MZE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N	sing	1.46Å	1.48Å
N	C4	sing	1.35Å	1.35Å
O	C4	doub	1.22Å	1.23Å
C4	N1	sing	1.35Å	1.37Å
N1	C5	sing	1.47Å	1.46Å
C5	C32	sing	1.53Å	1.51Å
C5	C6	sing	1.53Å	1.51Å
C32	C31	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.53Å
C31	N2	sing	1.47Å	1.47Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C7	N2	sing	1.47Å	1.47Å
C12	C11	sing	1.38Å	1.39Å	Aromatic
N2	C8	sing	1.35Å	1.35Å
C14	C15	doub	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.51Å	1.51Å
C11	C17	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.53Å	1.54Å
C8	C9	sing	1.51Å	1.53Å
C8	O1	doub	1.21Å	1.21Å
C15	C17	sing	1.40Å	1.39Å	Aromatic
C15	C16	sing	1.48Å	1.49Å
C9	N5	sing	1.47Å	1.47Å
N3	C16	sing	1.38Å	1.27Å
C20	C19	doub	1.38Å	1.38Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C16	N4	doub	1.30Å	1.35Å
C19	C18	sing	1.38Å	1.38Å	Aromatic
C21	C22	doub	1.39Å	1.39Å	Aromatic
N5	S	sing	1.66Å	1.62Å
C24	C25	doub	1.38Å	1.38Å	Aromatic
C24	C23	sing	1.39Å	1.40Å	Aromatic
C18	C30	doub	1.38Å	1.39Å	Aromatic
C18	S	sing	1.76Å	1.77Å
O3	S	doub	1.42Å	1.43Å
C22	C30	sing	1.39Å	1.40Å	Aromatic
C22	C23	sing	1.48Å	1.48Å
C25	C26	sing	1.38Å	1.38Å	Aromatic
S	O2	doub	1.42Å	1.43Å
C23	C29	doub	1.39Å	1.40Å	Aromatic
C26	C27	doub	1.40Å	1.39Å	Aromatic
C29	C27	sing	1.39Å	1.39Å	Aromatic
C27	C28	sing	1.48Å	1.48Å
C28	N6	sing	1.38Å	1.28Å
C28	N7	doub	1.30Å	1.33Å
C7	H16	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C17	H25	sing	1.08Å	1.08Å
C20	H28	sing	1.08Å	1.08Å
C21	H29	sing	1.08Å	1.08Å
C24	H30	sing	1.08Å	1.08Å
C26	H32	sing	1.08Å	1.08Å
C25	H31	sing	1.08Å	1.08Å
C19	H27	sing	1.08Å	1.08Å
C29	H36	sing	1.08Å	1.08Å
C12	H19	sing	1.08Å	1.08Å
C9	H	sing	1.09Å	1.10Å
C31	H39	sing	1.09Å	1.10Å
C31	H38	sing	1.09Å	1.10Å
C14	H21	sing	1.08Å	1.08Å
N6	H4	sing	0.97Å	1.00Å
N6	H33	sing	0.97Å	1.00Å
N5	H26	sing	0.97Å	1.00Å
N	H10	sing	0.97Å	1.00Å
C13	H20	sing	1.08Å	1.08Å
C30	H37	sing	1.08Å	1.08Å
C32	H41	sing	1.09Å	1.10Å
C32	H40	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
N1	H11	sing	0.97Å	1.00Å
N3	H6	sing	0.97Å	1.00Å
N3	H5	sing	0.97Å	1.00Å
N4	H23	sing	0.97Å	1.00Å
N7	H34	sing	0.97Å	1.00Å
C1	C2	sing	1.53Å	46.37Å
