VXT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C28	C29	sing	1.53Å	1.52Å
C28	C27	sing	1.53Å	1.51Å
C29	C30	sing	1.53Å	1.53Å
C26	C27	sing	1.53Å	1.50Å
C26	C1	sing	1.53Å	1.52Å
C1	N1	sing	1.47Å	1.46Å
C17	N1	sing	1.48Å	1.47Å
C17	C18	sing	1.55Å	1.52Å
N1	C20	sing	1.48Å	1.51Å
O34	C18	sing	1.43Å	1.42Å
O33	C19	sing	1.43Å	1.43Å
C18	C19	sing	1.55Å	1.53Å
C31	C20	sing	1.53Å	1.52Å
C31	O32	sing	1.43Å	1.42Å
C20	C19	sing	1.54Å	1.55Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C19	H7	sing	1.09Å	1.10Å
C20	H8	sing	1.09Å	1.10Å
C26	H9	sing	1.09Å	1.10Å
C26	H10	sing	1.09Å	1.10Å
C27	H11	sing	1.09Å	1.10Å
C27	H12	sing	1.09Å	1.10Å
C28	H13	sing	1.09Å	1.10Å
C28	H14	sing	1.09Å	1.10Å
C29	H15	sing	1.09Å	1.10Å
C29	H16	sing	1.09Å	1.10Å
C30	H19	sing	1.09Å	1.10Å
C31	H20	sing	1.09Å	1.10Å
C31	H21	sing	1.09Å	1.10Å
O32	H22	sing	0.97Å	0.95Å
O33	H23	sing	0.97Å	0.95Å
O34	H24	sing	0.97Å	0.95Å
C30	N2	sing	1.47Å	35.75Å
N2	N3	sing	1.29Å	0.00Å	Aromatic
N3	N4	doub	1.29Å	0.00Å	Aromatic
N4	C5	sing	1.34Å	0.00Å	Aromatic
C5	C6	doub	1.35Å	0.00Å	Aromatic
C6	N2	sing	1.35Å	0.00Å	Aromatic
C6	C2	sing	1.51Å	0.00Å
C2	O1	sing	1.43Å	0.00Å
C3	C61	sing	1.53Å	0.00Å
N6	N7	sing	1.29Å	0.00Å	Aromatic
N7	N8	doub	1.29Å	0.00Å	Aromatic
N8	C39	sing	1.34Å	0.00Å	Aromatic
C39	C11	doub	1.35Å	0.00Å	Aromatic
C11	N6	sing	1.35Å	0.00Å	Aromatic
C12	C13	sing	1.53Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C15	C16	sing	1.53Å	0.00Å
C16	C21	sing	1.53Å	0.00Å
C21	N5	sing	1.47Å	0.00Å
N5	C23	sing	1.48Å	0.00Å
C23	C24	sing	1.55Å	0.00Å
C24	C25	sing	1.55Å	0.00Å
C25	C32	sing	1.54Å	0.00Å
C32	N5	sing	1.48Å	0.00Å
C32	C22	sing	1.53Å	0.00Å
C22	O3	sing	1.43Å	0.00Å
C25	O4	sing	1.43Å	0.00Å
C24	O5	sing	1.43Å	0.00Å
O6	C33	sing	1.43Å	0.00Å
N9	N10	sing	1.29Å	0.00Å	Aromatic
N10	N11	doub	1.29Å	0.00Å	Aromatic
N11	C36	sing	1.34Å	0.00Å	Aromatic
C36	C37	doub	1.35Å	0.00Å	Aromatic
C37	N9	sing	1.35Å	0.00Å	Aromatic
C4	C8	sing	1.53Å	0.00Å
C8	C10	sing	1.53Å	0.00Å
C10	C34	sing	1.53Å	0.00Å
C34	C35	sing	1.53Å	0.00Å
C35	C38	sing	1.53Å	0.00Å
C38	N12	sing	1.47Å	0.00Å
N12	C41	sing	1.49Å	0.00Å
C41	C42	sing	1.55Å	0.00Å
C42	C43	sing	1.55Å	0.00Å
C43	C44	sing	1.54Å	0.00Å
C44	N12	sing	1.48Å	0.00Å
C44	C40	sing	1.53Å	0.00Å
C40	O7	sing	1.43Å	0.00Å
C43	O8	sing	1.43Å	0.00Å
C42	O9	sing	1.43Å	0.00Å
O10	C45	sing	1.43Å	0.00Å
N13	N14	doub	1.29Å	0.00Å	Aromatic
N14	N15	sing	1.29Å	0.00Å	Aromatic
N15	C48	sing	1.35Å	0.00Å	Aromatic
C48	C49	doub	1.35Å	0.00Å	Aromatic
C49	N13	sing	1.34Å	0.00Å	Aromatic
C7	C46	sing	1.53Å	0.00Å
C46	C47	sing	1.53Å	0.00Å
C47	C50	sing	1.53Å	0.00Å
C50	C51	sing	1.53Å	0.00Å
C51	C52	sing	1.53Å	0.00Å
C52	N16	sing	1.47Å	0.00Å
N16	C54	sing	1.49Å	0.00Å
C54	C55	sing	1.54Å	0.00Å
C55	C56	sing	1.54Å	0.00Å
C56	C57	sing	1.54Å	0.00Å
C57	N16	sing	1.49Å	0.00Å
C54	C53	sing	1.53Å	0.00Å
C53	O11	sing	1.43Å	0.00Å
C55	O12	sing	1.43Å	0.00Å
C56	O13	sing	1.43Å	0.00Å
C30	H3	sing	1.09Å	1.10Å
C2	H28	sing	1.09Å	0.00Å
C2	H29	sing	1.09Å	0.00Å
C9	H30	sing	1.09Å	0.00Å
C9	H31	sing	1.09Å	0.00Å
C12	H37	sing	1.09Å	0.00Å
C12	H38	sing	1.09Å	0.00Å
C13	H39	sing	1.09Å	0.00Å
C13	H40	sing	1.09Å	0.00Å
C14	H41	sing	1.09Å	0.00Å
C14	H42	sing	1.09Å	0.00Å
C15	H43	sing	1.09Å	0.00Å
C15	H44	sing	1.09Å	0.00Å
C16	H45	sing	1.09Å	0.00Å
C16	H46	sing	1.09Å	0.00Å
C21	H47	sing	1.09Å	0.00Å
C21	H48	sing	1.09Å	0.00Å
C23	H49	sing	1.09Å	0.00Å
C23	H50	sing	1.09Å	0.00Å
C24	H51	sing	1.09Å	0.00Å
C25	H52	sing	1.09Å	0.00Å
C32	H53	sing	1.09Å	0.00Å
C22	H54	sing	1.09Å	0.00Å
C22	H55	sing	1.09Å	0.00Å
O3	H56	sing	0.97Å	0.00Å
O4	H57	sing	0.97Å	0.00Å
O5	H58	sing	0.97Å	0.00Å
C33	H59	sing	1.09Å	0.00Å
C33	H60	sing	1.09Å	0.00Å
C4	H66	sing	1.09Å	0.00Å
C4	H67	sing	1.09Å	0.00Å
C8	H68	sing	1.09Å	0.00Å
C8	H69	sing	1.09Å	0.00Å
C10	H70	sing	1.09Å	0.00Å
C10	H71	sing	1.09Å	0.00Å
C34	H72	sing	1.09Å	0.00Å
C34	H73	sing	1.09Å	0.00Å
C35	H74	sing	1.09Å	0.00Å
C35	H75	sing	1.09Å	0.00Å
C38	H76	sing	1.09Å	0.00Å
C38	H77	sing	1.09Å	0.00Å
C41	H78	sing	1.09Å	0.00Å
C41	H79	sing	1.09Å	0.00Å
C42	H80	sing	1.09Å	0.00Å
C43	H81	sing	1.09Å	0.00Å
C44	H82	sing	1.09Å	0.00Å
C40	H83	sing	1.09Å	0.00Å
C40	H84	sing	1.09Å	0.00Å
O7	H85	sing	0.97Å	0.00Å
O8	H86	sing	0.97Å	0.00Å
O9	H87	sing	0.97Å	0.00Å
C45	H88	sing	1.09Å	0.00Å
C45	H89	sing	1.09Å	0.00Å
C7	H95	sing	1.09Å	0.00Å
C7	H96	sing	1.09Å	0.00Å
C46	H97	sing	1.09Å	0.00Å
C46	H98	sing	1.09Å	0.00Å
C47	H99	sing	1.09Å	0.00Å
C47	H100	sing	1.09Å	0.00Å
C50	H101	sing	1.09Å	0.00Å
C50	H102	sing	1.09Å	0.00Å
C51	H103	sing	1.09Å	0.00Å
C51	H104	sing	1.09Å	0.00Å
C52	H105	sing	1.09Å	0.00Å
C52	H106	sing	1.09Å	0.00Å
C54	H107	sing	1.09Å	0.00Å
C55	H108	sing	1.09Å	0.00Å
C56	H109	sing	1.09Å	0.00Å
C57	H110	sing	1.09Å	0.00Å
C57	H111	sing	1.09Å	0.00Å
C53	H112	sing	1.09Å	0.00Å
C53	H113	sing	1.09Å	0.00Å
O11	H114	sing	0.97Å	0.00Å
O12	H115	sing	0.97Å	0.00Å
O13	H116	sing	0.97Å	0.00Å
C36	C33	sing	1.51Å	0.00Å
C5	H25	sing	1.08Å	0.00Å
C39	C9	sing	1.51Å	0.00Å
C49	C45	sing	1.51Å	0.00Å
