A1A1O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	N2	sing	1.47Å	0.00Å
C7	C6	sing	1.53Å	0.00Å
N2	C8	sing	1.47Å	0.00Å
C8	C9	sing	1.53Å	0.00Å
C6	C5	sing	1.53Å	0.00Å
C5	C9	sing	1.53Å	0.00Å
C5	C4	sing	1.51Å	0.00Å
C23	C24	doub	1.38Å	0.00Å	Aromatic
C23	C22	sing	1.39Å	0.00Å	Aromatic
C24	C19	sing	1.39Å	0.00Å	Aromatic
C22	C21	doub	1.38Å	0.00Å	Aromatic
C4	C3	doub	1.38Å	0.00Å	Aromatic
C4	C10	sing	1.38Å	0.00Å	Aromatic
C3	C2	sing	1.39Å	0.00Å	Aromatic
C10	C11	doub	1.38Å	0.00Å	Aromatic
C19	N1	sing	1.39Å	0.00Å
C19	C20	doub	1.40Å	0.00Å	Aromatic
C21	C20	sing	1.39Å	0.00Å	Aromatic
C21	CL	sing	1.74Å	0.00Å
C2	N1	sing	1.40Å	0.00Å
C2	C12	doub	1.39Å	0.00Å	Aromatic
N1	C1	sing	1.35Å	0.00Å
C20	C	sing	1.47Å	0.00Å
C11	C12	sing	1.38Å	0.00Å	Aromatic
C12	C13	sing	1.51Å	0.00Å
C1	C13	sing	1.51Å	0.00Å
C1	N	doub	1.31Å	0.00Å
C	N	sing	1.34Å	0.00Å
C	O	doub	1.22Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C13	C18	sing	1.52Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C18	C17	sing	1.53Å	0.00Å
C15	C16	sing	1.53Å	0.00Å
C17	C16	sing	1.53Å	0.00Å
C3	H1	sing	1.08Å	0.00Å
C5	H2	sing	1.09Å	0.00Å
C6	H3	sing	1.09Å	0.00Å
C6	H4	sing	1.09Å	0.00Å
C7	H5	sing	1.09Å	0.00Å
C7	H6	sing	1.09Å	0.00Å
N2	H7	sing	1.01Å	0.00Å
C8	H9	sing	1.09Å	0.00Å
C8	H10	sing	1.09Å	0.00Å
C9	H11	sing	1.09Å	0.00Å
C9	H12	sing	1.09Å	0.00Å
C11	H13	sing	1.08Å	0.00Å
C10	H14	sing	1.08Å	0.00Å
C17	H15	sing	1.09Å	0.00Å
C17	H16	sing	1.09Å	0.00Å
C18	H17	sing	1.09Å	0.00Å
C18	H18	sing	1.09Å	0.00Å
C16	H19	sing	1.09Å	0.00Å
C16	H20	sing	1.09Å	0.00Å
C15	H21	sing	1.09Å	0.00Å
C15	H22	sing	1.09Å	0.00Å
C14	H23	sing	1.09Å	0.00Å
C14	H24	sing	1.09Å	0.00Å
C22	H25	sing	1.08Å	0.00Å
C23	H26	sing	1.08Å	0.00Å
C24	H27	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C7	C6	90.0°	109.5°
C7	N2	C8	90.0°	111.2°
N2	C7	H5	90.0°	109.5°
N2	C7	H6	90.0°	109.5°
C7	N2	H7	90.0°	111.0°
C7	C6	C5	90.0°	109.3°
C7	C6	H3	90.0°	109.5°
C7	C6	H4	90.0°	109.6°
C6	C7	H5	90.0°	109.4°
C6	C7	H6	90.0°	109.5°
N2	C8	C9	90.0°	109.5°
C8	N2	H7	90.0°	111.0°
N2	C8	H9	90.0°	109.5°
N2	C8	H10	90.0°	109.5°
C8	C9	C5	90.0°	109.3°
C9	C8	H9	90.0°	109.5°
C9	C8	H10	90.0°	109.4°
C8	C9	H11	90.0°	109.5°
C8	C9	H12	90.0°	109.5°
C6	C5	C9	90.0°	109.2°
C6	C5	C4	90.0°	109.6°
C6	C5	H2	90.0°	109.6°
C5	C6	H3	90.0°	109.5°
C5	C6	H4	90.0°	109.5°
