A7G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	0.00Å
N1	C2	doub	1.30Å	0.00Å	Aromatic
N1	C3	sing	1.36Å	0.00Å	Aromatic
C2	N2	sing	1.36Å	0.00Å	Aromatic
C3	C4	doub	1.40Å	0.00Å	Aromatic
C3	C8	sing	1.41Å	0.00Å	Aromatic
N2	C9	sing	1.47Å	0.00Å
N2	C8	sing	1.38Å	0.00Å	Aromatic
C4	C5	sing	1.36Å	0.00Å	Aromatic
C9	C10	sing	1.51Å	0.00Å
C8	C7	doub	1.39Å	0.00Å	Aromatic
C11	C10	doub	1.38Å	0.00Å	Aromatic
C11	C12	sing	1.38Å	0.00Å	Aromatic
C5	C6	doub	1.40Å	0.00Å	Aromatic
C10	C15	sing	1.39Å	0.00Å	Aromatic
C7	C6	sing	1.39Å	0.00Å	Aromatic
C6	C17	sing	1.48Å	0.00Å
C12	C13	doub	1.38Å	0.00Å	Aromatic
C15	O	sing	1.36Å	0.00Å
C15	C14	doub	1.39Å	0.00Å	Aromatic
F1	C16	sing	1.40Å	0.00Å
O	C16	sing	1.43Å	0.00Å
C16	F2	sing	1.40Å	0.00Å
C13	C14	sing	1.38Å	0.00Å	Aromatic
C17	C18	doub	1.40Å	0.00Å	Aromatic
C17	C21	sing	1.39Å	0.00Å	Aromatic
C18	C19	sing	1.38Å	0.00Å	Aromatic
C21	N3	doub	1.32Å	0.00Å	Aromatic
C19	C20	doub	1.39Å	0.00Å	Aromatic
N3	C20	sing	1.32Å	0.00Å	Aromatic
C20	N4	sing	1.39Å	0.00Å
N4	C25	sing	1.47Å	0.00Å
N4	C22	sing	1.47Å	0.00Å
C25	C24	sing	1.53Å	0.00Å
C22	C23	sing	1.53Å	0.00Å
C24	N5	sing	1.47Å	0.00Å
C23	N5	sing	1.47Å	0.00Å
C16	H1	sing	1.09Å	0.00Å
C14	H2	sing	1.08Å	0.00Å
C13	H3	sing	1.08Å	0.00Å
C12	H4	sing	1.08Å	0.00Å
C11	H5	sing	1.08Å	0.00Å
C9	H6	sing	1.09Å	0.00Å
C9	H7	sing	1.09Å	0.00Å
C1	H8	sing	1.09Å	0.00Å
C1	H9	sing	1.09Å	0.00Å
C1	H10	sing	1.09Å	0.00Å
C7	H11	sing	1.08Å	0.00Å
C5	H12	sing	1.08Å	0.00Å
C4	H13	sing	1.08Å	0.00Å
C21	H14	sing	1.08Å	0.00Å
C19	H15	sing	1.08Å	0.00Å
C18	H16	sing	1.08Å	0.00Å
C25	H17	sing	1.09Å	0.00Å
C25	H18	sing	1.09Å	0.00Å
C24	H19	sing	1.09Å	0.00Å
C24	H20	sing	1.09Å	0.00Å
N5	H21	sing	1.01Å	0.00Å
C23	H23	sing	1.09Å	0.00Å
C23	H24	sing	1.09Å	0.00Å
C22	H25	sing	1.09Å	0.00Å
C22	H26	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N1	90.0°	125.0°
C1	C2	N2	90.0°	124.9°
C2	C1	H8	90.0°	109.5°
C2	C1	H9	90.0°	109.5°
C2	C1	H10	90.0°	109.5°
C2	N1	C3	90.0°	109.7°
N1	C2	N2	90.0°	110.1°
N1	C3	C4	90.0°	133.5°
N1	C3	C8	90.0°	106.9°