O6	C58	sing	1.43Å	0.00Å
O10	C59	sing	1.43Å	0.00Å
O1	C60	sing	1.43Å	0.00Å
C9	O14	sing	1.43Å	0.00Å
C3	C58	sing	1.53Å	0.00Å
C3	C60	sing	1.53Å	0.00Å
C3	C59	sing	1.53Å	0.00Å
C61	O14	sing	1.43Å	0.00Å
C61	H61	sing	1.09Å	0.00Å
C61	H62	sing	1.09Å	0.00Å
C58	H63	sing	1.09Å	0.00Å
C58	H64	sing	1.09Å	0.00Å
C59	H65	sing	1.09Å	0.00Å
C59	H92	sing	1.09Å	0.00Å
C60	H93	sing	1.09Å	0.00Å
C60	H94	sing	1.09Å	0.00Å
N9	C4	sing	1.47Å	0.00Å
C7	N15	sing	1.46Å	0.00Å
N6	C12	sing	1.47Å	0.00Å
C11	H17	sing	1.08Å	0.00Å
C37	H18	sing	1.08Å	0.00Å
C48	H26	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C29	C28	C27	114.5°	109.5°
C28	C29	C30	113.3°	109.4°
C29	C28	H13	108.2°	109.5°
C29	C28	H14	108.2°	109.5°
C28	C29	H15	108.5°	109.5°
C28	C29	H16	108.5°	109.5°
C28	C27	C26	114.3°	109.5°
C28	C27	H11	108.2°	109.5°
C28	C27	H12	108.2°	109.4°
C27	C28	H13	108.2°	109.4°
C27	C28	H14	108.2°	109.5°
C30	C29	H15	108.5°	109.5°
C30	C29	H16	108.5°	109.5°
C29	C30	H19	119.2°	109.4°
C29	C30	N2	64.5°	109.5°
C29	C30	H3	119.2°	109.5°
C27	C26	C1	113.7°	109.5°
C27	C26	H9	108.4°	109.4°
C27	C26	H10	108.4°	109.5°
C26	C27	H11	108.3°	109.5°
C26	C27	H12	108.3°	109.5°
C26	C1	N1	114.7°	109.5°
C26	C1	H1	108.1°	109.5°
C26	C1	H2	108.1°	109.5°
C1	C26	H9	108.4°	109.5°
C1	C26	H10	108.4°	109.5°
C1	N1	C17	116.6°	111.0°
C1	N1	C20	118.2°	111.0°
N1	C1	H1	108.2°	109.5°
N1	C1	H2	108.1°	109.5°
N1	C17	C18	101.5°	104.8°
C17	N1	C20	108.9°	108.5°
N1	C17	H4	111.4°	110.4°
N1	C17	H5	111.4°	110.4°
C17	C18	O34	115.7°	111.0°
C17	C18	C19	101.1°	101.6°
C18	C17	H4	111.4°	110.3°
C18	C17	H5	111.4°	110.3°
C17	C18	H6	108.1°	111.0°
N1	C20	C31	116.7°	109.8°
N1	C20	C19	103.1°	107.2°
N1	C20	H8	107.6°	109.9°
O34	C18	C19	113.8°	111.0°
O34	C18	H6	109.5°	110.9°
C18	O34	H24	109.5°	114.0°
O33	C19	C18	113.7°	110.7°
O33	C19	C20	115.9°	110.9°
O33	C19	H7	108.6°	110.6°
C19	O33	H23	109.5°	114.0°
C18	C19	C20	104.0°	103.0°
C19	C18	H6	108.0°	111.0°
C18	C19	H7	107.2°	110.7°
C20	C31	O32	114.4°	109.5°
C31	C20	C19	114.3°	109.9°
C31	C20	H8	107.5°	110.0°
C20	C31	H20	108.2°	109.4°
C20	C31	H21	108.2°	109.5°
O32	C31	H20	108.2°	109.4°
O32	C31	H21	108.2°	109.5°
C31	O32	H22	109.5°	114.0°
C20	C19	H7	106.9°	110.7°
C19	C20	H8	107.1°	109.9°
H1	C1	H2	109.5°	109.5°
H4	C17	H5	109.5°	110.4°
H9	C26	H10	109.5°	109.5°
H11	C27	H12	109.5°	109.4°
H13	C28	H14	109.5°	109.5°
H15	C29	H16	109.4°	109.5°
H19	C30	N2	119.2°	109.4°
H19	C30	H3	109.5°	109.5°
H20	C31	H21	109.5°	109.5°
C30	N2	N3	90.0°	125.8°
C30	N2	C6	90.0°	125.9°
N2	C30	H3	119.2°	109.5°
N2	N3	N4	90.0°	110.1°
N3	N2	C6	90.0°	108.3°
N3	N4	C5	90.0°	108.9°
N4	C5	C6	90.0°	106.5°
N4	C5	H25	90.0°	126.7°
C5	C6	N2	90.0°	106.2°
C5	C6	C2	90.0°	126.9°
C6	C5	H25	90.0°	126.7°
N2	C6	C2	90.0°	126.9°
C6	C2	O1	90.0°	109.5°
C6	C2	H28	90.0°	109.4°
C6	C2	H29	90.0°	109.5°
O1	C2	H28	90.0°	109.5°
O1	C2	H29	90.0°	109.5°
C2	O1	C60	90.0°	114.0°
C61	C3	C58	90.0°	109.5°
C61	C3	C60	90.0°	109.5°
C61	C3	C59	90.0°	109.4°
C3	C61	O14	90.0°	109.5°
C3	C61	H61	90.0°	109.5°
C3	C61	H62	90.0°	109.5°
N6	N7	N8	90.0°	110.1°
N7	N6	C11	90.0°	108.3°
N7	N6	C12	90.0°	125.8°
N7	N8	C39	90.0°	108.9°
N8	C39	C11	90.0°	106.5°
N8	C39	C9	90.0°	126.7°
C39	C11	N6	90.0°	106.2°
C11	C39	C9	90.0°	126.8°
C39	C11	H17	90.0°	126.9°
C11	N6	C12	90.0°	125.9°
N6	C11	H17	90.0°	126.9°
C12	C13	C14	90.0°	109.5°
C13	C12	H37	90.0°	109.5°
C13	C12	H38	90.0°	109.5°
C12	C13	H39	90.0°	109.5°
C12	C13	H40	90.0°	109.4°
C13	C12	N6	90.0°	109.5°
C13	C14	C15	90.0°	109.4°
C14	C13	H39	90.0°	109.5°
C14	C13	H40	90.0°	109.4°
C13	C14	H41	90.0°	109.5°
C13	C14	H42	90.0°	109.4°
C14	C15	C16	90.0°	109.4°
C15	C14	H41	90.0°	109.5°
C15	C14	H42	90.0°	109.4°
C14	C15	H43	90.0°	109.5°
C14	C15	H44	90.0°	109.5°
C15	C16	C21	90.0°	109.5°
C16	C15	H43	90.0°	109.4°
C16	C15	H44	90.0°	109.5°
C15	C16	H45	90.0°	109.5°
C15	C16	H46	90.0°	109.5°
C16	C21	N5	90.0°	109.5°
C21	C16	H45	90.0°	109.4°
C21	C16	H46	90.0°	109.5°
C16	C21	H47	90.0°	109.5°
C16	C21	H48	90.0°	109.4°
C21	N5	C23	90.0°	111.0°
C21	N5	C32	90.0°	111.0°
N5	C21	H47	90.0°	109.5°
N5	C21	H48	90.0°	109.5°
N5	C23	C24	90.0°	103.3°
C23	N5	C32	90.0°	105.9°
N5	C23	H49	90.0°	110.6°
N5	C23	H50	90.0°	110.7°
C23	C24	C25	90.0°	102.9°
C23	C24	O5	90.0°	110.7°
C24	C23	H49	90.0°	110.7°
C24	C23	H50	90.0°	110.6°
C23	C24	H51	90.0°	110.7°
C24	C25	C32	90.0°	105.2°
C24	C25	O4	90.0°	110.3°
C25	C24	O5	90.0°	110.8°
C25	C24	H51	90.0°	110.7°
C24	C25	H52	90.0°	110.3°
C25	C32	N5	90.0°	107.0°
C25	C32	C22	90.0°	109.9°
C32	C25	O4	90.0°	110.3°
C32	C25	H52	90.0°	110.3°
C25	C32	H53	90.0°	109.9°
N5	C32	C22	90.0°	110.0°
N5	C32	H53	90.0°	109.9°
C32	C22	O3	90.0°	109.5°
C22	C32	H53	90.0°	110.1°
C32	C22	H54	90.0°	109.4°
C32	C22	H55	90.0°	109.5°
O3	C22	H54	90.0°	109.5°
O3	C22	H55	90.0°	109.5°
C22	O3	H56	90.0°	114.0°
O4	C25	H52	90.0°	110.3°
C25	O4	H57	90.0°	114.1°
O5	C24	H51	90.0°	110.8°
C24	O5	H58	90.0°	114.0°
O6	C33	H59	90.0°	109.5°
O6	C33	H60	90.0°	109.5°