C9	C5	C4	90.0°	109.5°
C9	C5	H2	90.0°	109.5°
C5	C9	H11	90.0°	109.5°
C5	C9	H12	90.0°	109.5°
C5	C4	C3	90.0°	119.8°
C5	C4	C10	90.0°	119.8°
C4	C5	H2	90.0°	109.5°
C24	C23	C22	90.0°	120.7°
C23	C24	C19	90.0°	119.7°
C24	C23	H26	90.0°	119.7°
C23	C24	H27	90.0°	120.1°
C23	C22	C21	90.0°	120.5°
C23	C22	H25	90.0°	119.7°
C22	C23	H26	90.0°	119.6°
C24	C19	N1	90.0°	121.3°
C24	C19	C20	90.0°	119.7°
C19	C24	H27	90.0°	120.2°
C22	C21	C20	90.0°	119.3°
C22	C21	CL	90.0°	120.3°
C21	C22	H25	90.0°	119.8°
C3	C4	C10	90.0°	120.4°
C4	C3	C2	90.0°	120.0°
C4	C3	H1	90.0°	120.0°
C4	C10	C11	90.0°	119.8°
C4	C10	H14	90.0°	120.1°
C3	C2	N1	90.0°	130.2°
C3	C2	C12	90.0°	119.1°
C2	C3	H1	90.0°	120.0°
C10	C11	C12	90.0°	119.9°
C10	C11	H13	90.0°	120.0°
C11	C10	H14	90.0°	120.1°
N1	C19	C20	90.0°	118.9°
C19	N1	C2	90.0°	128.5°
C19	N1	C1	90.0°	119.8°
C19	C20	C21	90.0°	120.1°
C19	C20	C	90.0°	117.9°
C20	C21	CL	90.0°	120.4°
C21	C20	C	90.0°	122.0°
N1	C2	C12	90.0°	110.6°
C2	N1	C1	90.0°	111.6°
C2	C12	C11	90.0°	120.7°
C2	C12	C13	90.0°	106.1°
N1	C1	C13	90.0°	107.0°
N1	C1	N	90.0°	123.2°
C20	C	N	90.0°	117.9°
C20	C	O	90.0°	121.1°
C11	C12	C13	90.0°	133.2°
C12	C11	H13	90.0°	120.1°
C12	C13	C1	90.0°	104.6°
C12	C13	C14	90.0°	110.6°
C12	C13	C18	90.0°	110.6°
C13	C1	N	90.0°	129.8°
C1	C13	C14	90.0°	110.1°
C1	C13	C18	90.0°	110.2°
C1	N	C	90.0°	122.4°
N	C	O	90.0°	121.0°
C14	C13	C18	90.0°	110.6°
C13	C14	C15	90.0°	109.5°
C13	C14	H23	90.0°	109.5°
C13	C14	H24	90.0°	109.4°
C13	C18	C17	90.0°	109.5°
C13	C18	H17	90.0°	109.5°
C13	C18	H18	90.0°	109.5°
C14	C15	C16	90.0°	109.4°
C14	C15	H21	90.0°	109.5°
C14	C15	H22	90.0°	109.5°
C15	C14	H23	90.0°	109.5°
C15	C14	H24	90.0°	109.5°
C18	C17	C16	90.0°	109.4°
C18	C17	H15	90.0°	109.5°
C18	C17	H16	90.0°	109.5°
C17	C18	H17	90.0°	109.5°
C17	C18	H18	90.0°	109.4°
C15	C16	C17	90.0°	109.6°
C15	C16	H19	90.0°	109.5°
C15	C16	H20	90.0°	109.5°
C16	C15	H21	90.0°	109.5°
C16	C15	H22	90.0°	109.5°
C16	C17	H15	90.0°	109.5°
C16	C17	H16	90.0°	109.5°
C17	C16	H19	90.0°	109.5°
C17	C16	H20	90.0°	109.4°
H3	C6	H4	90.0°	109.5°
H5	C7	H6	90.0°	109.4°
H9	C8	H10	90.0°	109.4°
H11	C9	H12	90.0°	109.5°
H15	C17	H16	90.0°	109.5°
H17	C18	H18	90.0°	109.4°
H19	C16	H20	90.0°	109.4°
H21	C15	H22	90.0°	109.5°
H23	C14	H24	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C7	C6	H5	90.0°	120.1°
