A1MA2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N34	C33	trip	1.14Å	1.13Å
C33	C32	sing	1.43Å	1.53Å
C35	C32	doub	1.40Å	1.38Å	Aromatic
C35	C36	sing	1.38Å	1.38Å	Aromatic
C32	C31	sing	1.39Å	1.38Å	Aromatic
C36	C37	doub	1.38Å	1.38Å	Aromatic
C31	C30	doub	1.39Å	1.37Å	Aromatic
C40	N39	sing	1.46Å	1.45Å
C37	C30	sing	1.40Å	1.38Å	Aromatic
C37	CL38	sing	1.74Å	1.79Å
C30	C29	sing	1.48Å	1.51Å
N39	C29	sing	1.37Å	1.47Å
N39	C02	sing	1.35Å	1.48Å
C29	C28	doub	1.38Å	1.51Å
O01	C02	doub	1.22Å	1.18Å
C02	C03	sing	1.41Å	1.54Å
C28	C27	sing	1.40Å	1.50Å
C03	C27	doub	1.41Å	1.46Å
C03	C04	sing	1.46Å	1.51Å
C27	N07	sing	1.38Å	1.46Å
O26	C04	doub	1.22Å	1.18Å
C04	N05	sing	1.35Å	1.45Å
N07	C08	sing	1.47Å	1.44Å
N07	C06	sing	1.34Å	1.47Å
C08	C09	sing	1.51Å	1.52Å
C09	C17	doub	1.38Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C17	C15	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C15	F16	sing	1.35Å	1.36Å
C15	C13	doub	1.39Å	1.38Å	Aromatic
C11	C13	sing	1.39Å	1.38Å	Aromatic
C11	F12	sing	1.35Å	1.36Å
C13	F14	sing	1.35Å	1.36Å
N05	C06	sing	1.34Å	1.48Å
N05	C19	sing	1.46Å	1.45Å
C06	O18	doub	1.22Å	1.17Å
N21	C20	doub	1.31Å	1.31Å	Aromatic
N21	N22	sing	1.40Å	1.34Å	Aromatic
C19	C20	sing	1.51Å	1.51Å
C23	N22	sing	1.46Å	1.45Å
C20	N25	sing	1.33Å	1.33Å	Aromatic
N22	C24	sing	1.34Å	1.31Å	Aromatic
N25	C24	doub	1.31Å	1.33Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C08	H2	sing	1.09Å	1.10Å
C08	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.08Å	1.08Å
C19	H5	sing	1.09Å	1.10Å
C19	H6	sing	1.09Å	1.10Å
C23	H7	sing	1.09Å	1.10Å
C23	H8	sing	1.09Å	1.10Å
C23	H9	sing	1.09Å	1.10Å
C24	H10	sing	1.08Å	1.08Å
C28	H11	sing	1.08Å	1.08Å
C31	H12	sing	1.08Å	1.08Å
C35	H13	sing	1.08Å	1.08Å
C36	H14	sing	1.08Å	1.08Å
C40	H15	sing	1.09Å	1.10Å
C40	H16	sing	1.09Å	1.10Å
C40	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N34	C33	C32	179.8°	180.0°
C33	C32	C35	120.0°	120.1°
C33	C32	C31	119.3°	120.1°
C32	C35	C36	120.8°	120.2°
C35	C32	C31	120.7°	119.8°
C32	C35	H13	119.6°	119.9°
C35	C36	C37	118.7°	120.3°
C36	C35	H13	119.6°	119.9°
C35	C36	H14	120.7°	119.9°
C32	C31	C30	118.0°	119.7°
C32	C31	H12	121.0°	120.1°
C36	C37	C30	119.9°	120.1°
C36	C37	CL38	120.7°	119.9°
C37	C36	H14	120.6°	119.8°
C31	C30	C37	121.9°	119.8°
C31	C30	C29	124.4°	120.1°
C30	C31	H12	121.0°	120.1°
C40	N39	C29	120.5°	119.4°
C40	N39	C02	120.1°	119.4°
N39	C40	H15	109.5°	109.4°
N39	C40	H16	109.5°	109.5°
N39	C40	H17	109.5°	109.5°
C30	C37	CL38	119.4°	119.9°
C37	C30	C29	113.6°	120.1°
C30	C29	N39	121.8°	119.4°
C30	C29	C28	116.2°	119.4°