O6	C33	C36	90.0°	109.4°
C33	O6	C58	90.0°	113.9°
N9	N10	N11	90.0°	110.1°
N10	N9	C37	90.0°	108.3°
N10	N9	C4	90.0°	125.9°
N10	N11	C36	90.0°	108.9°
N11	C36	C37	90.0°	106.5°
N11	C36	C33	90.0°	126.7°
C36	C37	N9	90.0°	106.2°
C37	C36	C33	90.0°	126.7°
C36	C37	H18	90.0°	127.0°
C37	N9	C4	90.0°	125.9°
N9	C37	H18	90.0°	126.8°
C4	C8	C10	90.0°	109.4°
C8	C4	H66	90.0°	109.5°
C8	C4	H67	90.0°	109.5°
C4	C8	H68	90.0°	109.5°
C4	C8	H69	90.0°	109.4°
C8	C4	N9	90.0°	109.4°
C8	C10	C34	90.0°	109.5°
C10	C8	H68	90.0°	109.5°
C10	C8	H69	90.0°	109.5°
C8	C10	H70	90.0°	109.5°
C8	C10	H71	90.0°	109.5°
C10	C34	C35	90.0°	109.5°
C34	C10	H70	90.0°	109.4°
C34	C10	H71	90.0°	109.4°
C10	C34	H72	90.0°	109.4°
C10	C34	H73	90.0°	109.4°
C34	C35	C38	90.0°	109.4°
C35	C34	H72	90.0°	109.5°
C35	C34	H73	90.0°	109.5°
C34	C35	H74	90.0°	109.5°
C34	C35	H75	90.0°	109.4°
C35	C38	N12	90.0°	109.4°
C38	C35	H74	90.0°	109.5°
C38	C35	H75	90.0°	109.5°
C35	C38	H76	90.0°	109.5°
C35	C38	H77	90.0°	109.5°
C38	N12	C41	90.0°	111.0°
C38	N12	C44	90.0°	111.0°
N12	C38	H76	90.0°	109.5°
N12	C38	H77	90.0°	109.4°
N12	C41	C42	90.0°	103.2°
C41	N12	C44	90.0°	105.8°
N12	C41	H78	90.0°	110.7°
N12	C41	H79	90.0°	110.6°
C41	C42	C43	90.0°	102.9°
C41	C42	O9	90.0°	110.7°
C42	C41	H78	90.0°	110.7°
C42	C41	H79	90.0°	110.7°
C41	C42	H80	90.0°	110.7°
C42	C43	C44	90.0°	105.1°
C42	C43	O8	90.0°	110.3°
C43	C42	O9	90.0°	110.7°
C43	C42	H80	90.0°	110.7°
C42	C43	H81	90.0°	110.3°
C43	C44	N12	90.0°	107.1°
C43	C44	C40	90.0°	109.9°
C44	C43	O8	90.0°	110.3°
C44	C43	H81	90.0°	110.3°
C43	C44	H82	90.0°	109.9°
N12	C44	C40	90.0°	109.9°
N12	C44	H82	90.0°	109.9°
C44	C40	O7	90.0°	109.5°
C40	C44	H82	90.0°	110.1°
C44	C40	H83	90.0°	109.5°
C44	C40	H84	90.0°	109.5°
O7	C40	H83	90.0°	109.5°
O7	C40	H84	90.0°	109.5°
C40	O7	H85	90.0°	114.0°
O8	C43	H81	90.0°	110.3°
C43	O8	H86	90.0°	114.0°
O9	C42	H80	90.0°	110.8°
C42	O9	H87	90.0°	114.0°
O10	C45	H88	90.0°	109.5°
O10	C45	H89	90.0°	109.4°
O10	C45	C49	90.0°	109.4°
C45	O10	C59	90.0°	114.0°
N13	N14	N15	90.0°	110.2°
N14	N13	C49	90.0°	108.9°
N14	N15	C48	90.0°	108.2°
N14	N15	C7	90.0°	125.9°
N15	C48	C49	90.0°	106.2°
C48	N15	C7	90.0°	125.9°
N15	C48	H26	90.0°	126.9°
C48	C49	N13	90.0°	106.5°
C48	C49	C45	90.0°	126.8°
C49	C48	H26	90.0°	126.9°
N13	C49	C45	90.0°	126.7°
C7	C46	C47	90.0°	109.4°
C46	C7	H95	90.0°	109.5°
C46	C7	H96	90.0°	109.5°
C7	C46	H97	90.0°	109.5°
C7	C46	H98	90.0°	109.5°
C46	C7	N15	90.0°	109.4°
C46	C47	C50	90.0°	109.5°
C47	C46	H97	90.0°	109.5°
C47	C46	H98	90.0°	109.4°
C46	C47	H99	90.0°	109.4°
C46	C47	H100	90.0°	109.4°
C47	C50	C51	90.0°	109.5°
C50	C47	H99	90.0°	109.5°
C50	C47	H100	90.0°	109.5°
C47	C50	H101	90.0°	109.5°
C47	C50	H102	90.0°	109.5°
C50	C51	C52	90.0°	109.5°
C51	C50	H101	90.0°	109.5°
C51	C50	H102	90.0°	109.5°
C50	C51	H103	90.0°	109.5°
C50	C51	H104	90.0°	109.5°
C51	C52	N16	90.0°	109.5°
C52	C51	H103	90.0°	109.5°
C52	C51	H104	90.0°	109.4°
C51	C52	H105	90.0°	109.5°
C51	C52	H106	90.0°	109.4°
C52	N16	C54	90.0°	111.0°
C52	N16	C57	90.0°	111.0°
N16	C52	H105	90.0°	109.5°
N16	C52	H106	90.0°	109.5°
N16	C54	C55	90.0°	104.6°
C54	N16	C57	90.0°	104.2°
N16	C54	C53	90.0°	110.4°
N16	C54	H107	90.0°	110.4°
C54	C55	C56	90.0°	105.1°
C55	C54	C53	90.0°	110.4°
C54	C55	O12	90.0°	110.3°
C55	C54	H107	90.0°	110.4°
C54	C55	H108	90.0°	110.3°
C55	C56	C57	90.0°	105.0°
C56	C55	O12	90.0°	110.3°
C55	C56	O13	90.0°	110.3°
C56	C55	H108	90.0°	110.3°
C55	C56	H109	90.0°	110.3°
C56	C57	N16	90.0°	104.6°
C57	C56	O13	90.0°	110.3°
C57	C56	H109	90.0°	110.3°
C56	C57	H110	90.0°	110.4°
C56	C57	H111	90.0°	110.4°
N16	C57	H110	90.0°	110.4°
N16	C57	H111	90.0°	110.4°
C54	C53	O11	90.0°	109.5°
C53	C54	H107	90.0°	110.5°
C54	C53	H112	90.0°	109.4°
C54	C53	H113	90.0°	109.5°
O11	C53	H112	90.0°	109.5°
O11	C53	H113	90.0°	109.5°
C53	O11	H114	90.0°	114.0°
O12	C55	H108	90.0°	110.4°
C55	O12	H115	90.0°	114.0°
O13	C56	H109	90.0°	110.4°
C56	O13	H116	90.0°	114.0°
H28	C2	H29	90.0°	109.5°
H30	C9	H31	90.0°	109.5°
H30	C9	C39	90.0°	109.5°
H30	C9	O14	90.0°	109.4°
H31	C9	C39	90.0°	109.5°
H31	C9	O14	90.0°	109.5°
H37	C12	H38	90.0°	109.4°
H37	C12	N6	90.0°	109.5°
H38	C12	N6	90.0°	109.4°
H39	C13	H40	90.0°	109.5°
H41	C14	H42	90.0°	109.5°
H43	C15	H44	90.0°	109.5°
H45	C16	H46	90.0°	109.4°
H47	C21	H48	90.0°	109.4°
H49	C23	H50	90.0°	110.8°
H54	C22	H55	90.0°	109.5°
H59	C33	H60	90.0°	109.5°
H59	C33	C36	90.0°	109.4°
H60	C33	C36	90.0°	109.5°
H66	C4	H67	90.0°	109.5°
H66	C4	N9	90.0°	109.4°
H67	C4	N9	90.0°	109.4°
H68	C8	H69	90.0°	109.5°
H70	C10	H71	90.0°	109.4°
H72	C34	H73	90.0°	109.4°
H74	C35	H75	90.0°	109.5°
H76	C38	H77	90.0°	109.5°
H78	C41	H79	90.0°	110.8°
H83	C40	H84	90.0°	109.5°
H88	C45	H89	90.0°	109.5°
H88	C45	C49	90.0°	109.5°
H89	C45	C49	90.0°	109.5°
H95	C7	H96	90.0°	109.5°
H95	C7	N15	90.0°	109.5°
H96	C7	N15	90.0°	109.5°
H97	C46	H98	90.0°	109.5°
H99	C47	H100	90.0°	109.5°
H101	C50	H102	90.0°	109.5°
H103	C51	H104	90.0°	109.5°
H105	C52	H106	90.0°	109.4°
