A1A1P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C17	sing	1.53Å	0.00Å
C16	C15	sing	1.53Å	0.00Å
C17	C18	sing	1.53Å	0.00Å
C15	C14	sing	1.53Å	0.00Å
C18	C13	sing	1.53Å	0.00Å
C14	C13	sing	1.53Å	0.00Å
O	C	doub	1.22Å	0.00Å
N	C	sing	1.34Å	0.00Å
N	C1	doub	1.31Å	0.00Å
C13	C1	sing	1.51Å	0.00Å
C13	C12	sing	1.51Å	0.00Å
C	C20	sing	1.47Å	0.00Å
C1	N1	sing	1.35Å	0.00Å
C12	C11	doub	1.38Å	0.00Å	Aromatic
C12	C2	sing	1.39Å	0.00Å	Aromatic
C11	C5	sing	1.38Å	0.00Å	Aromatic
CL	C21	sing	1.74Å	0.00Å
C20	C21	sing	1.39Å	0.00Å	Aromatic
C20	C19	doub	1.40Å	0.00Å	Aromatic
N1	C2	sing	1.40Å	0.00Å
N1	C19	sing	1.39Å	0.00Å
C2	C3	doub	1.39Å	0.00Å	Aromatic
C21	C22	doub	1.38Å	0.00Å	Aromatic
C19	C24	sing	1.39Å	0.00Å	Aromatic
C5	C6	sing	1.51Å	0.00Å
C5	C4	doub	1.38Å	0.00Å	Aromatic
C6	C7	sing	1.53Å	0.00Å
C6	C10	sing	1.53Å	0.00Å
C7	C8	sing	1.53Å	0.00Å
C8	N2	sing	1.47Å	0.00Å
C3	C4	sing	1.38Å	0.00Å	Aromatic
C10	C9	sing	1.53Å	0.00Å
C22	C23	sing	1.39Å	0.00Å	Aromatic
C9	N2	sing	1.47Å	0.00Å
C24	C23	doub	1.38Å	0.00Å	Aromatic
N2	H2	sing	1.01Å	0.00Å
C4	H4	sing	1.08Å	0.00Å
C3	H5	sing	1.08Å	0.00Å
C22	H6	sing	1.08Å	0.00Å
C23	H7	sing	1.08Å	0.00Å
C24	H8	sing	1.08Å	0.00Å
C18	H9	sing	1.09Å	0.00Å
C18	H10	sing	1.09Å	0.00Å
C17	H11	sing	1.09Å	0.00Å
C17	H12	sing	1.09Å	0.00Å
C16	H13	sing	1.09Å	0.00Å
C16	H14	sing	1.09Å	0.00Å
C15	H15	sing	1.09Å	0.00Å
C15	H16	sing	1.09Å	0.00Å
C14	H17	sing	1.09Å	0.00Å
C14	H18	sing	1.09Å	0.00Å
C11	H20	sing	1.08Å	0.00Å
C6	H21	sing	1.09Å	0.00Å
C10	H22	sing	1.09Å	0.00Å
C10	H23	sing	1.09Å	0.00Å
C9	H24	sing	1.09Å	0.00Å
C9	H25	sing	1.09Å	0.00Å
C8	H26	sing	1.09Å	0.00Å
C8	H27	sing	1.09Å	0.00Å
C7	H28	sing	1.09Å	0.00Å
C7	H29	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C16	C15	90.0°	109.5°
C16	C17	C18	90.0°	109.5°
C16	C17	H11	90.0°	109.5°
C16	C17	H12	90.0°	109.5°
C17	C16	H13	90.0°	109.5°
C17	C16	H14	90.0°	109.5°
C16	C15	C14	90.0°	109.4°
C15	C16	H13	90.0°	109.4°
C15	C16	H14	90.0°	109.5°
C16	C15	H15	90.0°	109.5°
C16	C15	H16	90.0°	109.5°
C17	C18	C13	90.0°	109.5°
C17	C18	H9	90.0°	109.5°
C17	C18	H10	90.0°	109.5°
C18	C17	H11	90.0°	109.5°
C18	C17	H12	90.0°	109.5°
C15	C14	C13	90.0°	109.5°
C14	C15	H15	90.0°	109.4°
C14	C15	H16	90.0°	109.4°
C15	C14	H17	90.0°	109.5°
C15	C14	H18	90.0°	109.4°
C18	C13	C14	90.0°	110.6°