C29	N39	C02	119.4°	121.2°
N39	C29	C28	121.9°	121.2°
N39	C02	O01	120.0°	120.2°
N39	C02	C03	119.3°	119.6°
C29	C28	C27	118.7°	119.3°
C29	C28	H11	120.7°	120.4°
O01	C02	C03	120.7°	120.2°
C02	C03	C27	120.4°	119.6°
C02	C03	C04	120.8°	122.1°
C28	C27	C03	120.3°	119.0°
C28	C27	N07	118.6°	122.1°
C27	C28	H11	120.6°	120.3°
C27	C03	C04	118.8°	118.3°
C03	C27	N07	121.1°	118.9°
C03	C04	O26	120.1°	120.9°
C03	C04	N05	119.5°	118.2°
C27	N07	C08	119.6°	119.6°
C27	N07	C06	120.2°	120.6°
O26	C04	N05	120.4°	120.9°
C04	N05	C06	121.1°	121.2°
C04	N05	C19	117.4°	119.4°
C08	N07	C06	120.2°	119.7°
N07	C08	C09	110.2°	109.5°
N07	C08	H2	109.3°	109.5°
N07	C08	H3	109.3°	109.5°
N07	C06	N05	119.3°	122.8°
N07	C06	O18	119.0°	118.6°
C08	C09	C17	120.6°	119.9°
C08	C09	C10	118.4°	120.0°
C09	C08	H2	109.3°	109.5°
C09	C08	H3	109.3°	109.4°
C17	C09	C10	120.9°	120.1°
C09	C17	C15	119.2°	120.0°
C09	C17	H4	120.4°	120.0°
C09	C10	C11	119.7°	120.0°
C09	C10	H1	120.1°	120.0°
C17	C15	F16	120.6°	120.0°
C17	C15	C13	120.0°	120.0°
C15	C17	H4	120.4°	120.0°
C10	C11	C13	119.8°	120.0°
C10	C11	F12	119.7°	120.1°
C11	C10	H1	120.2°	120.0°
F16	C15	C13	119.4°	120.0°
C15	C13	C11	120.3°	119.9°
C15	C13	F14	119.4°	120.1°
C13	C11	F12	120.5°	120.0°
C11	C13	F14	120.3°	120.0°
C06	N05	C19	121.4°	119.4°
N05	C06	O18	121.7°	118.6°
N05	C19	C20	117.7°	109.5°
N05	C19	H5	107.4°	109.5°
N05	C19	H6	107.4°	109.5°
C20	N21	N22	106.4°	106.8°
N21	C20	C19	127.9°	125.5°
N21	C20	N25	109.5°	108.9°
N21	N22	C23	125.6°	126.8°
N21	N22	C24	109.3°	106.3°
C19	C20	N25	122.6°	125.5°
C20	C19	H5	107.3°	109.4°
C20	C19	H6	107.4°	109.4°
C23	N22	C24	125.1°	126.9°
N22	C23	H7	109.5°	109.4°
N22	C23	H8	109.5°	109.5°
N22	C23	H9	109.5°	109.5°
C20	N25	C24	106.8°	109.8°
N22	C24	N25	108.0°	108.1°
N22	C24	H10	126.0°	125.9°
N25	C24	H10	126.0°	126.0°
H2	C08	H3	109.5°	109.5°
H5	C19	H6	109.5°	109.5°
H7	C23	H8	109.5°	109.4°
H7	C23	H9	109.5°	109.5°
H8	C23	H9	109.4°	109.5°
H15	C40	H16	109.5°	109.5°
H15	C40	H17	109.4°	109.5°
H16	C40	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N34	C33	C32	C35	125.3°	0.7°
N34	C33	C32	C31	54.7°	179.3°
C33	C32	C35	C31	179.9°	180.0°
C33	C32	C35	C36	179.9°	180.0°
C33	C32	C31	C30	178.9°	180.0°
C33	C32	C31	H12	1.1°	0.1°
C33	C32	C35	H13	0.1°	0.0°
C32	C35	C36	H13	180.0°	180.0°
C32	C35	C36	C37	0.1°	0.3°
C35	C32	C31	C30	1.2°	0.1°
C35	C32	C31	H12	178.8°	179.9°
C32	C35	C36	H14	179.9°	180.0°
C36	C35	C32	C31	0.2°	0.0°
C35	C36	C37	H14	180.0°	179.7°
C35	C36	C37	C30	1.0°	0.6°
C35	C36	C37	CL38	179.9°	180.0°
C32	C31	C30	H12	180.0°	179.9°