C1	C3	sing	1.53Å	46.37Å
C1	C33	sing	1.53Å	46.37Å
C2	H1	sing	1.09Å	0.00Å
C2	H2	sing	1.09Å	0.00Å
C2	H3	sing	1.09Å	0.00Å
C3	H7	sing	1.09Å	0.00Å
C3	H8	sing	1.09Å	0.00Å
C3	H9	sing	1.09Å	0.00Å
C33	H22	sing	1.09Å	0.00Å
C33	H24	sing	1.09Å	0.00Å
C33	H35	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N	C4	125.6°	120.0°
C1	N	H10	117.2°	120.0°
N	C1	C2	121.6°	109.5°
N	C1	C3	121.6°	109.5°
N	C1	C33	121.6°	109.5°
N	C4	O	122.2°	120.0°
N	C4	N1	115.8°	120.0°
C4	N	H10	117.2°	120.0°
O	C4	N1	122.0°	120.0°
C4	N1	C5	123.8°	119.9°
C4	N1	H11	118.1°	120.0°
N1	C5	C32	111.8°	109.4°
N1	C5	C6	111.1°	109.4°
N1	C5	H12	108.4°	109.5°
C5	N1	H11	118.1°	120.0°
C32	C5	C6	110.0°	109.5°
C5	C32	C31	110.2°	109.3°
C5	C32	H41	109.3°	109.6°
C5	C32	H40	109.3°	109.5°
C32	C5	H12	107.7°	109.5°
C5	C6	C7	110.3°	109.3°
C6	C5	H12	107.7°	109.5°
C5	C6	H14	109.3°	109.5°
C5	C6	H13	109.2°	109.5°
C32	C31	N2	110.8°	108.7°
C32	C31	H39	109.1°	109.6°
C32	C31	H38	109.2°	109.7°
C31	C32	H41	109.3°	109.5°
C31	C32	H40	109.3°	109.5°
C6	C7	N2	111.5°	108.8°
C6	C7	H16	109.0°	109.6°
C6	C7	H15	109.0°	109.7°
C7	C6	H14	109.2°	109.5°
C7	C6	H13	109.3°	109.5°
C31	N2	C7	111.7°	118.8°
C31	N2	C8	127.9°	120.6°
N2	C31	H39	109.2°	109.5°
N2	C31	H38	109.1°	109.6°
C12	C13	C14	120.2°	120.1°
C13	C12	C11	120.6°	120.3°
C13	C12	H19	119.7°	119.9°
C12	C13	H20	119.9°	120.0°
C13	C14	C15	120.2°	119.9°
C13	C14	H21	119.9°	120.1°
C14	C13	H20	119.9°	119.9°
C7	N2	C8	120.4°	120.6°
N2	C7	H16	109.0°	109.6°
N2	C7	H15	109.0°	109.6°
C12	C11	C10	121.0°	120.0°
C12	C11	C17	118.7°	120.1°
C11	C12	H19	119.7°	119.8°
N2	C8	C9	118.9°	120.0°
N2	C8	O1	122.2°	120.0°
C14	C15	C17	119.3°	119.7°
C14	C15	C16	119.5°	120.2°
C15	C14	H21	119.9°	120.0°
C10	C11	C17	120.3°	119.9°
C11	C10	C9	115.6°	109.4°
C11	C10	H17	107.9°	109.5°
C11	C10	H18	107.9°	109.4°
C11	C17	C15	120.9°	119.9°
C11	C17	H25	119.5°	120.1°
C10	C9	C8	108.9°	109.4°
C10	C9	N5	112.4°	109.5°
C9	C10	H17	107.9°	109.4°
C9	C10	H18	107.9°	109.5°
C10	C9	H	108.0°	109.4°
C9	C8	O1	118.9°	120.0°
C8	C9	N5	110.4°	109.5°
C8	C9	H	108.2°	109.5°
C17	C15	C16	121.1°	120.1°
C15	C17	H25	119.6°	120.0°
C15	C16	N3	121.4°	120.0°
C15	C16	N4	119.1°	120.0°