C18	C13	C1	90.0°	110.1°
C18	C13	C12	90.0°	110.6°
C13	C18	H9	90.0°	109.4°
C13	C18	H10	90.0°	109.5°
C14	C13	C1	90.0°	110.2°
C14	C13	C12	90.0°	110.6°
C13	C14	H17	90.0°	109.4°
C13	C14	H18	90.0°	109.4°
O	C	N	90.0°	121.1°
O	C	C20	90.0°	121.1°
C	N	C1	90.0°	122.4°
N	C	C20	90.0°	117.8°
N	C1	C13	90.0°	129.7°
N	C1	N1	90.0°	123.3°
C1	C13	C12	90.0°	104.6°
C13	C1	N1	90.0°	107.0°
C13	C12	C11	90.0°	133.1°
C13	C12	C2	90.0°	106.1°
C	C20	C21	90.0°	122.0°
C	C20	C19	90.0°	117.8°
C1	N1	C2	90.0°	111.7°
C1	N1	C19	90.0°	119.7°
C11	C12	C2	90.0°	120.8°
C12	C11	C5	90.0°	119.9°
C12	C11	H20	90.0°	120.0°
C12	C2	N1	90.0°	110.6°
C12	C2	C3	90.0°	119.0°
C11	C5	C6	90.0°	120.1°
C11	C5	C4	90.0°	119.9°
C5	C11	H20	90.0°	120.1°
CL	C21	C20	90.0°	120.4°
CL	C21	C22	90.0°	120.3°
C21	C20	C19	90.0°	120.2°
C20	C21	C22	90.0°	119.3°
C20	C19	N1	90.0°	119.0°
C20	C19	C24	90.0°	119.7°
C2	N1	C19	90.0°	128.7°
N1	C2	C3	90.0°	130.4°
N1	C19	C24	90.0°	121.3°
C2	C3	C4	90.0°	120.1°
C2	C3	H5	90.0°	119.9°
C21	C22	C23	90.0°	120.4°
C21	C22	H6	90.0°	119.8°
C19	C24	C23	90.0°	119.7°
C19	C24	H8	90.0°	120.2°
C6	C5	C4	90.0°	120.0°
C5	C6	C7	90.0°	109.5°
C5	C6	C10	90.0°	109.5°
C5	C6	H21	90.0°	109.5°
C5	C4	C3	90.0°	120.3°
C5	C4	H4	90.0°	119.8°
C7	C6	C10	90.0°	109.2°
C6	C7	C8	90.0°	109.3°
C7	C6	H21	90.0°	109.5°
C6	C7	H28	90.0°	109.5°
C6	C7	H29	90.0°	109.5°
C6	C10	C9	90.0°	109.2°
C10	C6	H21	90.0°	109.6°
C6	C10	H22	90.0°	109.5°
C6	C10	H23	90.0°	109.5°
C7	C8	N2	90.0°	109.5°
C7	C8	H26	90.0°	109.5°
C7	C8	H27	90.0°	109.5°
C8	C7	H28	90.0°	109.5°
C8	C7	H29	90.0°	109.5°
C8	N2	C9	90.0°	111.2°
C8	N2	H2	90.0°	111.0°
N2	C8	H26	90.0°	109.5°
N2	C8	H27	90.0°	109.4°
C3	C4	H4	90.0°	119.9°
C4	C3	H5	90.0°	119.9°
C10	C9	N2	90.0°	109.6°
C9	C10	H22	90.0°	109.5°
C9	C10	H23	90.0°	109.5°
C10	C9	H24	90.0°	109.5°
C10	C9	H25	90.0°	109.4°
C22	C23	C24	90.0°	120.8°
C23	C22	H6	90.0°	119.8°
C22	C23	H7	90.0°	119.6°
C9	N2	H2	90.0°	111.1°
N2	C9	H24	90.0°	109.5°
N2	C9	H25	90.0°	109.4°
C24	C23	H7	90.0°	119.6°
C23	C24	H8	90.0°	120.2°
H9	C18	H10	90.0°	109.5°
H11	C17	H12	90.0°	109.5°
H13	C16	H14	90.0°	109.4°
H15	C15	H16	90.0°	109.5°
H17	C14	H18	90.0°	109.5°
H22	C10	H23	90.0°	109.6°
H24	C9	H25	90.0°	109.4°
H26	C8	H27	90.0°	109.5°
H28	C7	H29	90.0°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C16	C15	H13	90.0°	120.0°