H110	C57	H111	90.0°	110.4°
H112	C53	H113	90.0°	109.5°
C39	C9	O14	90.0°	109.4°
O6	C58	C3	90.0°	109.4°
O6	C58	H63	90.0°	109.5°
O6	C58	H64	90.0°	109.5°
O10	C59	C3	90.0°	109.5°
O10	C59	H65	90.0°	109.4°
O10	C59	H92	90.0°	109.5°
O1	C60	C3	90.0°	109.5°
O1	C60	H93	90.0°	109.5°
O1	C60	H94	90.0°	109.5°
C9	O14	C61	90.0°	114.0°
C58	C3	C60	90.0°	109.5°
C58	C3	C59	90.0°	109.4°
C3	C58	H63	90.0°	109.5°
C3	C58	H64	90.0°	109.5°
C60	C3	C59	90.0°	109.5°
C3	C60	H93	90.0°	109.5°
C3	C60	H94	90.0°	109.4°
C3	C59	H65	90.0°	109.5°
C3	C59	H92	90.0°	109.5°
O14	C61	H61	90.0°	109.5°
O14	C61	H62	90.0°	109.5°
H61	C61	H62	90.0°	109.4°
H63	C58	H64	90.0°	109.4°
H65	C59	H92	90.0°	109.4°
H93	C60	H94	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C29	C28	C27	H13	120.7°	120.0°
C29	C28	C27	H14	120.7°	120.0°
C28	C29	C30	H15	120.6°	120.0°
C28	C29	C30	H16	120.6°	120.0°
C29	C28	C27	C26	117.4°	180.0°
C29	C28	C27	H11	3.3°	60.0°
C29	C28	C27	H12	121.9°	59.9°
C29	C28	H13	H14	117.7°	120.0°
C28	C29	H15	H16	118.3°	120.0°
C28	C29	C30	H19	95.0°	60.0°
C28	C29	C30	N2	154.3°	180.0°
C28	C29	C30	H3	43.7°	60.0°
C27	C28	C29	C30	26.0°	180.0°
C28	C27	C26	H11	120.7°	120.0°
C28	C27	C26	H12	120.7°	120.0°
C28	C27	C26	C1	132.4°	180.0°
C28	C27	C26	H9	11.8°	60.0°
C28	C27	C26	H10	106.9°	60.0°
C28	C27	H11	H12	117.8°	119.9°
C27	C28	H13	H14	117.7°	120.0°
C27	C28	C29	H15	146.6°	60.0°
C27	C28	C29	H16	94.6°	60.0°
C30	C29	C28	H13	146.7°	60.0°
C30	C29	C28	H14	94.7°	60.0°
C30	C29	H15	H16	118.2°	120.0°
C29	C30	H19	N2	75.4°	120.0°
C29	C30	H19	H3	142.3°	120.0°
C29	C30	N2	H3	110.6°	120.0°
C29	C30	N2	N3	90.0°	90.0°
C29	C30	N2	C6	90.0°	90.2°
C27	C26	C1	H9	120.6°	120.0°
C27	C26	C1	H10	120.6°	120.0°
C27	C26	C1	N1	129.7°	180.0°
C27	C26	C1	H1	8.9°	60.0°
C27	C26	C1	H2	109.5°	60.0°
C27	C26	H9	H10	118.1°	120.0°
C26	C27	H11	H12	117.8°	120.0°
C26	C27	C28	H13	121.9°	60.0°
C26	C27	C28	H14	3.4°	60.0°
C26	C1	N1	H1	120.8°	120.0°
C26	C1	N1	H2	120.7°	120.0°
C26	C1	N1	C17	77.7°	69.7°
C26	C1	N1	C20	149.6°	169.4°
C26	C1	H1	H2	117.6°	120.0°
C1	C26	H9	H10	118.1°	120.0°
C1	C26	C27	H11	106.9°	60.0°
C1	C26	C27	H12	11.7°	60.0°
C1	N1	C17	C20	136.8°	122.3°
C1	N1	C17	C18	171.8°	146.4°
C1	N1	C20	C31	19.6°	3.8°
C1	N1	C20	C19	145.8°	123.2°
N1	C1	H1	H2	117.6°	120.0°
C1	N1	C17	H4	53.1°	27.5°
C1	N1	C17	H5	69.5°	94.8°
C1	N1	C20	H8	101.2°	117.3°
N1	C1	C26	H9	109.7°	60.0°
N1	C1	C26	H10	9.1°	60.0°
N1	C17	C18	H4	118.7°	118.9°
N1	C17	C18	H5	118.7°	118.9°
N1	C17	C18	O34	169.2°	155.1°
N1	C17	C18	C19	45.8°	37.1°
C17	N1	C20	C31	116.4°	118.5°
C17	N1	C20	C19	9.8°	0.9°
C17	N1	C1	H1	161.6°	50.3°
C17	N1	C1	H2	43.1°	170.3°
N1	C17	H4	H5	123.7°	122.3°
N1	C17	C18	H6	67.6°	81.0°
C17	N1	C20	H8	122.8°	120.4°
C18	C17	N1	C20	35.0°	24.1°
C17	C18	O34	C19	116.5°	112.2°
C17	C18	O34	H6	122.4°	123.9°
C17	C18	C19	O33	86.8°	82.9°
C17	C18	C19	H6	113.4°	118.1°
C17	C18	C19	C20	40.2°	35.6°
C18	C17	H4	H5	123.7°	122.2°
C17	C18	C19	H7	153.2°	154.0°
C17	C18	O34	H24	180.0°	61.5°
N1	C20	C19	O33	106.3°	96.2°
N1	C20	C19	C18	19.2°	22.3°
N1	C20	C31	C19	120.4°	117.8°
N1	C20	C31	H8	120.8°	121.1°
N1	C20	C31	O32	143.5°	63.3°
N1	C20	C19	H8	113.3°	119.4°
C20	N1	C1	H1	28.9°	70.6°
C20	N1	C1	H2	89.6°	49.5°
C20	N1	C17	H4	83.7°	94.8°
C20	N1	C17	H5	153.7°	142.9°
N1	C20	C19	H7	132.5°	140.7°
N1	C20	C31	H20	22.8°	176.8°
N1	C20	C31	H21	95.8°	56.8°
O34	C18	C19	O33	37.9°	35.2°
O34	C18	C19	H6	121.9°	123.8°
O34	C18	C19	C20	164.9°	153.7°
O34	C18	C17	H4	50.5°	36.2°
O34	C18	C17	H5	72.1°	86.0°
O34	C18	C19	H7	82.1°	87.9°
O33	C19	C18	C20	126.9°	118.6°
O33	C19	C18	H7	120.0°	123.1°
O33	C19	C20	C31	21.4°	23.2°
O33	C19	C20	H7	121.2°	123.1°
O33	C19	C18	H6	159.8°	159.0°
O33	C19	C20	H8	140.4°	144.4°
C18	C19	C20	C31	146.9°	141.7°
C18	C19	C20	H7	113.3°	118.4°
C19	C18	C17	H4	72.9°	81.8°
C19	C18	C17	H5	164.4°	155.9°
C18	C19	C20	H8	94.1°	97.1°
C18	C19	O33	H23	180.0°	61.5°
C19	C18	O34	H24	63.5°	173.8°
C20	C31	O32	H20	120.7°	119.9°
C20	C31	O32	H21	120.7°	120.1°
C31	C20	C19	H8	118.9°	121.2°
C31	C20	C19	H7	99.8°	99.9°
C20	C31	H20	H21	117.8°	120.0°
C20	C31	O32	H22	180.0°	180.0°
O32	C31	C20	C19	96.1°	54.5°
O32	C31	C20	H8	22.6°	175.6°
O32	C31	H20	H21	117.8°	120.0°
C20	C19	C18	H6	73.2°	82.4°
C19	C20	C31	H20	143.2°	65.5°
C19	C20	C31	H21	24.6°	174.5°
C20	C19	O33	H23	59.6°	175.2°
H1	C1	C26	H9	129.5°	180.0°
H1	C1	C26	H10	111.7°	60.0°
H2	C1	C26	H9	11.1°	60.0°
H2	C1	C26	H10	129.8°	180.0°
H4	C17	C18	H6	173.7°	160.1°
H5	C17	C18	H6	51.1°	37.9°
H6	C18	C19	H7	39.8°	35.9°
H6	C18	O34	H24	57.5°	62.4°
H7	C19	C20	H8	19.2°	21.3°
H7	C19	O33	H23	60.8°	61.7°
H8	C20	C31	H20	98.1°	55.7°
H8	C20	C31	H21	143.3°	64.3°
H9	C26	C27	H11	132.5°	180.0°
H9	C26	C27	H12	108.9°	60.0°
H10	C26	C27	H11	13.7°	60.0°
H10	C26	C27	H12	132.3°	180.0°
H11	C27	C28	H13	117.4°	180.0°
H11	C27	C28	H14	124.1°	60.0°
H12	C27	C28	H13	1.2°	60.1°
H12	C27	C28	H14	117.4°	179.9°
H13	C28	C29	H15	92.7°	180.0°
H13	C28	C29	H16	26.2°	60.0°