C9	N5	S	118.1°	120.0°
N5	C9	H	108.9°	109.5°
C9	N5	H26	107.3°	120.0°
N3	C16	N4	119.5°	120.0°
C16	N3	H6	120.0°	120.0°
C16	N3	H5	120.0°	120.0°
C19	C20	C21	120.6°	120.1°
C20	C19	C18	118.9°	120.2°
C19	C20	H28	119.7°	119.9°
C20	C19	H27	120.5°	119.9°
C20	C21	C22	121.0°	119.9°
C21	C20	H28	119.7°	120.0°
C20	C21	H29	119.5°	120.0°
C16	N4	H23	112.0°	120.0°
C19	C18	C30	121.3°	120.1°
C19	C18	S	119.3°	119.9°
C18	C19	H27	120.6°	119.9°
C21	C22	C30	118.4°	119.8°
C21	C22	C23	120.5°	120.1°
C22	C21	H29	119.5°	120.1°
N5	S	C18	107.1°	107.2°
N5	S	O3	105.0°	106.4°
N5	S	O2	108.2°	106.4°
S	N5	H26	107.3°	120.0°
C25	C24	C23	120.7°	120.2°
C24	C25	C26	120.3°	120.2°
C25	C24	H30	119.7°	119.9°
C24	C25	H31	119.9°	119.9°
C24	C23	C22	120.7°	120.1°
C24	C23	C29	118.3°	119.9°
C23	C24	H30	119.6°	119.9°
C30	C18	S	119.4°	119.9°
C18	C30	C22	119.8°	119.8°
C18	C30	H37	120.1°	120.1°
C18	S	O3	107.5°	106.4°
C18	S	O2	109.1°	106.4°
O3	S	O2	119.2°	123.2°
C30	C22	C23	121.1°	120.1°
C22	C30	H37	120.1°	120.1°
C22	C23	C29	121.0°	120.0°
C25	C26	C27	120.3°	120.1°
C25	C26	H32	119.8°	120.0°
C26	C25	H31	119.9°	119.8°
C23	C29	C27	121.2°	119.7°
C23	C29	H36	119.4°	120.2°
C26	C27	C29	119.3°	119.9°
C26	C27	C28	119.7°	120.1°
C27	C26	H32	119.9°	120.0°
C29	C27	C28	121.0°	120.1°
C27	C29	H36	119.4°	120.1°
C27	C28	N6	121.0°	120.0°
C27	C28	N7	117.9°	120.0°
N6	C28	N7	121.0°	120.0°
C28	N6	H4	120.0°	120.0°
C28	N6	H33	120.0°	120.0°
C28	N7	H34	112.0°	119.9°
H16	C7	H15	109.4°	109.6°
H17	C10	H18	109.5°	109.5°
H39	C31	H38	109.4°	109.6°
H4	N6	H33	120.0°	120.0°
H41	C32	H40	109.5°	109.5°
H14	C6	H13	109.5°	109.5°
H6	N3	H5	120.0°	120.0°
C2	C1	C3	NaN°	109.5°
C2	C1	C33	NaN°	109.5°
C1	C2	H1	90.0°	109.5°
C1	C2	H2	90.0°	109.5°
C1	C2	H3	90.0°	109.4°
C3	C1	C33	NaN°	109.5°
C1	C3	H7	90.0°	109.5°
C1	C3	H8	90.0°	109.5°
C1	C3	H9	90.0°	109.5°
C1	C33	H22	90.0°	109.4°
C1	C33	H24	90.0°	109.5°
C1	C33	H35	90.0°	109.5°
H1	C2	H2	90.0°	109.5°
H1	C2	H3	90.0°	109.4°
H2	C2	H3	90.0°	109.5°
H7	C3	H8	90.0°	109.5°
H7	C3	H9	90.0°	109.5°
H8	C3	H9	90.0°	109.5°
H22	C33	H24	90.0°	109.5°
H22	C33	H35	90.0°	109.4°
H24	C33	H35	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N	C4	H10	180.0°	180.0°