C17	C16	C15	H14	90.0°	120.1°
C16	C17	C18	H11	90.0°	120.0°
C16	C17	C18	H12	90.0°	120.0°
C17	C16	C15	C14	90.0°	60.3°
C16	C17	C18	C13	90.0°	59.3°
C16	C17	C18	H9	90.0°	60.7°
C16	C17	C18	H10	90.0°	179.3°
C16	C17	H11	H12	90.0°	120.0°
C17	C16	H13	H14	90.0°	120.0°
C17	C16	C15	H15	90.0°	179.7°
C17	C16	C15	H16	90.0°	59.6°
C15	C16	C17	C18	90.0°	60.4°
C16	C15	C14	H15	90.0°	120.0°
C16	C15	C14	H16	90.0°	120.0°
C16	C15	C14	C13	90.0°	59.2°
C15	C16	C17	H11	90.0°	179.6°
C15	C16	C17	H12	90.0°	59.6°
C15	C16	H13	H14	90.0°	119.9°
C16	C15	H15	H16	90.0°	120.1°
C16	C15	C14	H17	90.0°	179.2°
C16	C15	C14	H18	90.0°	60.7°
C17	C18	C13	H9	90.0°	120.0°
C17	C18	C13	H10	90.0°	120.0°
C17	C18	C13	C14	90.0°	58.8°
C17	C18	C13	C1	90.0°	179.2°
C17	C18	C13	C12	90.0°	64.0°
C17	C18	H9	H10	90.0°	120.0°
C18	C17	H11	H12	90.0°	120.0°
C18	C17	C16	H13	90.0°	59.6°
C18	C17	C16	H14	90.0°	179.6°
C15	C14	C13	C18	90.0°	58.8°
C15	C14	C13	H17	90.0°	120.1°
C15	C14	C13	H18	90.0°	120.0°
C15	C14	C13	C1	90.0°	179.2°
C15	C14	C13	C12	90.0°	64.0°
C14	C15	C16	H13	90.0°	59.7°
C14	C15	C16	H14	90.0°	179.6°
C14	C15	H15	H16	90.0°	119.9°
C15	C14	H17	H18	90.0°	120.0°
C18	C13	C14	C1	90.0°	122.0°
C18	C13	C14	C12	90.0°	122.9°
C18	C13	C1	N	90.0°	61.0°
C18	C13	C1	C12	90.0°	118.9°
C18	C13	C1	N1	90.0°	118.8°
C18	C13	C12	C11	90.0°	61.3°
C18	C13	C12	C2	90.0°	118.6°
C13	C18	H9	H10	90.0°	120.0°
C13	C18	C17	H11	90.0°	179.3°
C13	C18	C17	H12	90.0°	60.8°
C18	C13	C14	H17	90.0°	178.9°
C18	C13	C14	H18	90.0°	61.1°
C14	C13	C1	N	90.0°	61.3°
C14	C13	C1	C12	90.0°	118.8°
C14	C13	C1	N1	90.0°	118.9°
C14	C13	C12	C11	90.0°	61.6°
C14	C13	C12	C2	90.0°	118.5°
C14	C13	C18	H9	90.0°	61.1°
C14	C13	C18	H10	90.0°	178.9°
C13	C14	C15	H15	90.0°	179.3°
C13	C14	C15	H16	90.0°	60.8°
C13	C14	H17	H18	90.0°	119.9°
O	C	N	C20	90.0°	179.9°
O	C	N	C1	90.0°	179.9°
O	C	C20	C21	90.0°	0.2°
O	C	C20	C19	90.0°	179.9°
C	N	C1	C13	90.0°	179.7°
C	N	C1	N1	90.0°	0.1°
N	C	C20	C21	90.0°	180.0°
N	C	C20	C19	90.0°	0.1°
N	C1	C13	N1	90.0°	179.8°
N	C1	C13	C12	90.0°	179.9°
C1	N	C	C20	90.0°	0.1°
N	C1	N1	C2	90.0°	180.0°
N	C1	N1	C19	90.0°	0.0°
C1	C13	C12	C11	90.0°	179.8°
C1	C13	C12	C2	90.0°	0.1°
C13	C1	N1	C2	90.0°	0.2°
C13	C1	N1	C19	90.0°	179.8°
C1	C13	C18	H9	90.0°	60.9°
C1	C13	C18	H10	90.0°	59.2°
C1	C13	C14	H17	90.0°	59.1°