C2	N2	C9	90.0°	126.4°
C2	N2	C8	90.0°	107.3°
C4	C3	C8	90.0°	119.6°
C3	C4	C5	90.0°	120.1°
C3	C4	H13	90.0°	120.0°
C3	C8	N2	90.0°	106.0°
C3	C8	C7	90.0°	120.0°
C9	N2	C8	90.0°	126.3°
N2	C9	C10	90.0°	109.5°
N2	C9	H6	90.0°	109.5°
N2	C9	H7	90.0°	109.4°
N2	C8	C7	90.0°	134.1°
C4	C5	C6	90.0°	120.5°
C4	C5	H12	90.0°	119.8°
C5	C4	H13	90.0°	119.9°
C9	C10	C11	90.0°	120.0°
C9	C10	C15	90.0°	120.1°
C10	C9	H6	90.0°	109.5°
C10	C9	H7	90.0°	109.5°
C8	C7	C6	90.0°	119.6°
C8	C7	H11	90.0°	120.2°
C10	C11	C12	90.0°	120.0°
C11	C10	C15	90.0°	120.0°
C10	C11	H5	90.0°	120.0°
C11	C12	C13	90.0°	120.2°
C11	C12	H4	90.0°	119.9°
C12	C11	H5	90.0°	120.0°
C5	C6	C7	90.0°	120.1°
C5	C6	C17	90.0°	119.9°
C6	C5	H12	90.0°	119.7°
C10	C15	O	90.0°	120.1°
C10	C15	C14	90.0°	119.9°
C7	C6	C17	90.0°	119.9°
C6	C7	H11	90.0°	120.2°
C6	C17	C18	90.0°	120.5°
C6	C17	C21	90.0°	120.5°
C12	C13	C14	90.0°	120.0°
C12	C13	H3	90.0°	120.1°
C13	C12	H4	90.0°	120.0°
O	C15	C14	90.0°	120.0°
C15	O	C16	90.0°	117.0°
C15	C14	C13	90.0°	120.0°
C15	C14	H2	90.0°	120.1°
F1	C16	O	90.0°	109.5°
F1	C16	F2	90.0°	109.5°
F1	C16	H1	90.0°	109.4°
O	C16	F2	90.0°	109.5°
O	C16	H1	90.0°	109.5°
F2	C16	H1	90.0°	109.4°
C13	C14	H2	90.0°	120.0°
C14	C13	H3	90.0°	119.9°
C18	C17	C21	90.0°	119.1°
C17	C18	C19	90.0°	118.4°
C17	C18	H16	90.0°	120.8°
C17	C21	N3	90.0°	120.7°
C17	C21	H14	90.0°	119.7°
C18	C19	C20	90.0°	119.2°
C18	C19	H15	90.0°	120.3°
C19	C18	H16	90.0°	120.8°
C21	N3	C20	90.0°	121.7°
N3	C21	H14	90.0°	119.6°
C19	C20	N3	90.0°	120.9°
C19	C20	N4	90.0°	119.6°
C20	C19	H15	90.0°	120.4°
N3	C20	N4	90.0°	119.6°
C20	N4	C25	90.0°	111.0°
C20	N4	C22	90.0°	111.0°
C25	N4	C22	90.0°	110.9°
N4	C25	C24	90.0°	109.3°
N4	C25	H17	90.0°	109.5°
N4	C25	H18	90.0°	109.5°
N4	C22	C23	90.0°	109.4°
N4	C22	H25	90.0°	109.5°
N4	C22	H26	90.0°	109.5°
C25	C24	N5	90.0°	109.4°
C24	C25	H17	90.0°	109.5°
C24	C25	H18	90.0°	109.5°
C25	C24	H19	90.0°	109.5°
C25	C24	H20	90.0°	109.5°
C22	C23	N5	90.0°	109.4°
C22	C23	H23	90.0°	109.4°
C22	C23	H24	90.0°	109.6°
C23	C22	H25	90.0°	109.4°