C1	N	C4	O	11.9°	0.2°
C1	N	C4	N1	167.5°	180.0°
N	C1	C2	C3	90.0°	120.0°
N	C1	C2	C33	90.0°	120.0°
N	C1	C3	C33	90.0°	120.0°
N	C1	C2	H1	90.0°	60.0°
N	C1	C2	H2	90.0°	180.0°
N	C1	C2	H3	90.0°	60.0°
N	C1	C3	H7	90.0°	60.0°
N	C1	C3	H8	90.0°	180.0°
N	C1	C3	H9	90.0°	60.0°
N	C1	C33	H22	90.0°	59.9°
N	C1	C33	H24	90.0°	180.0°
N	C1	C33	H35	90.0°	60.0°
N	C4	O	N1	179.4°	179.8°
N	C4	N1	C5	19.2°	180.0°
N	C4	N1	H11	160.8°	0.0°
C4	N	C1	C2	110.1°	60.0°
C4	N	C1	C3	110.1°	180.0°
C4	N	C1	C33	110.1°	60.0°
O	C4	N1	C5	161.3°	0.2°
O	C4	N	H10	168.1°	179.7°
O	C4	N1	H11	18.7°	179.8°
C4	N1	C5	H11	180.0°	180.0°
C4	N1	C5	C32	71.4°	155.0°
C4	N1	C5	C6	165.3°	85.0°
N1	C4	N	H10	12.5°	0.0°
C4	N1	C5	H12	47.2°	35.0°
N1	C5	C32	C6	123.9°	119.9°
N1	C5	C32	H12	119.0°	120.0°
N1	C5	C6	H12	118.5°	120.0°
N1	C5	C32	C31	179.0°	178.6°
N1	C5	C6	C7	179.7°	178.7°
N1	C5	C32	H41	58.9°	61.4°
N1	C5	C32	H40	60.9°	58.7°
N1	C5	C6	H14	60.2°	58.7°
N1	C5	C6	H13	59.6°	61.4°
C32	C5	C6	H12	117.1°	120.1°
C5	C32	C31	H41	120.1°	120.0°
C5	C32	C31	H40	120.1°	119.9°
C32	C5	C6	C7	55.9°	61.4°
C5	C32	C31	N2	57.7°	54.6°
C5	C32	C31	H39	62.5°	65.1°
C5	C32	C31	H38	177.9°	174.5°
C5	C32	H41	H40	119.7°	120.1°
C32	C5	C6	H14	64.2°	178.7°
C32	C5	C6	H13	176.0°	58.5°
C32	C5	N1	H11	108.6°	25.0°
C6	C5	C32	C31	57.0°	61.4°
C5	C6	C7	H14	120.1°	119.9°
C5	C6	C7	H13	120.1°	120.0°
C5	C6	C7	N2	55.7°	54.6°
C5	C6	C7	H16	176.0°	174.5°
C5	C6	C7	H15	64.6°	65.2°
C6	C5	C32	H41	177.1°	58.6°
C6	C5	C32	H40	63.1°	178.7°
C5	C6	H14	H13	119.6°	120.1°
C6	C5	N1	H11	14.6°	95.0°
C32	C31	N2	H39	120.2°	119.7°
C32	C31	N2	H38	120.2°	119.9°
C32	C31	N2	C7	57.5°	53.6°
C32	C31	N2	C8	125.7°	126.4°
C32	C31	H39	H38	119.4°	120.5°
C31	C32	H41	H40	119.6°	120.0°
C31	C32	C5	H12	60.1°	58.6°
C6	C7	N2	C31	56.7°	53.6°
C6	C7	N2	H16	120.3°	119.8°
C6	C7	N2	H15	120.3°	119.9°
C6	C7	N2	C8	126.3°	126.4°
C6	C7	H16	H15	119.1°	120.4°
C7	C6	C5	H12	61.2°	58.7°
C7	C6	H14	H13	119.6°	120.1°
C31	N2	C7	C8	177.0°	180.0°
C31	N2	C8	C9	5.6°	5.4°
C31	N2	C8	O1	175.7°	174.7°
C31	N2	C7	H16	177.0°	173.4°
C31	N2	C7	H15	63.6°	66.3°
N2	C31	H39	H38	119.4°	120.3°
N2	C31	C32	H41	177.8°	65.4°
N2	C31	C32	H40	62.4°	174.6°
