KNM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C20	sing	1.53Å	1.52Å
C18	C19	sing	1.53Å	1.52Å
C18	C17	sing	1.53Å	1.52Å
O5	S1	doub	1.42Å	1.44Å
C21	C15	sing	1.53Å	1.53Å
C21	C16	sing	1.53Å	1.52Å
C15	C17	sing	1.53Å	1.53Å
C15	N3	sing	1.46Å	1.45Å
C16	S1	sing	1.81Å	1.66Å
S1	C22	sing	1.81Å	1.66Å
S1	O4	doub	1.42Å	1.43Å
N3	C14	sing	1.35Å	1.33Å
O2	C14	doub	1.21Å	1.22Å
C14	C9	sing	1.51Å	1.50Å
C9	C10	sing	1.53Å	1.53Å
C9	N2	sing	1.47Å	1.45Å
C13	C11	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.52Å
N2	C8	sing	1.35Å	1.33Å
C11	C12	sing	1.53Å	1.52Å
C8	O3	doub	1.21Å	1.22Å
C8	C3	sing	1.51Å	1.51Å
C7	C5	sing	1.53Å	1.52Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.52Å
C3	N1	sing	1.47Å	1.45Å
C5	C6	sing	1.53Å	1.52Å
N1	C1	sing	1.35Å	1.33Å
C2	C1	sing	1.51Å	1.50Å
C1	O1	doub	1.21Å	1.22Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
N2	H15	sing	0.97Å	1.00Å
C9	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C11	H19	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å
C12	H21	sing	1.09Å	1.10Å
C12	H22	sing	1.09Å	1.10Å
C13	H23	sing	1.09Å	1.10Å
C13	H24	sing	1.09Å	1.10Å
C13	H25	sing	1.09Å	1.10Å
N3	H26	sing	0.97Å	1.00Å
C15	H27	sing	1.09Å	1.10Å
C16	H28	sing	1.09Å	1.10Å
C16	H29	sing	1.09Å	1.10Å
C17	H30	sing	1.09Å	1.10Å
C17	H31	sing	1.09Å	1.10Å
C18	H32	sing	1.09Å	1.10Å
C19	H33	sing	1.09Å	1.10Å
C19	H34	sing	1.09Å	1.10Å
C19	H35	sing	1.09Å	1.10Å
C20	H36	sing	1.09Å	1.10Å
C20	H37	sing	1.09Å	1.10Å
C20	H38	sing	1.09Å	1.10Å
C21	H39	sing	1.09Å	1.10Å
C21	H40	sing	1.09Å	1.10Å
C22	H41	sing	1.09Å	1.10Å
C22	H42	sing	1.09Å	1.10Å
C22	H43	sing	1.09Å	1.10Å
C2	C23	sing	1.53Å	29.19Å
C23	C24	sing	1.53Å	0.00Å
C24	C25	sing	1.53Å	0.00Å
C25	C26	sing	1.53Å	0.00Å
C26	C27	sing	1.53Å	0.00Å
C27	N4	sing	1.46Å	0.00Å
N4	C28	sing	1.35Å	0.00Å
C28	O6	doub	1.21Å	0.00Å
C28	C29	sing	1.51Å	0.00Å
C29	C30	sing	1.53Å	0.00Å
C30	C61	sing	1.53Å	0.00Å
C61	C62	sing	1.53Å	0.00Å
C62	C31	sing	1.53Å	0.00Å
C31	N5	sing	1.46Å	0.00Å
N5	C32	sing	1.35Å	0.00Å
C32	C33	sing	1.51Å	0.00Å
C32	O7	doub	1.21Å	0.00Å
C33	C34	sing	1.53Å	0.00Å
C34	C35	sing	1.53Å	0.00Å
C35	C36	sing	1.53Å	0.00Å
C36	C37	sing	1.53Å	0.00Å
C37	N6	sing	1.46Å	0.00Å
N6	C38	sing	1.35Å	0.00Å
C38	C39	sing	1.51Å	0.00Å
C38	O8	doub	1.21Å	0.00Å
C39	C40	sing	1.53Å	0.00Å
C40	C42	sing	1.53Å	0.00Å
C40	C43	sing	1.53Å	0.00Å
C40	C44	sing	1.53Å	0.00Å
C42	C52	sing	1.53Å	0.00Å
C43	C47	sing	1.53Å	0.00Å
C47	C48	sing	1.53Å	0.00Å
C52	C51	sing	1.53Å	0.00Å
C48	C49	sing	1.53Å	0.00Å
C49	C51	sing	1.53Å	0.00Å
C44	C49	sing	1.53Å	0.00Å
C47	C50	sing	1.53Å	0.00Å
C50	C52	sing	1.53Å	0.00Å
C52	H44	sing	1.09Å	0.00Å
C23	H3	sing	1.09Å	0.00Å
C23	H45	sing	1.09Å	0.00Å
C24	H46	sing	1.09Å	0.00Å
C24	H47	sing	1.09Å	0.00Å
C25	H48	sing	1.09Å	0.00Å
C25	H49	sing	1.09Å	0.00Å
C26	H50	sing	1.09Å	0.00Å
C26	H51	sing	1.09Å	0.00Å
C27	H52	sing	1.09Å	0.00Å
C27	H53	sing	1.09Å	0.00Å
N4	H54	sing	0.97Å	0.00Å