N2	C7	C6	H6	90.0°	120.0°
C7	N2	C8	H7	90.0°	124.1°
C7	N2	C8	C9	90.0°	61.7°
N2	C7	C6	C5	90.0°	59.2°
N2	C7	C6	H3	90.0°	60.8°
N2	C7	C6	H4	90.0°	179.1°
N2	C7	H5	H6	90.0°	120.0°
C7	N2	C8	H9	90.0°	178.2°
C7	N2	C8	H10	90.0°	58.3°
C6	C7	N2	C8	90.0°	61.8°
C7	C6	C5	H3	90.0°	119.9°
C7	C6	C5	H4	90.0°	120.0°
C7	C6	C5	C9	90.0°	57.6°
C7	C6	C5	C4	90.0°	177.6°
C7	C6	C5	H2	90.0°	62.2°
C7	C6	H3	H4	90.0°	120.2°
C6	C7	H5	H6	90.0°	120.0°
C6	C7	N2	H7	90.0°	62.4°
N2	C8	C9	H9	90.0°	120.0°
N2	C8	C9	H10	90.0°	120.1°
N2	C8	C9	C5	90.0°	59.2°
C8	N2	C7	H5	90.0°	178.2°
C8	N2	C7	H6	90.0°	58.3°
N2	C8	H9	H10	90.0°	120.0°
N2	C8	C9	H11	90.0°	179.2°
N2	C8	C9	H12	90.0°	60.8°
C8	C9	C5	C6	90.0°	57.6°
C8	C9	C5	H11	90.0°	120.0°
C8	C9	C5	H12	90.0°	119.9°
C8	C9	C5	C4	90.0°	177.6°
C8	C9	C5	H2	90.0°	62.3°
C9	C8	N2	H7	90.0°	62.4°
C9	C8	H9	H10	90.0°	119.9°
C8	C9	H11	H12	90.0°	120.1°
C6	C5	C9	C4	90.0°	119.9°
C6	C5	C9	H2	90.0°	120.0°
C6	C5	C4	H2	90.0°	120.2°
C6	C5	C4	C3	90.0°	120.3°
C6	C5	C4	C10	90.0°	59.7°
C5	C6	H3	H4	90.0°	120.0°
C5	C6	C7	H5	90.0°	179.2°
C5	C6	C7	H6	90.0°	60.9°
C6	C5	C9	H11	90.0°	177.6°
C6	C5	C9	H12	90.0°	62.3°
C9	C5	C4	H2	90.0°	120.1°
C9	C5	C4	C3	90.0°	120.0°
C9	C5	C4	C10	90.0°	60.0°
C9	C5	C6	H3	90.0°	62.3°
C9	C5	C6	H4	90.0°	177.6°
C5	C9	C8	H9	90.0°	179.2°
C5	C9	C8	H10	90.0°	60.9°
C5	C9	H11	H12	90.0°	120.1°
C5	C4	C3	C10	90.0°	180.0°
C5	C4	C3	C2	90.0°	180.0°
C5	C4	C10	C11	90.0°	179.6°
C5	C4	C3	H1	90.0°	0.1°
C4	C5	C6	H3	90.0°	57.6°
C4	C5	C6	H4	90.0°	62.5°
C4	C5	C9	H11	90.0°	62.5°
C4	C5	C9	H12	90.0°	57.6°
C5	C4	C10	H14	90.0°	0.1°
C24	C23	C22	H26	90.0°	179.8°
C23	C24	C19	H27	90.0°	179.9°
C24	C23	C22	C21	90.0°	0.3°
C23	C24	C19	N1	90.0°	180.0°
C23	C24	C19	C20	90.0°	0.0°
C24	C23	C22	H25	90.0°	180.0°
C22	C23	C24	C19	90.0°	0.1°
C23	C22	C21	H25	90.0°	179.7°
C23	C22	C21	C20	90.0°	0.3°
C23	C22	C21	CL	90.0°	179.7°
C22	C23	C24	H27	90.0°	179.8°
C24	C19	N1	C20	90.0°	180.0°
C24	C19	C20	C21	90.0°	0.0°
C24	C19	N1	C2	90.0°	0.0°
C24	C19	N1	C1	90.0°	180.0°
C24	C19	C20	C	90.0°	179.8°
C19	C24	C23	H26	90.0°	180.0°
C22	C21	C20	C19	90.0°	0.1°
C22	C21	C20	CL	90.0°	180.0°
C22	C21	C20	C	90.0°	180.0°
C21	C22	C23	H26	90.0°	179.9°
C4	C3	C2	H1	90.0°	179.9°
C3	C4	C10	C11	90.0°	0.4°
C4	C3	C2	N1	90.0°	180.0°
C4	C3	C2	C12	90.0°	0.3°