C1	C13	C14	H18	90.0°	60.8°
C12	C13	C1	N1	90.0°	0.1°
C13	C12	C11	C2	90.0°	179.9°
C13	C12	C11	C5	90.0°	180.0°
C13	C12	C2	N1	90.0°	0.2°
C13	C12	C2	C3	90.0°	179.9°
C12	C13	C18	H9	90.0°	176.0°
C12	C13	C18	H10	90.0°	56.0°
C12	C13	C14	H17	90.0°	56.0°
C12	C13	C14	H18	90.0°	176.0°
C13	C12	C11	H20	90.0°	0.1°
C	C20	C21	CL	90.0°	0.1°
C	C20	C21	C19	90.0°	179.9°
C	C20	C19	N1	90.0°	0.1°
C	C20	C21	C22	90.0°	179.9°
C	C20	C19	C24	90.0°	179.9°
C1	N1	C2	C12	90.0°	0.3°
C1	N1	C19	C20	90.0°	0.0°
C1	N1	C2	C19	90.0°	180.0°
C1	N1	C2	C3	90.0°	180.0°
C1	N1	C19	C24	90.0°	180.0°
C12	C11	C5	H20	90.0°	180.0°
C11	C12	C2	N1	90.0°	179.7°
C11	C12	C2	C3	90.0°	0.0°
C12	C11	C5	C6	90.0°	179.7°
C12	C11	C5	C4	90.0°	0.2°
C2	C12	C11	C5	90.0°	0.1°
C12	C2	N1	C3	90.0°	179.7°
C12	C2	N1	C19	90.0°	179.7°
C12	C2	C3	C4	90.0°	0.3°
C12	C2	C3	H5	90.0°	179.7°
C2	C12	C11	H20	90.0°	180.0°
C11	C5	C6	C4	90.0°	179.4°
C11	C5	C6	C7	90.0°	120.6°
C11	C5	C6	C10	90.0°	119.8°
C11	C5	C4	C3	90.0°	0.6°
C11	C5	C4	H4	90.0°	179.4°
C11	C5	C6	H21	90.0°	0.4°
CL	C21	C20	C22	90.0°	180.0°
CL	C21	C20	C19	90.0°	180.0°
CL	C21	C22	C23	90.0°	180.0°
CL	C21	C22	H6	90.0°	0.0°
C21	C20	C19	N1	90.0°	180.0°
C21	C20	C19	C24	90.0°	0.0°
C20	C21	C22	C23	90.0°	0.0°
C20	C21	C22	H6	90.0°	180.0°
C20	C19	N1	C2	90.0°	180.0°
C20	C19	N1	C24	90.0°	180.0°
C19	C20	C21	C22	90.0°	0.0°
C20	C19	C24	C23	90.0°	0.0°
C20	C19	C24	H8	90.0°	179.9°
C2	N1	C19	C24	90.0°	0.0°
N1	C2	C3	C4	90.0°	180.0°
N1	C2	C3	H5	90.0°	0.1°
C19	N1	C2	C3	90.0°	0.0°
N1	C19	C24	C23	90.0°	179.9°
N1	C19	C24	H8	90.0°	0.1°
C2	C3	C4	C5	90.0°	0.6°
C2	C3	C4	H5	90.0°	180.0°
C2	C3	C4	H4	90.0°	179.4°
C21	C22	C23	H6	90.0°	180.0°
C21	C22	C23	C24	90.0°	0.0°
C21	C22	C23	H7	90.0°	180.0°
C19	C24	C23	C22	90.0°	0.1°
C19	C24	C23	H8	90.0°	179.9°
C19	C24	C23	H7	90.0°	180.0°
C5	C6	C7	C10	90.0°	119.9°
C5	C6	C7	H21	90.0°	120.1°
C5	C6	C10	H21	90.0°	120.2°
C5	C6	C7	C8	90.0°	177.6°
C6	C5	C4	C3	90.0°	180.0°
C5	C6	C10	C9	90.0°	177.6°
C6	C5	C4	H4	90.0°	0.0°
C6	C5	C11	H20	90.0°	0.3°
C5	C6	C10	H22	90.0°	57.6°
C5	C6	C10	H23	90.0°	62.5°
C5	C6	C7	H28	90.0°	62.5°
C5	C6	C7	H29	90.0°	57.6°
C4	C5	C6	C7	90.0°	60.0°
C4	C5	C6	C10	90.0°	59.6°
C5	C4	C3	H4	90.0°	180.0°
C5	C4	C3	H5	90.0°	179.4°
C4	C5	C11	H20	90.0°	179.7°
C4	C5	C6	H21	90.0°	179.9°