C12	C13	C14	H20	180.0°	179.7°
C13	C12	C11	H19	180.0°	179.9°
C12	C13	C14	C15	0.5°	0.3°
C13	C12	C11	C10	177.5°	180.0°
C13	C12	C11	C17	1.8°	0.0°
C12	C13	C14	H21	179.5°	179.8°
C14	C13	C12	C11	1.3°	0.3°
C13	C14	C15	H21	180.0°	179.9°
C13	C14	C15	C17	1.7°	0.0°
C13	C14	C15	C16	174.7°	180.0°
C14	C13	C12	H19	178.7°	179.8°
C7	N2	C8	C9	170.9°	174.6°
C7	N2	C8	O1	7.8°	5.3°
N2	C7	H16	H15	119.1°	120.3°
C7	N2	C31	H39	62.7°	66.2°
C7	N2	C31	H38	177.7°	173.5°
N2	C7	C6	H14	64.4°	174.6°
N2	C7	C6	H13	175.8°	65.3°
C12	C11	C10	C17	179.3°	180.0°
C12	C11	C10	C9	90.0°	90.0°
C12	C11	C17	C15	0.6°	0.3°
C12	C11	C10	H17	149.1°	150.0°
C12	C11	C10	H18	30.9°	29.9°
C12	C11	C17	H25	179.4°	180.0°
C11	C12	C13	H20	178.7°	180.0°
N2	C8	C9	C10	79.1°	84.9°
N2	C8	C9	O1	178.7°	179.9°
N2	C8	C9	N5	157.1°	155.1°
C8	N2	C7	H16	6.0°	6.6°
C8	N2	C7	H15	113.4°	113.7°
N2	C8	C9	H	38.0°	35.1°
C8	N2	C31	H39	114.1°	113.8°
C8	N2	C31	H38	5.5°	6.5°
C14	C15	C17	C11	1.2°	0.3°
C14	C15	C17	C16	176.3°	180.0°
C14	C15	C16	N3	1.7°	0.0°
C14	C15	C16	N4	178.1°	180.0°
C14	C15	C17	H25	178.8°	180.0°
C15	C14	C13	H20	179.5°	180.0°
C11	C10	C9	H17	120.9°	120.0°
C11	C10	C9	H18	120.9°	119.9°
C11	C10	C9	C8	33.1°	178.9°
C10	C11	C17	C15	178.7°	179.7°
C11	C10	C9	N5	89.5°	58.8°
C11	C10	H17	H18	117.2°	120.0°
C10	C11	C17	H25	1.3°	0.0°
C10	C11	C12	H19	2.5°	0.1°
C11	C10	C9	H	150.4°	61.1°
C17	C11	C10	C9	89.2°	90.0°
C11	C17	C15	H25	180.0°	179.7°
C11	C17	C15	C16	175.2°	179.8°
C17	C11	C10	H17	31.7°	30.0°
C17	C11	C10	H18	149.9°	150.0°
C17	C11	C12	H19	178.2°	179.9°
C10	C9	C8	N5	123.8°	120.0°
C10	C9	C8	H	117.1°	120.0°
C10	C9	C8	O1	99.6°	95.2°
C10	C9	N5	H	119.6°	119.9°
C10	C9	N5	S	141.5°	95.0°
C9	C10	H17	H18	117.2°	120.0°
C10	C9	N5	H26	97.2°	85.0°
C8	C9	N5	H	118.6°	120.1°
C8	C9	N5	S	96.7°	145.0°
C8	C9	C10	H17	154.0°	61.1°
C8	C9	C10	H18	87.7°	58.9°
C8	C9	N5	H26	24.6°	35.0°
O1	C8	C9	N5	24.2°	24.8°
O1	C8	C9	H	143.2°	144.9°
C17	C15	C16	N3	178.0°	180.0°
C17	C15	C16	N4	1.8°	0.0°
C17	C15	C14	H21	178.3°	179.9°
C15	C16	N3	N4	179.8°	180.0°
C16	C15	C17	H25	4.8°	0.0°
C16	C15	C14	H21	5.3°	0.0°
C15	C16	N3	H6	179.8°	179.9°
C15	C16	N3	H5	0.2°	0.0°
C15	C16	N4	H23	179.8°	179.9°
C9	N5	S	H26	121.2°	180.0°