C3	C4	C5	H2	90.0°	0.1°
C3	C4	C10	H14	90.0°	179.9°
C10	C4	C3	C2	90.0°	0.0°
C4	C10	C11	H14	90.0°	179.6°
C4	C10	C11	C12	90.0°	0.4°
C10	C4	C3	H1	90.0°	179.9°
C10	C4	C5	H2	90.0°	179.9°
C4	C10	C11	H13	90.0°	179.6°
C3	C2	N1	C19	90.0°	0.0°
C3	C2	N1	C12	90.0°	179.7°
C3	C2	N1	C1	90.0°	180.0°
C3	C2	C12	C11	90.0°	0.3°
C3	C2	C12	C13	90.0°	179.8°
C10	C11	C12	C2	90.0°	0.1°
C10	C11	C12	H13	90.0°	179.9°
C10	C11	C12	C13	90.0°	179.3°
N1	C19	C20	C21	90.0°	180.0°
C19	N1	C2	C1	90.0°	180.0°
C19	N1	C2	C12	90.0°	179.7°
N1	C19	C20	C	90.0°	0.2°
C19	N1	C1	C13	90.0°	180.0°
C19	N1	C1	N	90.0°	0.3°
N1	C19	C24	H27	90.0°	0.0°
C19	C20	C21	C	90.0°	179.8°
C19	C20	C21	CL	90.0°	179.9°
C20	C19	N1	C2	90.0°	180.0°
C20	C19	N1	C1	90.0°	0.0°
C19	C20	C	N	90.0°	0.2°
C19	C20	C	O	90.0°	179.9°
C20	C19	C24	H27	90.0°	179.9°
C21	C20	C	N	90.0°	180.0°
C21	C20	C	O	90.0°	0.0°
C20	C21	C22	H25	90.0°	180.0°
CL	C21	C20	C	90.0°	0.1°
CL	C21	C22	H25	90.0°	0.0°
N1	C2	C12	C11	90.0°	180.0°
N1	C2	C12	C13	90.0°	0.5°
C2	N1	C1	C13	90.0°	0.0°
C2	N1	C1	N	90.0°	179.7°
N1	C2	C3	H1	90.0°	0.1°
C12	C2	N1	C1	90.0°	0.3°
C2	C12	C11	C13	90.0°	179.4°
C2	C12	C13	C1	90.0°	0.4°
C2	C12	C13	C14	90.0°	119.0°
C2	C12	C13	C18	90.0°	118.2°
C12	C2	C3	H1	90.0°	179.7°
C2	C12	C11	H13	90.0°	180.0°
N1	C1	C13	C12	90.0°	0.3°
N1	C1	C13	N	90.0°	179.7°
N1	C1	N	C	90.0°	0.4°
N1	C1	C13	C14	90.0°	119.1°
N1	C1	C13	C18	90.0°	118.6°
C20	C	N	C1	90.0°	0.1°
C20	C	N	O	90.0°	180.0°
C11	C12	C13	C1	90.0°	179.9°
C11	C12	C13	C14	90.0°	61.6°
C11	C12	C13	C18	90.0°	61.2°
C12	C11	C10	H14	90.0°	180.0°
C12	C13	C1	C14	90.0°	118.8°
C12	C13	C1	C18	90.0°	118.9°
C12	C13	C1	N	90.0°	179.9°
C12	C13	C14	C18	90.0°	122.8°
C12	C13	C14	C15	90.0°	63.9°
C12	C13	C18	C17	90.0°	63.9°
C13	C12	C11	H13	90.0°	0.7°
C12	C13	C18	H17	90.0°	56.1°
C12	C13	C18	H18	90.0°	176.1°
C12	C13	C14	H23	90.0°	176.1°
C12	C13	C14	H24	90.0°	56.1°
C13	C1	N	C	90.0°	180.0°
C1	C13	C14	C18	90.0°	122.0°
C1	C13	C14	C15	90.0°	179.1°
C1	C13	C18	C17	90.0°	179.1°
C1	C13	C18	H17	90.0°	59.1°
C1	C13	C18	H18	90.0°	60.9°
C1	C13	C14	H23	90.0°	61.0°
C1	C13	C14	H24	90.0°	59.1°
C1	N	C	O	90.0°	179.9°
N	C1	C13	C14	90.0°	61.2°
N	C1	C13	C18	90.0°	61.0°
C13	C14	C15	H23	90.0°	120.0°
C13	C14	C15	H24	90.0°	119.9°
C14	C13	C18	C17	90.0°	58.9°
C13	C14	C15	C16	90.0°	59.3°
C14	C13	C18	H17	90.0°	179.0°