C7	C6	C10	H21	90.0°	120.0°
C6	C7	C8	H28	90.0°	119.9°
C6	C7	C8	H29	90.0°	119.9°
C6	C7	C8	N2	90.0°	59.2°
C7	C6	C10	C9	90.0°	57.7°
C7	C6	C10	H22	90.0°	62.2°
C7	C6	C10	H23	90.0°	177.6°
C6	C7	C8	H26	90.0°	179.2°
C6	C7	C8	H27	90.0°	60.8°
C6	C7	H28	H29	90.0°	120.1°
C10	C6	C7	C8	90.0°	57.7°
C6	C10	C9	H22	90.0°	119.9°
C6	C10	C9	H23	90.0°	119.9°
C6	C10	C9	N2	90.0°	59.2°
C6	C10	H22	H23	90.0°	120.1°
C6	C10	C9	H24	90.0°	60.8°
C6	C10	C9	H25	90.0°	179.2°
C10	C6	C7	H28	90.0°	177.6°
C10	C6	C7	H29	90.0°	62.2°
C7	C8	N2	H26	90.0°	120.1°
C7	C8	N2	H27	90.0°	120.0°
C7	C8	N2	C9	90.0°	61.7°
C7	C8	N2	H2	90.0°	174.1°
C8	C7	C6	H21	90.0°	62.3°
C7	C8	H26	H27	90.0°	120.0°
C8	C7	H28	H29	90.0°	120.1°
C8	N2	C9	C10	90.0°	61.8°
C8	N2	C9	H2	90.0°	124.1°
C8	N2	C9	H24	90.0°	58.3°
C8	N2	C9	H25	90.0°	178.3°
N2	C8	H26	H27	90.0°	119.9°
N2	C8	C7	H28	90.0°	179.1°
N2	C8	C7	H29	90.0°	60.8°
C10	C9	N2	H24	90.0°	120.1°
C10	C9	N2	H25	90.0°	120.0°
C10	C9	N2	H2	90.0°	174.1°
C9	C10	C6	H21	90.0°	62.3°
C9	C10	H22	H23	90.0°	120.2°
C10	C9	H24	H25	90.0°	119.9°
C22	C23	C24	H7	90.0°	179.9°
C22	C23	C24	H8	90.0°	179.9°
N2	C9	C10	H22	90.0°	60.7°
N2	C9	C10	H23	90.0°	179.1°
N2	C9	H24	H25	90.0°	119.9°
C9	N2	C8	H26	90.0°	178.2°
C9	N2	C8	H27	90.0°	58.3°
C24	C23	C22	H6	90.0°	180.0°
H2	N2	C9	H24	90.0°	65.8°
H2	N2	C9	H25	90.0°	54.1°
H2	N2	C8	H26	90.0°	54.1°
H2	N2	C8	H27	90.0°	65.9°
H4	C4	C3	H5	90.0°	0.6°
H6	C22	C23	H7	90.0°	0.1°
H7	C23	C24	H8	90.0°	0.1°
H9	C18	C17	H11	90.0°	59.3°
H9	C18	C17	H12	90.0°	179.3°
H10	C18	C17	H11	90.0°	60.7°
H10	C18	C17	H12	90.0°	59.2°
H11	C17	C16	H13	90.0°	60.4°
H11	C17	C16	H14	90.0°	59.6°
H12	C17	C16	H13	90.0°	179.6°
H12	C17	C16	H14	90.0°	60.4°
H13	C16	C15	H15	90.0°	60.3°
H13	C16	C15	H16	90.0°	179.6°
H14	C16	C15	H15	90.0°	59.6°
H14	C16	C15	H16	90.0°	60.4°
H15	C15	C14	H17	90.0°	60.7°
H15	C15	C14	H18	90.0°	59.3°
H16	C15	C14	H17	90.0°	59.3°
H16	C15	C14	H18	90.0°	179.3°
H21	C6	C10	H22	90.0°	177.8°
H21	C6	C10	H23	90.0°	57.6°
H21	C6	C7	H28	90.0°	57.6°
H21	C6	C7	H29	90.0°	177.7°
H22	C10	C9	H24	90.0°	179.2°
H22	C10	C9	H25	90.0°	59.3°
H23	C10	C9	H24	90.0°	59.0°
H23	C10	C9	H25	90.0°	60.9°
H26	C8	C7	H28	90.0°	60.9°
H26	C8	C7	H29	90.0°	59.3°
H27	C8	C7	H28	90.0°	59.1°
H27	C8	C7	H29	90.0°	179.3°

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