H14	C28	C29	H15	25.9°	60.0°
H14	C28	C29	H16	144.7°	NaN°
H15	C29	C30	H19	144.4°	59.9°
H15	C29	C30	N2	33.7°	60.0°
H15	C29	C30	H3	76.9°	180.0°
H16	C29	C30	H19	25.6°	180.0°
H16	C29	C30	N2	85.1°	60.1°
H16	C29	C30	H3	164.3°	60.0°
H19	C30	N2	H3	138.7°	120.0°
H19	C30	N2	N3	90.0°	150.1°
H19	C30	N2	C6	90.0°	29.7°
H20	C31	O32	H22	59.3°	60.1°
H21	C31	O32	H22	59.3°	59.9°
C30	N2	N3	C6	90.0°	179.8°
C30	N2	N3	N4	90.0°	180.0°
C30	N2	C6	C5	90.0°	179.9°
C30	N2	C6	C2	90.0°	0.2°
N2	N3	N4	C5	90.0°	0.0°
N3	N2	C6	C5	90.0°	0.3°
N3	N2	C6	C2	90.0°	180.0°
N3	N2	C30	H3	90.0°	30.0°
N3	N4	C5	C6	90.0°	0.2°
N4	N3	N2	C6	90.0°	0.2°
N3	N4	C5	H25	90.0°	180.0°
N4	C5	C6	H25	90.0°	179.8°
N4	C5	C6	N2	90.0°	0.3°
N4	C5	C6	C2	90.0°	180.0°
C5	C6	N2	C2	90.0°	179.7°
C5	C6	C2	O1	90.0°	0.0°
C5	C6	C2	H28	90.0°	120.0°
C5	C6	C2	H29	90.0°	120.1°
N2	C6	C2	O1	90.0°	179.6°
C6	N2	C30	H3	90.0°	149.8°
N2	C6	C2	H28	90.0°	60.4°
N2	C6	C2	H29	90.0°	59.5°
N2	C6	C5	H25	90.0°	179.9°
C6	C2	O1	H28	90.0°	120.0°
C6	C2	O1	H29	90.0°	120.0°
C6	C2	H28	H29	90.0°	119.9°
C2	C6	C5	H25	90.0°	0.2°
C6	C2	O1	C60	90.0°	180.0°
O1	C2	H28	H29	90.0°	120.0°
C2	O1	C60	C3	90.0°	180.0°
C2	O1	C60	H93	90.0°	60.0°
C2	O1	C60	H94	90.0°	60.0°
C61	C3	C58	O6	90.0°	180.0°
C61	C3	C59	O10	90.0°	60.0°
C61	C3	C60	O1	90.0°	60.0°
C3	C61	O14	C9	90.0°	180.0°
C61	C3	C58	C60	90.0°	120.1°
C61	C3	C58	C59	90.0°	119.9°
C61	C3	C60	C59	90.0°	120.0°
C3	C61	O14	H61	90.0°	120.1°
C3	C61	O14	H62	90.0°	120.0°
C3	C61	H61	H62	90.0°	120.0°
C61	C3	C58	H63	90.0°	60.0°
C61	C3	C58	H64	90.0°	59.9°
C61	C3	C59	H65	90.0°	60.0°
C61	C3	C59	H92	90.0°	180.0°
C61	C3	C60	H93	90.0°	60.0°
C61	C3	C60	H94	90.0°	180.0°
N6	N7	N8	C39	90.0°	0.0°
N7	N6	C11	C39	90.0°	0.4°
N7	N6	C11	C12	90.0°	179.8°
N7	N6	C12	C13	90.0°	55.0°
N7	N6	C12	H37	90.0°	65.1°
N7	N6	C12	H38	90.0°	175.0°
N7	N6	C11	H17	90.0°	180.0°
N7	N8	C39	C11	90.0°	0.2°
N8	N7	N6	C11	90.0°	0.2°
N7	N8	C39	C9	90.0°	180.0°
N8	N7	N6	C12	90.0°	180.0°
N8	C39	C11	C9	90.0°	179.7°
N8	C39	C11	N6	90.0°	0.3°
N8	C39	C9	H30	90.0°	60.0°
N8	C39	C9	H31	90.0°	60.0°
N8	C39	C9	O14	90.0°	180.0°
N8	C39	C11	H17	90.0°	180.0°
C39	C11	N6	H17	90.0°	179.7°
C11	C39	C9	H30	90.0°	120.3°
C11	C39	C9	H31	90.0°	119.7°
C11	C39	C9	O14	90.0°	0.4°
C39	C11	N6	C12	90.0°	179.9°
C11	N6	C12	C13	90.0°	124.7°
C11	N6	C12	H37	90.0°	115.2°
C11	N6	C12	H38	90.0°	4.7°
N6	C11	C39	C9	90.0°	179.9°
C12	C13	C14	H39	90.0°	120.0°
C12	C13	C14	H40	90.0°	119.9°
C12	C13	C14	C15	90.0°	180.0°
C13	C12	H37	H38	90.0°	120.0°
C13	C12	H37	N6	90.0°	120.1°
C13	C12	H38	N6	90.0°	120.0°
C12	C13	H39	H40	90.0°	120.0°
C12	C13	C14	H41	90.0°	60.0°
C12	C13	C14	H42	90.0°	60.1°
C13	C14	C15	H41	90.0°	120.0°
C13	C14	C15	H42	90.0°	119.9°
C13	C14	C15	C16	90.0°	179.9°
C14	C13	C12	H37	90.0°	59.9°
C14	C13	C12	H38	90.0°	60.0°
C14	C13	H39	H40	90.0°	120.0°
C13	C14	H41	H42	90.0°	120.0°
C13	C14	C15	H43	90.0°	60.0°
C13	C14	C15	H44	90.0°	60.1°
C14	C13	C12	N6	90.0°	180.0°
C14	C15	C16	H43	90.0°	120.0°
C14	C15	C16	H44	90.0°	120.0°
C14	C15	C16	C21	90.0°	180.0°
C15	C14	C13	H39	90.0°	60.0°
C15	C14	C13	H40	90.0°	60.1°
C15	C14	H41	H42	90.0°	120.0°
C14	C15	H43	H44	90.0°	120.0°
C14	C15	C16	H45	90.0°	60.0°
C14	C15	C16	H46	90.0°	60.0°
C15	C16	C21	H45	90.0°	120.1°
C15	C16	C21	H46	90.0°	120.1°
C15	C16	C21	N5	90.0°	177.4°
C16	C15	C14	H41	90.0°	60.0°
C16	C15	C14	H42	90.0°	60.0°
C16	C15	H43	H44	90.0°	120.0°
C15	C16	H45	H46	90.0°	120.0°
C15	C16	C21	H47	90.0°	62.5°
C15	C16	C21	H48	90.0°	57.4°
C16	C21	N5	H47	90.0°	120.0°
C16	C21	N5	H48	90.0°	120.0°
C16	C21	N5	C23	90.0°	176.3°
C16	C21	N5	C32	90.0°	58.8°
C21	C16	C15	H43	90.0°	60.0°
C21	C16	C15	H44	90.0°	60.0°
C21	C16	H45	H46	90.0°	119.9°
C16	C21	H47	H48	90.0°	119.9°
C21	N5	C23	C32	90.0°	120.5°
C21	N5	C23	C24	90.0°	159.7°
C21	N5	C32	C25	90.0°	145.9°
C21	N5	C32	C22	90.0°	94.8°
N5	C21	C16	H45	90.0°	57.4°
N5	C21	C16	H46	90.0°	62.5°
N5	C21	H47	H48	90.0°	120.0°
C21	N5	C23	H49	90.0°	41.3°
C21	N5	C23	H50	90.0°	81.9°
C21	N5	C32	H53	90.0°	26.6°
N5	C23	C24	H49	90.0°	118.4°
N5	C23	C24	H50	90.0°	118.5°
N5	C23	C24	C25	90.0°	37.4°
C23	N5	C32	C25	90.0°	25.3°
C23	N5	C32	C22	90.0°	144.6°
N5	C23	C24	O5	90.0°	155.8°
C23	N5	C21	H47	90.0°	56.2°
C23	N5	C21	H48	90.0°	63.7°
N5	C23	H49	H50	90.0°	123.1°
N5	C23	C24	H51	90.0°	80.9°
C23	N5	C32	H53	90.0°	94.0°
C23	C24	C25	O5	90.0°	118.4°
C23	C24	C25	H51	90.0°	118.3°
C23	C24	C25	C32	90.0°	21.9°
C24	C23	N5	C32	90.0°	39.2°
C23	C24	C25	O4	90.0°	97.0°
C23	C24	O5	H51	90.0°	123.3°
C24	C23	H49	H50	90.0°	123.0°
C23	C24	C25	H52	90.0°	140.9°
C23	C24	O5	H58	90.0°	61.5°
C24	C25	C32	O4	90.0°	118.9°
C24	C25	C32	H52	90.0°	118.9°
C24	C25	C32	N5	90.0°	1.2°
C24	C25	C32	C22	90.0°	120.6°
C24	C25	O4	H52	90.0°	122.1°
C25	C24	O5	H51	90.0°	123.3°
C25	C24	C23	H49	90.0°	81.0°
C25	C24	C23	H50	90.0°	155.9°
C24	C25	C32	H53	90.0°	118.1°
C24	C25	O4	H57	90.0°	61.4°
C25	C24	O5	H58	90.0°	174.9°
C25	C32	N5	C22	90.0°	119.3°
C25	C32	N5	H53	90.0°	119.3°