C23	C22	H26	90.0°	109.5°
C24	N5	C23	90.0°	110.9°
N5	C24	H19	90.0°	109.5°
N5	C24	H20	90.0°	109.4°
C24	N5	H21	90.0°	111.0°
C23	N5	H21	90.0°	111.1°
N5	C23	H23	90.0°	109.5°
N5	C23	H24	90.0°	109.5°
H6	C9	H7	90.0°	109.4°
H8	C1	H9	90.0°	109.5°
H8	C1	H10	90.0°	109.5°
H9	C1	H10	90.0°	109.4°
H17	C25	H18	90.0°	109.5°
H19	C24	H20	90.0°	109.5°
H23	C23	H24	90.0°	109.5°
H25	C22	H26	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N1	N2	90.0°	179.9°
C1	C2	N1	C3	90.0°	179.8°
C1	C2	N2	C9	90.0°	0.1°
C1	C2	N2	C8	90.0°	179.7°
C2	C1	H8	H9	90.0°	120.0°
C2	C1	H8	H10	90.0°	120.0°
C2	C1	H9	H10	90.0°	120.0°
C2	N1	C3	C4	90.0°	179.8°
C2	N1	C3	C8	90.0°	0.0°
N1	C2	N2	C9	90.0°	180.0°
N1	C2	N2	C8	90.0°	0.2°
N1	C2	C1	H8	90.0°	90.0°
N1	C2	C1	H9	90.0°	30.0°
N1	C2	C1	H10	90.0°	150.0°
C3	N1	C2	N2	90.0°	0.1°
N1	C3	C4	C8	90.0°	179.8°
N1	C3	C8	N2	90.0°	0.2°
N1	C3	C4	C5	90.0°	179.8°
N1	C3	C8	C7	90.0°	179.9°
N1	C3	C4	H13	90.0°	0.2°
C2	N2	C8	C3	90.0°	0.2°
C2	N2	C9	C8	90.0°	179.7°
C2	N2	C9	C10	90.0°	89.7°
C2	N2	C8	C7	90.0°	179.8°
C2	N2	C9	H6	90.0°	150.2°
C2	N2	C9	H7	90.0°	30.3°
N2	C2	C1	H8	90.0°	90.0°
N2	C2	C1	H9	90.0°	150.0°
N2	C2	C1	H10	90.0°	30.1°
C4	C3	C8	N2	90.0°	180.0°
C3	C4	C5	H13	90.0°	180.0°
C4	C3	C8	C7	90.0°	0.0°
C3	C4	C5	C6	90.0°	0.1°
C3	C4	C5	H12	90.0°	180.0°
C3	C8	N2	C9	90.0°	180.0°
C3	C8	N2	C7	90.0°	180.0°
C8	C3	C4	C5	90.0°	0.0°
C3	C8	C7	C6	90.0°	0.0°
C3	C8	C7	H11	90.0°	180.0°
C8	C3	C4	H13	90.0°	180.0°
N2	C9	C10	H6	90.0°	120.1°
N2	C9	C10	H7	90.0°	119.9°
C9	N2	C8	C7	90.0°	0.0°
N2	C9	C10	C11	90.0°	95.0°
N2	C9	C10	C15	90.0°	84.4°
N2	C9	H6	H7	90.0°	119.9°
C8	N2	C9	C10	90.0°	90.1°
N2	C8	C7	C6	90.0°	180.0°
C8	N2	C9	H6	90.0°	30.0°
C8	N2	C9	H7	90.0°	150.0°
N2	C8	C7	H11	90.0°	0.1°
C4	C5	C6	H12	90.0°	179.9°
C4	C5	C6	C7	90.0°	0.1°
C4	C5	C6	C17	90.0°	179.9°
C9	C10	C11	C15	90.0°	179.4°
C9	C10	C11	C12	90.0°	180.0°
C9	C10	C15	O	90.0°	0.3°
C9	C10	C15	C14	90.0°	180.0°
C9	C10	C11	H5	90.0°	0.7°
C10	C9	H6	H7	90.0°	120.0°
C8	C7	C6	C5	90.0°	0.0°
C8	C7	C6	H11	90.0°	179.9°