C9	N5	S	C18	56.8°	65.0°
C9	N5	S	O3	57.4°	178.5°
C9	N5	S	O2	174.3°	48.6°
N5	C9	C10	H17	31.4°	178.9°
N5	C9	C10	H18	149.7°	61.1°
C16	N3	H6	H5	180.0°	179.9°
N3	C16	N4	H23	0.0°	0.1°
C19	C20	C21	H28	180.0°	179.7°
C20	C19	C18	H27	180.0°	180.0°
C19	C20	C21	C22	1.7°	0.0°
C20	C19	C18	C30	0.6°	0.0°
C20	C19	C18	S	179.8°	180.0°
C19	C20	C21	H29	178.3°	180.0°
C21	C20	C19	C18	1.4°	0.0°
C20	C21	C22	H29	180.0°	180.0°
C20	C21	C22	C30	1.2°	0.0°
C20	C21	C22	C23	179.2°	179.9°
C21	C20	C19	H27	178.6°	180.0°
N4	C16	N3	H6	0.0°	0.1°
N4	C16	N3	H5	180.0°	180.0°
C19	C18	S	N5	105.4°	90.0°
C19	C18	C30	S	179.2°	179.9°
C19	C18	S	O3	7.1°	23.5°
C19	C18	C30	C22	0.1°	0.1°
C19	C18	S	O2	137.7°	156.5°
C18	C19	C20	H28	178.6°	179.7°
C19	C18	C30	H37	179.9°	179.9°
C21	C22	C23	C24	41.9°	180.0°
C21	C22	C30	C18	0.4°	0.0°
C21	C22	C30	C23	179.6°	179.9°
C21	C22	C23	C29	136.0°	0.1°
C22	C21	C20	H28	178.3°	179.7°
C21	C22	C30	H37	179.6°	180.0°
N5	S	C18	C30	73.9°	90.0°
N5	S	C18	O3	112.4°	113.5°
N5	S	C18	O2	116.9°	113.5°
N5	S	O3	O2	121.4°	122.9°
S	N5	C9	H	21.9°	24.9°
C25	C24	C23	H30	180.0°	179.8°
C25	C24	C23	C22	177.8°	179.9°
C24	C25	C26	H31	180.0°	180.0°
C25	C24	C23	C29	0.2°	0.0°
C24	C25	C26	C27	0.8°	0.0°
C24	C25	C26	H32	179.2°	180.0°
C24	C23	C22	C30	137.7°	0.1°
C24	C23	C22	C29	177.9°	179.9°
C23	C24	C25	C26	0.7°	0.0°
C24	C23	C29	C27	0.2°	0.0°
C23	C24	C25	H31	179.3°	180.0°
C24	C23	C29	H36	179.8°	180.0°
C30	C18	S	O3	173.7°	156.4°
C18	C30	C22	H37	180.0°	180.0°
C18	C30	C22	C23	180.0°	180.0°
C30	C18	S	O2	43.1°	23.5°
C30	C18	C19	H27	179.4°	180.0°
C18	S	O3	O2	124.8°	123.0°
S	C18	C30	C22	179.3°	180.0°
S	C18	C19	H27	0.2°	0.0°
C18	S	N5	H26	64.5°	115.0°
S	C18	C30	H37	0.7°	0.0°
O3	S	N5	H26	178.6°	1.4°
C30	C22	C23	C29	44.4°	180.0°
C30	C22	C21	H29	178.9°	180.0°
C22	C23	C29	C27	178.1°	179.9°
C23	C22	C21	H29	0.8°	0.1°
C22	C23	C24	H30	2.2°	0.2°
C22	C23	C29	H36	1.9°	0.0°
C23	C22	C30	H37	0.0°	0.1°
C25	C26	C27	H32	180.0°	180.0°
C25	C26	C27	C29	0.5°	0.0°
C25	C26	C27	C28	179.5°	180.0°
C26	C25	C24	H30	179.3°	179.7°
O2	S	N5	H26	53.0°	131.5°
C23	C29	C27	C26	0.0°	0.0°
C23	C29	C27	H36	180.0°	179.9°
C23	C29	C27	C28	180.0°	180.0°