C25	C32	C22	H53	90.0°	121.2°
C25	C32	C22	O3	90.0°	53.6°
C32	C25	O4	H52	90.0°	122.1°
C32	C25	C24	O5	90.0°	140.3°
C32	C25	C24	H51	90.0°	96.4°
C25	C32	C22	H54	90.0°	173.5°
C25	C32	C22	H55	90.0°	66.5°
C32	C25	O4	H57	90.0°	177.1°
N5	C32	C22	H53	90.0°	121.3°
N5	C32	C22	O3	90.0°	64.0°
N5	C32	C25	O4	90.0°	120.1°
C32	N5	C21	H47	90.0°	61.2°
C32	N5	C21	H48	90.0°	178.8°
C32	N5	C23	H49	90.0°	79.2°
C32	N5	C23	H50	90.0°	157.6°
N5	C32	C25	H52	90.0°	117.7°
N5	C32	C22	H54	90.0°	56.0°
N5	C32	C22	H55	90.0°	176.0°
C32	C22	O3	H54	90.0°	119.9°
C32	C22	O3	H55	90.0°	120.1°
C22	C32	C25	O4	90.0°	120.5°
C22	C32	C25	H52	90.0°	1.7°
C32	C22	H54	H55	90.0°	120.0°
C32	C22	O3	H56	90.0°	179.9°
O3	C22	C32	H53	90.0°	174.8°
O3	C22	H54	H55	90.0°	120.0°
O4	C25	C24	O5	90.0°	21.4°
O4	C25	C24	H51	90.0°	144.7°
O4	C25	C32	H53	90.0°	0.8°
O5	C24	C23	H49	90.0°	37.3°
O5	C24	C23	H50	90.0°	85.8°
O5	C24	C25	H52	90.0°	100.8°
O6	C33	C36	N11	90.0°	180.0°
O6	C33	C36	C37	90.0°	0.2°
O6	C33	H59	H60	90.0°	120.0°
O6	C33	H59	C36	90.0°	119.9°
O6	C33	H60	C36	90.0°	120.0°
C33	O6	C58	C3	90.0°	180.0°
C33	O6	C58	H63	90.0°	60.0°
C33	O6	C58	H64	90.0°	60.0°
N9	N10	N11	C36	90.0°	0.0°
N10	N9	C37	C36	90.0°	0.3°
N10	N9	C37	C4	90.0°	179.8°
N10	N9	C4	C8	90.0°	55.0°
N10	N9	C4	H66	90.0°	65.0°
N10	N9	C4	H67	90.0°	175.0°
N10	N9	C37	H18	90.0°	180.0°
N10	N11	C36	C37	90.0°	0.2°
N11	N10	N9	C37	90.0°	0.2°
N10	N11	C36	C33	90.0°	179.9°
N11	N10	N9	C4	90.0°	180.0°
N11	C36	C37	C33	90.0°	179.8°
N11	C36	C37	N9	90.0°	0.3°
N11	C36	C33	H59	90.0°	60.1°
N11	C36	C33	H60	90.0°	60.0°
N11	C36	C37	H18	90.0°	180.0°
C36	C37	N9	H18	90.0°	179.7°
C37	C36	C33	H59	90.0°	119.7°
C37	C36	C33	H60	90.0°	120.2°
C36	C37	N9	C4	90.0°	179.9°
C37	N9	C4	C8	90.0°	124.7°
C37	N9	C4	H66	90.0°	115.3°
C37	N9	C4	H67	90.0°	4.7°
N9	C37	C36	C33	90.0°	179.8°
C4	C8	C10	H68	90.0°	120.0°
C4	C8	C10	H69	90.0°	119.9°
C4	C8	C10	C34	90.0°	180.0°
C8	C4	H66	H67	90.0°	120.1°
C8	C4	H66	N9	90.0°	120.0°
C8	C4	H67	N9	90.0°	120.0°
C4	C8	H68	H69	90.0°	120.0°
C4	C8	C10	H70	90.0°	60.0°
C4	C8	C10	H71	90.0°	60.0°
C8	C10	C34	H70	90.0°	120.1°
C8	C10	C34	H71	90.0°	120.0°
C8	C10	C34	C35	90.0°	180.0°
C10	C8	C4	H66	90.0°	60.0°
C10	C8	C4	H67	90.0°	60.1°
C10	C8	H68	H69	90.0°	120.1°
C8	C10	H70	H71	90.0°	120.1°
C8	C10	C34	H72	90.0°	59.9°
C8	C10	C34	H73	90.0°	60.0°
C10	C8	C4	N9	90.0°	180.0°
C10	C34	C35	H72	90.0°	120.0°
C10	C34	C35	H73	90.0°	120.0°
C10	C34	C35	C38	90.0°	180.0°
C34	C10	C8	H68	90.0°	60.0°
C34	C10	C8	H69	90.0°	60.1°
C34	C10	H70	H71	90.0°	119.9°
C10	C34	H72	H73	90.0°	119.9°
C10	C34	C35	H74	90.0°	59.9°
C10	C34	C35	H75	90.0°	60.0°
C34	C35	C38	H74	90.0°	120.0°
C34	C35	C38	H75	90.0°	119.9°
C34	C35	C38	N12	90.0°	174.5°
C35	C34	C10	H70	90.0°	59.9°
C35	C34	C10	H71	90.0°	60.0°
C35	C34	H72	H73	90.0°	120.0°
C34	C35	H74	H75	90.0°	119.9°
C34	C35	C38	H76	90.0°	65.6°
C34	C35	C38	H77	90.0°	54.5°
C35	C38	N12	H76	90.0°	120.0°
C35	C38	N12	H77	90.0°	120.0°
C35	C38	N12	C41	90.0°	176.8°
C35	C38	N12	C44	90.0°	59.4°
C38	C35	C34	H72	90.0°	60.0°
C38	C35	C34	H73	90.0°	60.0°
C38	C35	H74	H75	90.0°	120.1°
C35	C38	H76	H77	90.0°	120.1°
C38	N12	C41	C44	90.0°	120.5°
C38	N12	C41	C42	90.0°	159.7°
C38	N12	C44	C43	90.0°	145.8°
C38	N12	C44	C40	90.0°	94.8°
N12	C38	C35	H74	90.0°	54.4°
N12	C38	C35	H75	90.0°	65.6°
N12	C38	H76	H77	90.0°	120.0°
C38	N12	C41	H78	90.0°	41.3°
C38	N12	C41	H79	90.0°	81.9°
C38	N12	C44	H82	90.0°	26.5°
N12	C41	C42	H78	90.0°	118.4°
N12	C41	C42	H79	90.0°	118.4°
N12	C41	C42	C43	90.0°	37.5°
C41	N12	C44	C43	90.0°	25.3°
C41	N12	C44	C40	90.0°	144.7°
N12	C41	C42	O9	90.0°	155.8°
C41	N12	C38	H76	90.0°	56.8°
C41	N12	C38	H77	90.0°	63.2°
N12	C41	H78	H79	90.0°	123.1°
N12	C41	C42	H80	90.0°	80.9°
C41	N12	C44	H82	90.0°	94.0°
C41	C42	C43	O9	90.0°	118.3°
C41	C42	C43	H80	90.0°	118.4°
C41	C42	C43	C44	90.0°	22.0°
C42	C41	N12	C44	90.0°	39.2°
C41	C42	C43	O8	90.0°	96.9°
C41	C42	O9	H80	90.0°	123.3°
C42	C41	H78	H79	90.0°	123.1°
C41	C42	C43	H81	90.0°	140.9°
C41	C42	O9	H87	90.0°	61.4°
C42	C43	C44	O8	90.0°	119.0°
C42	C43	C44	H81	90.0°	118.9°
C42	C43	C44	N12	90.0°	1.2°
C42	C43	C44	C40	90.0°	120.6°
C42	C43	O8	H81	90.0°	122.2°
C43	C42	O9	H80	90.0°	123.3°
C43	C42	C41	H78	90.0°	81.0°
C43	C42	C41	H79	90.0°	155.9°
C42	C43	C44	H82	90.0°	118.2°
C42	C43	O8	H86	90.0°	61.5°
C43	C42	O9	H87	90.0°	174.9°
C43	C44	N12	C40	90.0°	119.4°
C43	C44	N12	H82	90.0°	119.3°
C43	C44	C40	H82	90.0°	121.2°
C43	C44	C40	O7	90.0°	53.6°
C44	C43	O8	H81	90.0°	122.1°
C44	C43	C42	O9	90.0°	140.3°
C44	C43	C42	H80	90.0°	96.4°
C43	C44	C40	H83	90.0°	173.5°
C43	C44	C40	H84	90.0°	66.4°
C44	C43	O8	H86	90.0°	177.2°
N12	C44	C40	H82	90.0°	121.2°
N12	C44	C40	O7	90.0°	64.0°
N12	C44	C43	O8	90.0°	120.2°
C44	N12	C38	H76	90.0°	60.5°
C44	N12	C38	H77	90.0°	179.5°
C44	N12	C41	H78	90.0°	79.2°
C44	N12	C41	H79	90.0°	157.7°
N12	C44	C43	H81	90.0°	117.7°
N12	C44	C40	H83	90.0°	55.9°
N12	C44	C40	H84	90.0°	176.0°
C44	C40	O7	H83	90.0°	120.0°
