	179.7°
C3	C2	C7	CL1	180.0°	179.8°
C2	C3	C4	H2	179.7°	180.0°
C3	C2	C7	H4	179.6°	180.0°
C7	C2	C3	H1	179.9°	179.8°
C2	C7	C6	H3	179.2°	179.7°
CL1	C2	C3	H1	0.2°	0.0°
CL1	C2	C7	H4	0.4°	0.2°
H1	C3	C4	H2	0.3°	0.0°
H3	C6	C7	H4	0.8°	0.2°
H5	C8	C10	H13	36.0°	144.3°
H5	C8	C10	H14	86.8°	20.9°
H6	C11	C12	H8	24.7°	160.1°
H6	C11	C12	H9	95.9°	37.7°
H6	C11	C10	H13	37.9°	159.2°
H6	C11	C10	H14	84.9°	35.9°
H7	C11	C12	H8	147.0°	36.3°
H7	C11	C12	H9	26.5°	86.1°
H7	C11	C10	H13	160.2°	35.4°
H7	C11	C10	H14	37.4°	87.9°
H15	C25	H16	H17	120.0°	120.1°

Release date:	2016-12-21
Definition date:	2016-02-25
Last modified:	2016-12-16
Release status:	REL
Processing site:	EBI
Derived from:	5IDN