C29	C23	C24	H30	179.8°	179.7°
C26	C27	C29	C28	180.0°	180.0°
C26	C27	C28	N6	9.1°	0.1°
C26	C27	C28	N7	171.2°	180.0°
C27	C26	C25	H31	179.2°	180.0°
C26	C27	C29	H36	180.0°	180.0°
C29	C27	C28	N6	170.9°	180.0°
C29	C27	C28	N7	8.8°	0.0°
C29	C27	C26	H32	179.5°	179.9°
C27	C28	N6	N7	179.7°	180.0°
C28	C27	C26	H32	0.5°	0.0°
C28	C27	C29	H36	0.0°	0.1°
C27	C28	N6	H4	179.8°	0.1°
C27	C28	N6	H33	0.3°	180.0°
C27	C28	N7	H34	179.7°	180.0°
C28	N6	H4	H33	180.0°	179.9°
N6	C28	N7	H34	0.0°	0.1°
N7	C28	N6	H4	0.0°	179.9°
N7	C28	N6	H33	180.0°	0.1°
H16	C7	C6	H14	55.9°	65.6°
H16	C7	C6	H13	63.9°	54.5°
H15	C7	C6	H14	175.2°	54.7°
H15	C7	C6	H13	55.5°	174.8°
H17	C10	C9	H	88.7°	58.9°
H18	C10	C9	H	29.5°	178.9°
H28	C20	C21	H29	1.7°	0.3°
H28	C20	C19	H27	1.4°	0.3°
H30	C24	C25	H31	0.7°	0.3°
H32	C26	C25	H31	0.8°	0.0°
H19	C12	C13	H20	1.3°	0.1°
H	C9	N5	H26	143.2°	155.1°
H39	C31	C32	H41	57.6°	174.9°
H39	C31	C32	H40	177.4°	54.9°
H38	C31	C32	H41	62.0°	54.5°
H38	C31	C32	H40	57.8°	65.5°
H21	C14	C13	H20	0.5°	0.1°
H10	N	C1	C2	69.9°	120.0°
H10	N	C1	C3	69.9°	0.0°
H10	N	C1	C33	69.9°	120.0°
H41	C32	C5	H12	60.0°	178.6°
H40	C32	C5	H12	179.8°	61.3°
H12	C5	C6	H14	178.7°	61.3°
H12	C5	C6	H13	58.9°	178.6°
H12	C5	N1	H11	132.8°	145.0°
C2	C1	C3	C33	90.0°	120.0°
C1	C2	H1	H2	90.0°	120.1°
C1	C2	H1	H3	90.0°	120.0°
C1	C2	H2	H3	90.0°	120.0°
C2	C1	C3	H7	90.0°	180.0°
C2	C1	C3	H8	90.0°	60.0°
C2	C1	C3	H9	90.0°	60.0°
C2	C1	C33	H22	90.0°	60.1°
C2	C1	C33	H24	90.0°	60.0°
C2	C1	C33	H35	90.0°	180.0°
C3	C1	C2	H1	90.0°	60.0°
C3	C1	C2	H2	90.0°	60.0°
C3	C1	C2	H3	90.0°	180.0°
C1	C3	H7	H8	90.0°	120.0°
C1	C3	H7	H9	90.0°	120.0°
C1	C3	H8	H9	90.0°	120.0°
C3	C1	C33	H22	90.0°	179.9°
C3	C1	C33	H24	90.0°	60.0°
C3	C1	C33	H35	90.0°	60.0°
C33	C1	C2	H1	90.0°	180.0°
C33	C1	C2	H2	90.0°	59.9°
C33	C1	C2	H3	90.0°	60.1°
C33	C1	C3	H7	90.0°	60.0°
C33	C1	C3	H8	90.0°	60.0°
C33	C1	C3	H9	90.0°	180.0°
C1	C33	H22	H24	90.0°	120.1°
C1	C33	H22	H35	90.0°	119.9°
C1	C33	H24	H35	90.0°	120.0°
H1	C2	H2	H3	90.0°	119.9°
H7	C3	H8	H9	90.0°	120.0°
H22	C33	H24	H35	90.0°	120.0°

Release date:	2020-11-18
Definition date:	2019-10-29
Last modified:	2020-11-13
Release status:	REL
Processing site:	EBI
Derived from:	6T9U