C44	C40	O7	H84	90.0°	120.0°
C40	C44	C43	O8	90.0°	120.5°
C40	C44	C43	H81	90.0°	1.7°
C44	C40	H83	H84	90.0°	120.0°
C44	C40	O7	H85	90.0°	180.0°
O7	C40	C44	H82	90.0°	174.8°
O7	C40	H83	H84	90.0°	120.0°
O8	C43	C42	O9	90.0°	21.4°
O8	C43	C42	H80	90.0°	144.7°
O8	C43	C44	H82	90.0°	0.8°
O9	C42	C41	H78	90.0°	37.4°
O9	C42	C41	H79	90.0°	85.8°
O9	C42	C43	H81	90.0°	100.8°
O10	C45	C49	C48	90.0°	0.0°
O10	C45	C49	N13	90.0°	179.9°
O10	C45	H88	H89	90.0°	120.0°
O10	C45	H88	C49	90.0°	120.0°
O10	C45	H89	C49	90.0°	120.0°
C45	O10	C59	C3	90.0°	180.0°
C45	O10	C59	H65	90.0°	59.9°
C45	O10	C59	H92	90.0°	60.0°
N13	N14	N15	C48	90.0°	0.0°
N14	N13	C49	C48	90.0°	0.1°
N14	N13	C49	C45	90.0°	180.0°
N13	N14	N15	C7	90.0°	180.0°
N14	N15	C48	C7	90.0°	179.9°
N14	N15	C48	C49	90.0°	0.1°
N15	N14	N13	C49	90.0°	0.0°
N14	N15	C7	C46	90.0°	55.0°
N14	N15	C7	H95	90.0°	65.0°
N14	N15	C7	H96	90.0°	175.0°
N14	N15	C48	H26	90.0°	179.9°
N15	C48	C49	H26	90.0°	179.9°
N15	C48	C49	N13	90.0°	0.1°
C48	N15	C7	C46	90.0°	125.1°
C48	N15	C7	H95	90.0°	115.0°
C48	N15	C7	H96	90.0°	5.1°
N15	C48	C49	C45	90.0°	180.0°
C48	C49	N13	C45	90.0°	179.9°
C48	C49	C45	H88	90.0°	120.0°
C48	C49	C45	H89	90.0°	119.9°
C49	C48	N15	C7	90.0°	180.0°
N13	C49	C45	H88	90.0°	60.1°
N13	C49	C45	H89	90.0°	60.0°
N13	C49	C48	H26	90.0°	179.9°
C7	C46	C47	H97	90.0°	120.0°
C7	C46	C47	H98	90.0°	120.0°
C7	C46	C47	C50	90.0°	180.0°
C46	C7	H95	H96	90.0°	120.0°
C46	C7	H95	N15	90.0°	119.9°
C46	C7	H96	N15	90.0°	120.0°
C7	C46	H97	H98	90.0°	120.0°
C7	C46	C47	H99	90.0°	60.0°
C7	C46	C47	H100	90.0°	60.0°
C46	C47	C50	H99	90.0°	120.0°
C46	C47	C50	H100	90.0°	119.9°
C46	C47	C50	C51	90.0°	180.0°
C47	C46	C7	H95	90.0°	60.0°
C47	C46	C7	H96	90.0°	60.0°
C47	C46	H97	H98	90.0°	120.0°
C46	C47	H99	H100	90.0°	119.9°
C46	C47	C50	H101	90.0°	60.0°
C46	C47	C50	H102	90.0°	60.0°
C47	C46	C7	N15	90.0°	180.0°
C47	C50	C51	H101	90.0°	120.0°
C47	C50	C51	H102	90.0°	120.0°
C47	C50	C51	C52	90.0°	180.0°
C50	C47	C46	H97	90.0°	60.0°
C50	C47	C46	H98	90.0°	60.1°
C50	C47	H99	H100	90.0°	120.1°
C47	C50	H101	H102	90.0°	120.0°
C47	C50	C51	H103	90.0°	60.0°
C47	C50	C51	H104	90.0°	60.0°
C50	C51	C52	H103	90.0°	120.0°
C50	C51	C52	H104	90.0°	120.0°
C50	C51	C52	N16	90.0°	180.0°
C51	C50	C47	H99	90.0°	60.0°
C51	C50	C47	H100	90.0°	60.1°
C51	C50	H101	H102	90.0°	120.0°
C50	C51	H103	H104	90.0°	120.0°
C50	C51	C52	H105	90.0°	59.9°
C50	C51	C52	H106	90.0°	60.0°
C51	C52	N16	H105	90.0°	120.1°
C51	C52	N16	H106	90.0°	120.0°
C51	C52	N16	C54	90.0°	170.0°
C51	C52	N16	C57	90.0°	74.6°
C52	C51	C50	H101	90.0°	60.0°
C52	C51	C50	H102	90.0°	60.0°
C52	C51	H103	H104	90.0°	120.0°
C51	C52	H105	H106	90.0°	119.9°
C52	N16	C54	C57	90.0°	119.6°
C52	N16	C54	C55	90.0°	159.1°
C52	N16	C57	C56	90.0°	159.1°
C52	N16	C54	C53	90.0°	82.2°
N16	C52	C51	H103	90.0°	60.0°
N16	C52	C51	H104	90.0°	60.0°
N16	C52	H105	H106	90.0°	120.0°
C52	N16	C54	H107	90.0°	40.3°
C52	N16	C57	H110	90.0°	40.2°
C52	N16	C57	H111	90.0°	82.2°
N16	C54	C55	C53	90.0°	118.8°
N16	C54	C55	H107	90.0°	118.8°
N16	C54	C55	C56	90.0°	23.8°
C54	N16	C57	C56	90.0°	39.5°
N16	C54	C53	H107	90.0°	122.5°
N16	C54	C53	O11	90.0°	65.0°
N16	C54	C55	O12	90.0°	95.1°
C54	N16	C52	H105	90.0°	49.9°
C54	N16	C52	H106	90.0°	70.0°
N16	C54	C55	H108	90.0°	142.7°
C54	N16	C57	H110	90.0°	79.3°
C54	N16	C57	H111	90.0°	158.3°
N16	C54	C53	H112	90.0°	55.0°
N16	C54	C53	H113	90.0°	175.0°
C54	C55	C56	O12	90.0°	118.9°
C54	C55	C56	H108	90.0°	118.9°
C54	C55	C56	C57	90.0°	0.0°
C55	C54	N16	C57	90.0°	39.5°
C55	C54	C53	H107	90.0°	122.4°
C55	C54	C53	O11	90.0°	50.2°
C54	C55	O12	H108	90.0°	122.2°
C54	C55	C56	O13	90.0°	118.9°
C54	C55	C56	H109	90.0°	118.9°
C55	C54	C53	H112	90.0°	170.2°
C55	C54	C53	H113	90.0°	69.8°
C54	C55	O12	H115	90.0°	180.0°
C55	C56	C57	O13	90.0°	118.9°
C55	C56	C57	H109	90.0°	118.9°
C55	C56	C57	N16	90.0°	23.9°
C56	C55	C54	C53	90.0°	142.6°
C56	C55	O12	H108	90.0°	122.2°
C55	C56	O13	H109	90.0°	122.2°
C56	C55	C54	H107	90.0°	94.9°
C55	C56	C57	H110	90.0°	94.9°
C55	C56	C57	H111	90.0°	142.7°
C56	C55	O12	H115	90.0°	64.3°
C55	C56	O13	H116	90.0°	180.0°
C56	C57	N16	H110	90.0°	118.8°
C56	C57	N16	H111	90.0°	118.8°
C57	C56	C55	O12	90.0°	118.9°
C57	C56	O13	H109	90.0°	122.2°
C57	C56	C55	H108	90.0°	118.9°
C56	C57	H110	H111	90.0°	122.4°
C57	C56	O13	H116	90.0°	64.4°
C57	N16	C54	C53	90.0°	158.2°
N16	C57	C56	O13	90.0°	95.0°
C57	N16	C52	H105	90.0°	165.4°
C57	N16	C52	H106	90.0°	45.4°
C57	N16	C54	H107	90.0°	79.3°
N16	C57	C56	H109	90.0°	142.7°
N16	C57	H110	H111	90.0°	122.4°
C54	C53	O11	H112	90.0°	119.9°
C54	C53	O11	H113	90.0°	120.0°
C53	C54	C55	O12	90.0°	23.7°
C53	C54	C55	H108	90.0°	98.5°
C54	C53	H112	H113	90.0°	120.0°
C54	C53	O11	H114	90.0°	180.0°
O11	C53	C54	H107	90.0°	172.6°
O11	C53	H112	H113	90.0°	120.0°
O12	C55	C56	O13	90.0°	0.0°
O12	C55	C54	H107	90.0°	146.1°
O12	C55	C56	H109	90.0°	122.2°
O13	C56	C55	H108	90.0°	122.2°
O13	C56	C57	H110	90.0°	146.2°
O13	C56	C57	H111	90.0°	23.8°