C32	C31	C30	C37	2.1°	0.3°
C32	C31	C30	C29	178.5°	180.0°
C31	C32	C35	H13	179.9°	180.0°
C36	C37	C30	C31	2.1°	0.6°
C36	C37	C30	CL38	178.9°	179.4°
C36	C37	C30	C29	178.8°	179.7°
C37	C36	C35	H13	180.0°	179.7°
C31	C30	C37	C29	176.7°	179.7°
C31	C30	C37	CL38	179.0°	180.0°
C31	C30	C29	N39	107.9°	65.2°
C31	C30	C29	C28	76.3°	114.4°
C40	N39	C29	C30	3.5°	0.4°
C40	N39	C29	C02	179.1°	179.3°
C40	N39	C29	C28	179.0°	180.0°
C40	N39	C02	O01	0.2°	0.3°
C40	N39	C02	C03	179.8°	180.0°
N39	C40	H15	H16	120.0°	120.0°
N39	C40	H15	H17	120.0°	120.0°
N39	C40	H16	H17	120.0°	120.0°
C37	C30	C29	N39	75.4°	114.4°
C37	C30	C29	C28	100.3°	66.0°
C37	C30	C31	H12	177.9°	179.8°
C30	C37	C36	H14	179.0°	179.8°
CL38	C37	C30	C29	2.3°	0.3°
CL38	C37	C36	H14	0.2°	0.3°
C30	C29	N39	C28	175.5°	179.6°
C30	C29	N39	C02	177.4°	179.7°
C30	C29	C28	C27	177.5°	180.0°
C30	C29	C28	H11	2.5°	0.1°
C29	C30	C31	H12	1.5°	0.1°
C29	N39	C02	O01	179.2°	179.6°
C29	N39	C02	C03	1.1°	0.7°
N39	C29	C28	C27	1.8°	0.4°
N39	C29	C28	H11	178.2°	179.7°
C29	N39	C40	H15	180.0°	84.9°
C29	N39	C40	H16	60.0°	155.2°
C29	N39	C40	H17	60.0°	35.1°
C02	N39	C29	C28	2.0°	0.7°
N39	C02	O01	C03	179.7°	179.7°
N39	C02	C03	C27	0.1°	0.3°
N39	C02	C03	C04	180.0°	179.7°
C02	N39	C40	H15	0.9°	95.8°
C02	N39	C40	H16	120.9°	24.2°
C02	N39	C40	H17	119.1°	144.2°
C29	C28	C27	H11	180.0°	179.9°
C29	C28	C27	C03	0.7°	0.0°
C29	C28	C27	N07	178.9°	179.9°
O01	C02	C03	C27	179.7°	180.0°
O01	C02	C03	C04	0.3°	0.0°
C02	C03	C27	C28	0.1°	0.0°
C02	C03	C27	C04	180.0°	180.0°
C02	C03	C27	N07	179.7°	180.0°
C02	C03	C04	O26	0.1°	0.1°
C02	C03	C04	N05	179.5°	180.0°
C28	C27	C03	N07	179.6°	180.0°
C28	C27	C03	C04	179.8°	180.0°
C28	C27	N07	C08	0.0°	0.0°
C28	C27	N07	C06	180.0°	179.9°
C27	C03	C04	O26	179.9°	180.0°
C27	C03	C04	N05	0.5°	0.0°
C03	C27	N07	C08	179.6°	180.0°
C03	C27	N07	C06	0.5°	0.0°
C03	C27	C28	H11	179.3°	179.9°
C04	C03	C27	N07	0.3°	0.0°
C03	C04	O26	N05	179.7°	179.9°
C03	C04	N05	C06	0.9°	0.1°
C03	C04	N05	C19	177.8°	180.0°
C27	N07	C08	C06	180.0°	180.0°
C27	N07	C08	C09	84.8°	91.9°
C27	N07	C06	N05	0.8°	0.1°
C27	N07	C06	O18	179.8°	180.0°
C27	N07	C08	H2	155.1°	28.2°
C27	N07	C08	H3	35.3°	148.2°
N07	C27	C28	H11	1.1°	0.0°
O26	C04	N05	C06	179.5°	180.0°
O26	C04	N05	C19	2.5°	0.0°
C04	N05	C06	N07	1.0°	0.1°
C04	N05	C06	C19	176.8°	179.9°
C04	N05	C06	O18	179.6°	180.0°
C04	N05	C19	C20	108.1°	90.0°
C04	N05	C19	H5	130.7°	150.0°
C04	N05	C19	H6	13.0°	30.0°
N07	C08	C09	H2	120.1°	120.1°
N07	C08	C09	H3	120.1°	120.0°
N07	C08	C09	C17	2.6°	93.9°
N07	C08	C09	C10	177.4°	86.7°
C08	N07	C06	N05	179.2°	179.9°