C8	C7	C6	C17	90.0°	180.0°
C10	C11	C12	H5	90.0°	179.3°
C10	C11	C12	C13	90.0°	0.4°
C11	C10	C15	O	90.0°	179.7°
C11	C10	C15	C14	90.0°	0.6°
C10	C11	C12	H4	90.0°	179.7°
C11	C10	C9	H6	90.0°	25.1°
C11	C10	C9	H7	90.0°	145.1°
C12	C11	C10	C15	90.0°	0.6°
C11	C12	C13	H4	90.0°	180.0°
C11	C12	C13	C14	90.0°	0.0°
C11	C12	C13	H3	90.0°	179.9°
C5	C6	C7	C17	90.0°	180.0°
C5	C6	C17	C18	90.0°	0.0°
C5	C6	C17	C21	90.0°	179.8°
C5	C6	C7	H11	90.0°	179.9°
C6	C5	C4	H13	90.0°	179.9°
C10	C15	O	C14	90.0°	179.7°
C10	C15	O	C16	90.0°	179.7°
C10	C15	C14	C13	90.0°	0.3°
C10	C15	C14	H2	90.0°	179.7°
C15	C10	C11	H5	90.0°	180.0°
C15	C10	C9	H6	90.0°	155.5°
C15	C10	C9	H7	90.0°	35.6°
C7	C6	C17	C18	90.0°	180.0°
C7	C6	C17	C21	90.0°	0.2°
C7	C6	C5	H12	90.0°	180.0°
C6	C17	C18	C21	90.0°	179.8°
C6	C17	C18	C19	90.0°	179.7°
C6	C17	C21	N3	90.0°	180.0°
C17	C6	C7	H11	90.0°	0.1°
C17	C6	C5	H12	90.0°	0.0°
C6	C17	C21	H14	90.0°	0.0°
C6	C17	C18	H16	90.0°	0.0°
C12	C13	C14	C15	90.0°	0.0°
C12	C13	C14	H3	90.0°	180.0°
C12	C13	C14	H2	90.0°	180.0°
C13	C12	C11	H5	90.0°	179.7°
C15	O	C16	F1	90.0°	60.0°
C15	O	C16	F2	90.0°	60.0°
O	C15	C14	C13	90.0°	180.0°
C15	O	C16	H1	90.0°	180.0°
O	C15	C14	H2	90.0°	0.0°
C14	C15	O	C16	90.0°	0.0°
C15	C14	C13	H2	90.0°	180.0°
C15	C14	C13	H3	90.0°	180.0°
F1	C16	O	F2	90.0°	120.0°
F1	C16	O	H1	90.0°	120.0°
F1	C16	F2	H1	90.0°	120.0°
O	C16	F2	H1	90.0°	120.0°
C14	C13	C12	H4	90.0°	180.0°
C17	C18	C19	H16	90.0°	179.7°
C18	C17	C21	N3	90.0°	0.2°
C17	C18	C19	C20	90.0°	0.6°
C18	C17	C21	H14	90.0°	179.8°
C17	C18	C19	H15	90.0°	179.7°
C21	C17	C18	C19	90.0°	0.5°
C17	C21	N3	H14	90.0°	180.0°
C17	C21	N3	C20	90.0°	0.0°
C21	C17	C18	H16	90.0°	179.7°
C18	C19	C20	H15	90.0°	179.7°
C18	C19	C20	N3	90.0°	0.3°
C18	C19	C20	N4	90.0°	179.7°
C21	N3	C20	C19	90.0°	0.0°
C21	N3	C20	N4	90.0°	180.0°
C19	C20	N3	N4	90.0°	180.0°
C19	C20	N4	C25	90.0°	180.0°
C19	C20	N4	C22	90.0°	56.2°
C20	C19	C18	H16	90.0°	179.7°
N3	C20	N4	C25	90.0°	0.0°
N3	C20	N4	C22	90.0°	123.8°
C20	N3	C21	H14	90.0°	179.9°
N3	C20	C19	H15	90.0°	179.9°