H28	C2	O1	C60	90.0°	60.0°
H29	C2	O1	C60	90.0°	60.0°
H30	C9	H31	C39	90.0°	120.0°
H30	C9	H31	O14	90.0°	120.0°
H30	C9	C39	O14	90.0°	119.9°
H30	C9	O14	C61	90.0°	60.0°
H31	C9	C39	O14	90.0°	120.0°
H31	C9	O14	C61	90.0°	60.0°
H37	C12	H38	N6	90.0°	120.0°
H37	C12	C13	H39	90.0°	180.0°
H37	C12	C13	H40	90.0°	60.0°
H38	C12	C13	H39	90.0°	60.0°
H38	C12	C13	H40	90.0°	180.0°
H39	C13	C14	H41	90.0°	180.0°
H39	C13	C14	H42	90.0°	59.9°
H39	C13	C12	N6	90.0°	60.0°
H40	C13	C14	H41	90.0°	59.9°
H40	C13	C14	H42	90.0°	180.0°
H40	C13	C12	N6	90.0°	60.1°
H41	C14	C15	H43	90.0°	180.0°
H41	C14	C15	H44	90.0°	60.0°
H42	C14	C15	H43	90.0°	59.9°
H42	C14	C15	H44	90.0°	180.0°
H43	C15	C16	H45	90.0°	180.0°
H43	C15	C16	H46	90.0°	60.0°
H44	C15	C16	H45	90.0°	60.0°
H44	C15	C16	H46	90.0°	180.0°
H45	C16	C21	H47	90.0°	177.5°
H45	C16	C21	H48	90.0°	62.7°
H46	C16	C21	H47	90.0°	57.6°
H46	C16	C21	H48	90.0°	177.5°
H49	C23	C24	H51	90.0°	160.7°
H50	C23	C24	H51	90.0°	37.5°
H51	C24	C25	H52	90.0°	22.5°
H51	C24	O5	H58	90.0°	61.8°
H52	C25	C32	H53	90.0°	123.0°
H52	C25	O4	H57	90.0°	60.7°
H53	C32	C22	H54	90.0°	65.3°
H53	C32	C22	H55	90.0°	54.7°
H54	C22	O3	H56	90.0°	60.0°
H55	C22	O3	H56	90.0°	60.0°
H59	C33	H60	C36	90.0°	120.0°
H59	C33	O6	C58	90.0°	60.0°
H60	C33	O6	C58	90.0°	60.0°
H66	C4	H67	N9	90.0°	120.0°
H66	C4	C8	H68	90.0°	179.9°
H66	C4	C8	H69	90.0°	59.9°
H67	C4	C8	H68	90.0°	60.0°
H67	C4	C8	H69	90.0°	180.0°
H68	C8	C10	H70	90.0°	180.0°
H68	C8	C10	H71	90.0°	60.0°
H68	C8	C4	N9	90.0°	60.0°
H69	C8	C10	H70	90.0°	59.9°
H69	C8	C10	H71	90.0°	180.0°
H69	C8	C4	N9	90.0°	60.0°
H70	C10	C34	H72	90.0°	180.0°
H70	C10	C34	H73	90.0°	60.1°
H71	C10	C34	H72	90.0°	60.1°
H71	C10	C34	H73	90.0°	180.0°
H72	C34	C35	H74	90.0°	180.0°
H72	C34	C35	H75	90.0°	60.0°
H73	C34	C35	H74	90.0°	60.0°
H73	C34	C35	H75	90.0°	180.0°
H74	C35	C38	H76	90.0°	174.4°
H74	C35	C38	H77	90.0°	65.5°
H75	C35	C38	H76	90.0°	54.4°
H75	C35	C38	H77	90.0°	174.4°
H78	C41	C42	H80	90.0°	160.6°
H79	C41	C42	H80	90.0°	37.5°
H80	C42	C43	H81	90.0°	22.5°
H80	C42	O9	H87	90.0°	61.8°
H81	C43	C44	H82	90.0°	122.9°
H81	C43	O8	H86	90.0°	60.7°
H82	C44	C40	H83	90.0°	65.3°
H82	C44	C40	H84	90.0°	54.8°
H83	C40	O7	H85	90.0°	60.0°
H84	C40	O7	H85	90.0°	60.0°
H88	C45	H89	C49	90.0°	120.1°
H88	C45	O10	C59	90.0°	60.0°
H89	C45	O10	C59	90.0°	60.0°
H95	C7	H96	N15	90.0°	120.0°
H95	C7	C46	H97	90.0°	180.0°
H95	C7	C46	H98	90.0°	60.0°
H96	C7	C46	H97	90.0°	60.0°
H96	C7	C46	H98	90.0°	180.0°
H97	C46	C47	H99	90.0°	180.0°
H97	C46	C47	H100	90.0°	60.0°
H97	C46	C7	N15	90.0°	60.0°
H98	C46	C47	H99	90.0°	60.0°
H98	C46	C47	H100	90.0°	180.0°
H98	C46	C7	N15	90.0°	60.0°
H99	C47	C50	H101	90.0°	179.9°
H99	C47	C50	H102	90.0°	60.0°
H100	C47	C50	H101	90.0°	59.9°
H100	C47	C50	H102	90.0°	179.9°
H101	C50	C51	H103	90.0°	180.0°
H101	C50	C51	H104	90.0°	60.0°
H102	C50	C51	H103	90.0°	60.0°
H102	C50	C51	H104	90.0°	180.0°
H103	C51	C52	H105	90.0°	180.0°
H103	C51	C52	H106	90.0°	60.0°
H104	C51	C52	H105	90.0°	60.1°
H104	C51	C52	H106	90.0°	180.0°
H107	C54	C55	H108	90.0°	23.9°
H107	C54	C53	H112	90.0°	67.5°
H107	C54	C53	H113	90.0°	52.6°
H108	C55	C56	H109	90.0°	0.0°
H108	C55	O12	H115	90.0°	57.8°
H109	C56	C57	H110	90.0°	23.9°
H109	C56	C57	H111	90.0°	98.5°
H109	C56	O13	H116	90.0°	57.8°
H112	C53	O11	H114	90.0°	60.1°
H113	C53	O11	H114	90.0°	60.0°
C36	C33	O6	C58	90.0°	180.0°
C33	C36	C37	H18	90.0°	0.2°
C39	C9	O14	C61	90.0°	180.0°
C9	C39	C11	H17	90.0°	0.3°
C49	C45	O10	C59	90.0°	180.0°
C45	C49	C48	H26	90.0°	0.1°
O6	C58	C3	H63	90.0°	120.0°
O6	C58	C3	H64	90.0°	120.0°
O6	C58	C3	C60	90.0°	60.0°
O6	C58	C3	C59	90.0°	60.0°
O6	C58	H63	H64	90.0°	120.1°
O10	C59	C3	C58	90.0°	60.0°
O10	C59	C3	C60	90.0°	180.0°
O10	C59	C3	H65	90.0°	120.0°
O10	C59	C3	H92	90.0°	120.0°
O10	C59	H65	H92	90.0°	119.9°
O1	C60	C3	C58	90.0°	60.0°
O1	C60	C3	H93	90.0°	120.0°
O1	C60	C3	H94	90.0°	120.0°
O1	C60	C3	C59	90.0°	180.0°
O1	C60	H93	H94	90.0°	120.0°
C9	O14	C61	H61	90.0°	60.0°
C9	O14	C61	H62	90.0°	60.0°
C58	C3	C60	C59	90.0°	120.0°
C58	C3	C61	O14	90.0°	180.0°
C58	C3	C61	H61	90.0°	60.0°
C58	C3	C61	H62	90.0°	60.0°
C3	C58	H63	H64	90.0°	120.0°
C58	C3	C59	H65	90.0°	180.0°
C58	C3	C59	H92	90.0°	60.0°
C58	C3	C60	H93	90.0°	180.0°
C58	C3	C60	H94	90.0°	60.0°
C60	C3	C61	O14	90.0°	60.0°
C60	C3	C61	H61	90.0°	180.0°
C60	C3	C61	H62	90.0°	60.0°
C60	C3	C58	H63	90.0°	60.0°
C60	C3	C58	H64	90.0°	180.0°
C60	C3	C59	H65	90.0°	60.0°
C60	C3	C59	H92	90.0°	60.0°
C3	C60	H93	H94	90.0°	120.0°
C59	C3	C61	O14	90.0°	60.1°
C59	C3	C61	H61	90.0°	60.0°
C59	C3	C61	H62	90.0°	180.0°
C59	C3	C58	H63	90.0°	180.0°
C59	C3	C58	H64	90.0°	60.0°
C3	C59	H65	H92	90.0°	120.0°
C59	C3	C60	H93	90.0°	60.0°
C59	C3	C60	H94	90.0°	60.0°
O14	C61	H61	H62	90.0°	120.0°
C4	N9	C37	H18	90.0°	0.2°
C7	N15	C48	H26	90.0°	0.1°
C12	N6	C11	H17	90.0°	0.2°

Release date:	2024-10-02
Definition date:	2023-09-20
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBE
Derived from:	8QKW