C14	C13	C18	H18	90.0°	61.1°
C13	C14	C15	H21	90.0°	60.7°
C13	C14	C15	H22	90.0°	179.3°
C13	C14	H23	H24	90.0°	120.0°
C18	C13	C14	C15	90.0°	58.9°
C13	C18	C17	H17	90.0°	120.0°
C13	C18	C17	H18	90.0°	120.1°
C13	C18	C17	C16	90.0°	59.2°
C13	C18	C17	H15	90.0°	60.7°
C13	C18	C17	H16	90.0°	179.3°
C13	C18	H17	H18	90.0°	120.0°
C18	C13	C14	H23	90.0°	61.1°
C18	C13	C14	H24	90.0°	178.9°
C14	C15	C16	H21	90.0°	120.0°
C14	C15	C16	H22	90.0°	120.0°
C14	C15	C16	C17	90.0°	60.3°
C14	C15	C16	H19	90.0°	179.6°
C14	C15	C16	H20	90.0°	59.6°
C14	C15	H21	H22	90.0°	120.0°
C15	C14	H23	H24	90.0°	120.0°
C18	C17	C16	C15	90.0°	60.3°
C18	C17	C16	H15	90.0°	120.0°
C18	C17	C16	H16	90.0°	120.0°
C18	C17	H15	H16	90.0°	120.0°
C17	C18	H17	H18	90.0°	119.9°
C18	C17	C16	H19	90.0°	179.6°
C18	C17	C16	H20	90.0°	59.7°
C15	C16	C17	H19	90.0°	120.1°
C15	C16	C17	H20	90.0°	120.0°
C15	C16	C17	H15	90.0°	59.6°
C15	C16	C17	H16	90.0°	179.7°
C15	C16	H19	H20	90.0°	120.0°
C16	C15	H21	H22	90.0°	120.1°
C16	C15	C14	H23	90.0°	60.7°
C16	C15	C14	H24	90.0°	179.2°
C16	C17	H15	H16	90.0°	120.0°
C16	C17	C18	H17	90.0°	179.3°
C16	C17	C18	H18	90.0°	60.8°
C17	C16	H19	H20	90.0°	119.9°
C17	C16	C15	H21	90.0°	59.6°
C17	C16	C15	H22	90.0°	179.7°
H2	C5	C6	H3	90.0°	177.8°
H2	C5	C6	H4	90.0°	57.7°
H2	C5	C9	H11	90.0°	57.6°
H2	C5	C9	H12	90.0°	177.7°
H3	C6	C7	H5	90.0°	59.3°
H3	C6	C7	H6	90.0°	179.2°
H4	C6	C7	H5	90.0°	60.9°
H4	C6	C7	H6	90.0°	59.1°
H5	C7	N2	H7	90.0°	57.6°
H6	C7	N2	H7	90.0°	177.6°
H7	N2	C8	H9	90.0°	57.7°
H7	N2	C8	H10	90.0°	177.6°
H9	C8	C9	H11	90.0°	60.8°
H9	C8	C9	H12	90.0°	59.3°
H10	C8	C9	H11	90.0°	59.1°
H10	C8	C9	H12	90.0°	179.2°
H13	C11	C10	H14	90.0°	0.1°
H15	C17	C18	H17	90.0°	59.3°
H15	C17	C18	H18	90.0°	179.2°
H15	C17	C16	H19	90.0°	60.5°
H15	C17	C16	H20	90.0°	179.7°
H16	C17	C18	H17	90.0°	60.7°
H16	C17	C18	H18	90.0°	59.2°
H16	C17	C16	H19	90.0°	59.5°
H16	C17	C16	H20	90.0°	60.3°
H19	C16	C15	H21	90.0°	60.5°
H19	C16	C15	H22	90.0°	59.6°
H20	C16	C15	H21	90.0°	179.6°
H20	C16	C15	H22	90.0°	60.3°
H21	C15	C14	H23	90.0°	179.3°
H21	C15	C14	H24	90.0°	59.2°
H22	C15	C14	H23	90.0°	59.3°
H22	C15	C14	H24	90.0°	60.8°
H25	C22	C23	H26	90.0°	0.1°
H26	C23	C24	H27	90.0°	0.0°

Release date:	2024-12-18
Definition date:	2024-08-12
Last modified:	2024-12-13
Release status:	REL
Processing site:	RCSB