C08	N07	C06	O18	0.2°	0.0°
N07	C08	H2	H3	119.7°	120.0°
C06	N07	C08	C09	95.2°	88.1°
N07	C06	N05	O18	179.4°	179.9°
N07	C06	N05	C19	177.9°	180.0°
C06	N07	C08	H2	25.0°	151.8°
C06	N07	C08	H3	144.7°	31.8°
C08	C09	C17	C10	179.9°	179.4°
C08	C09	C17	C15	179.8°	180.0°
C08	C09	C10	C11	179.9°	180.0°
C08	C09	C10	H1	0.2°	0.4°
C09	C08	H2	H3	119.7°	119.9°
C08	C09	C17	H4	0.2°	0.0°
C09	C17	C15	H4	180.0°	180.0°
C17	C09	C10	C11	0.2°	0.6°
C09	C17	C15	F16	179.8°	179.7°
C09	C17	C15	C13	0.3°	0.3°
C17	C09	C10	H1	179.8°	179.8°
C17	C09	C08	H2	122.7°	26.1°
C17	C09	C08	H3	117.5°	146.1°
C10	C09	C17	C15	0.3°	0.6°
C09	C10	C11	H1	180.0°	179.6°
C09	C10	C11	C13	0.2°	0.4°
C09	C10	C11	F12	179.9°	179.7°
C10	C09	C08	H2	57.3°	153.3°
C10	C09	C08	H3	62.5°	33.3°
C10	C09	C17	H4	179.7°	179.4°
C17	C15	F16	C13	179.5°	180.0°
C17	C15	C13	C11	0.3°	0.0°
C17	C15	C13	F14	179.9°	180.0°
C10	C11	C13	C15	0.2°	0.1°
C10	C11	C13	F12	179.7°	179.9°
C10	C11	C13	F14	179.9°	180.0°
F16	C15	C13	C11	179.8°	179.9°
F16	C15	C13	F14	0.6°	0.0°
F16	C15	C17	H4	0.2°	0.3°
C15	C13	C11	F14	179.6°	180.0°
C15	C13	C11	F12	179.9°	180.0°
C13	C15	C17	H4	179.7°	179.7°
C13	C11	C10	H1	179.8°	180.0°
F12	C11	C13	F14	0.4°	0.1°
F12	C11	C10	H1	0.1°	0.1°
C06	N05	C19	C20	74.9°	90.0°
C06	N05	C19	H5	46.3°	29.9°
C06	N05	C19	H6	163.9°	150.0°
C19	N05	C06	O18	2.7°	0.0°
N05	C19	C20	N21	11.8°	89.7°
N05	C19	C20	H5	121.2°	120.0°
N05	C19	C20	H6	121.2°	120.0°
N05	C19	C20	N25	169.0°	89.9°
N05	C19	H5	H6	116.3°	120.0°
N21	C20	C19	N25	179.1°	179.6°
C20	N21	N22	C23	179.7°	180.0°
C20	N21	N22	C24	0.2°	0.0°
N21	C20	N25	C24	0.4°	0.4°
N21	C20	C19	H5	133.0°	150.3°
N21	C20	C19	H6	109.4°	30.4°
N22	N21	C20	C19	179.5°	179.9°
N21	N22	C23	C24	179.9°	180.0°
N22	N21	C20	N25	0.3°	0.3°
N21	N22	C24	N25	0.1°	0.2°
N21	N22	C23	H7	0.0°	90.0°
N21	N22	C23	H8	120.0°	150.1°
N21	N22	C23	H9	120.0°	30.0°
N21	N22	C24	H10	179.9°	180.0°
C19	C20	N25	C24	179.6°	179.9°
C20	C19	H5	H6	116.2°	119.9°
C23	N22	C24	N25	180.0°	179.7°
N22	C23	H7	H8	120.0°	119.9°
N22	C23	H7	H9	120.0°	120.0°
N22	C23	H8	H9	120.0°	120.0°
C23	N22	C24	H10	0.0°	0.0°
C20	N25	C24	N22	0.3°	0.4°
N25	C20	C19	H5	47.9°	30.1°
N25	C20	C19	H6	69.8°	150.1°
C20	N25	C24	H10	179.7°	179.9°
N22	C24	N25	H10	180.0°	179.7°
C24	N22	C23	H7	179.9°	90.0°
C24	N22	C23	H8	59.9°	29.9°
C24	N22	C23	H9	60.1°	150.0°
H7	C23	H8	H9	120.0°	120.1°
H13	C35	C36	H14	0.0°	0.0°
H15	C40	H16	H17	119.9°	120.0°

Release date:	2025-09-24
Definition date:	2025-07-11
Last modified:	2025-09-19
Release status:	REL
Processing site:	PDBJ
Derived from:	9VS1