C20	N4	C25	C22	90.0°	123.8°
C20	N4	C25	C24	90.0°	176.8°
C20	N4	C22	C23	90.0°	176.9°
N4	C20	C19	H15	90.0°	0.0°
C20	N4	C25	H17	90.0°	56.9°
C20	N4	C25	H18	90.0°	63.2°
C20	N4	C22	H25	90.0°	63.2°
C20	N4	C22	H26	90.0°	56.9°
N4	C25	C24	H17	90.0°	119.9°
N4	C25	C24	H18	90.0°	120.0°
C25	N4	C22	C23	90.0°	59.3°
N4	C25	C24	N5	90.0°	58.5°
N4	C25	H17	H18	90.0°	120.1°
N4	C25	C24	H19	90.0°	61.6°
N4	C25	C24	H20	90.0°	178.4°
C25	N4	C22	H25	90.0°	60.6°
C25	N4	C22	H26	90.0°	179.3°
C22	N4	C25	C24	90.0°	59.4°
N4	C22	C23	H25	90.0°	120.0°
N4	C22	C23	H26	90.0°	120.0°
N4	C22	C23	N5	90.0°	58.4°
C22	N4	C25	H17	90.0°	179.3°
C22	N4	C25	H18	90.0°	60.6°
N4	C22	C23	H23	90.0°	61.6°
N4	C22	C23	H24	90.0°	178.4°
N4	C22	H25	H26	90.0°	120.1°
C25	C24	N5	H19	90.0°	120.0°
C25	C24	N5	H20	90.0°	119.9°
C25	C24	N5	C23	90.0°	59.3°
C24	C25	H17	H18	90.0°	120.1°
C25	C24	H19	H20	90.0°	120.1°
C25	C24	N5	H21	90.0°	176.7°
C22	C23	N5	C24	90.0°	59.3°
C22	C23	N5	H23	90.0°	119.9°
C22	C23	N5	H24	90.0°	120.1°
C22	C23	N5	H21	90.0°	176.9°
C22	C23	H23	H24	90.0°	120.1°
C23	C22	H25	H26	90.0°	120.0°
C24	N5	C23	H21	90.0°	123.8°
N5	C24	C25	H17	90.0°	178.4°
N5	C24	C25	H18	90.0°	61.5°
N5	C24	H19	H20	90.0°	120.0°
C24	N5	C23	H23	90.0°	60.6°
C24	N5	C23	H24	90.0°	179.3°
C23	N5	C24	H19	90.0°	60.7°
C23	N5	C24	H20	90.0°	179.3°
N5	C23	H23	H24	90.0°	120.0°
N5	C23	C22	H25	90.0°	61.6°
N5	C23	C22	H26	90.0°	178.4°
H2	C14	C13	H3	90.0°	0.0°
H3	C13	C12	H4	90.0°	0.0°
H4	C12	C11	H5	90.0°	0.3°
H8	C1	H9	H10	90.0°	120.0°
H12	C5	C4	H13	90.0°	0.0°
H15	C19	C18	H16	90.0°	0.0°
H17	C25	C24	H19	90.0°	58.3°
H17	C25	C24	H20	90.0°	61.7°
H18	C25	C24	H19	90.0°	178.5°
H18	C25	C24	H20	90.0°	58.4°
H19	C24	N5	H21	90.0°	63.2°
H20	C24	N5	H21	90.0°	56.8°
H21	N5	C23	H23	90.0°	63.2°
H21	N5	C23	H24	90.0°	56.8°
H23	C23	C22	H25	90.0°	178.5°
H23	C23	C22	H26	90.0°	58.4°
H24	C23	C22	H25	90.0°	58.4°
H24	C23	C22	H26	90.0°	61.6°

Release date:	2018-01-24
Definition date:	2017-07-08
Last modified:	2018-01-19
Release status:	REL
Processing site:	RCSB