C29	H55	sing	1.09Å	0.00Å
C29	H56	sing	1.09Å	0.00Å
C30	H57	sing	1.09Å	0.00Å
C30	H58	sing	1.09Å	0.00Å
C61	H59	sing	1.09Å	0.00Å
C61	H60	sing	1.09Å	0.00Å
C62	H61	sing	1.09Å	0.00Å
C62	H62	sing	1.09Å	0.00Å
C31	H63	sing	1.09Å	0.00Å
C31	H64	sing	1.09Å	0.00Å
N5	H65	sing	0.97Å	0.00Å
C33	H66	sing	1.09Å	0.00Å
C33	H67	sing	1.09Å	0.00Å
C34	H68	sing	1.09Å	0.00Å
C34	H69	sing	1.09Å	0.00Å
C35	H70	sing	1.09Å	0.00Å
C35	H71	sing	1.09Å	0.00Å
C36	H72	sing	1.09Å	0.00Å
C36	H73	sing	1.09Å	0.00Å
C37	H74	sing	1.09Å	0.00Å
C37	H75	sing	1.09Å	0.00Å
N6	H76	sing	0.97Å	0.00Å
C39	H77	sing	1.09Å	0.00Å
C39	H78	sing	1.09Å	0.00Å
C42	H79	sing	1.09Å	0.00Å
C42	H80	sing	1.09Å	0.00Å
C43	H81	sing	1.09Å	0.00Å
C43	H82	sing	1.09Å	0.00Å
C44	H83	sing	1.09Å	0.00Å
C44	H84	sing	1.09Å	0.00Å
C47	H85	sing	1.09Å	0.00Å
C48	H86	sing	1.09Å	0.00Å
C48	H87	sing	1.09Å	0.00Å
C51	H88	sing	1.09Å	0.00Å
C51	H89	sing	1.09Å	0.00Å
C49	H90	sing	1.09Å	0.00Å
C50	H91	sing	1.09Å	0.00Å
C50	H92	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C18	C19	110.9°	109.5°
C20	C18	C17	111.3°	109.5°
C20	C18	H32	107.8°	109.5°
C18	C20	H36	109.5°	109.5°
C18	C20	H37	109.5°	109.5°
C18	C20	H38	109.5°	109.4°
C19	C18	C17	111.0°	109.5°
C19	C18	H32	107.8°	109.5°
C18	C19	H33	109.5°	109.4°
C18	C19	H34	109.4°	109.5°
C18	C19	H35	109.5°	109.5°
C18	C17	C15	111.9°	109.5°
C18	C17	H30	108.9°	109.4°
C18	C17	H31	108.9°	109.5°
C17	C18	H32	107.9°	109.4°
O5	S1	C16	110.0°	108.5°
O5	S1	C22	109.7°	108.6°
O5	S1	O4	109.4°	119.3°
C15	C21	C16	111.4°	109.5°
C21	C15	C17	109.0°	109.4°
C21	C15	N3	111.6°	109.5°
C21	C15	H27	108.5°	109.5°
C15	C21	H39	109.0°	109.5°
C15	C21	H40	109.0°	109.5°
C21	C16	S1	109.0°	109.5°
C21	C16	H28	109.6°	109.5°
C21	C16	H29	109.6°	109.4°
C16	C21	H39	109.0°	109.5°
C16	C21	H40	109.0°	109.5°
C17	C15	N3	109.6°	109.5°
C17	C15	H27	108.6°	109.4°
C15	C17	H30	108.8°	109.4°
C15	C17	H31	108.8°	109.5°
C15	N3	C14	121.8°	120.0°
C15	N3	H26	119.1°	120.0°
N3	C15	H27	109.5°	109.5°
C16	S1	C22	108.6°	101.9°
C16	S1	O4	109.6°	108.6°
S1	C16	H28	109.6°	109.5°
S1	C16	H29	109.6°	109.5°
C22	S1	O4	109.5°	108.6°
S1	C22	H41	109.5°	109.5°
S1	C22	H42	109.4°	109.5°
S1	C22	H43	109.5°	109.4°
N3	C14	O2	122.0°	120.0°
N3	C14	C9	118.7°	120.0°
C14	N3	H26	119.1°	120.0°
O2	C14	C9	119.3°	120.0°
C14	C9	C10	111.9°	109.5°
C14	C9	N2	111.3°	109.5°
C14	C9	H16	107.7°	109.4°
C10	C9	N2	110.0°	109.5°
C9	C10	C11	110.8°	109.5°
C10	C9	H16	107.4°	109.5°
C9	C10	H17	109.1°	109.5°
C9	C10	H18	109.2°	109.5°
C9	N2	C8	121.5°	120.0°
C9	N2	H15	119.2°	120.0°
N2	C9	H16	108.4°	109.5°
C13	C11	C10	111.1°	109.5°
C13	C11	C12	111.2°	109.4°
C13	C11	H19	107.8°	109.5°
C11	C13	H23	109.5°	109.5°
C11	C13	H24	109.5°	109.4°
C11	C13	H25	109.5°	109.5°
C10	C11	C12	110.9°	109.5°
C11	C10	H17	109.1°	109.4°
C11	C10	H18	109.1°	109.4°
C10	C11	H19	107.8°	109.5°
N2	C8	O3	121.8°	120.0°
N2	C8	C3	118.7°	120.0°
C8	N2	H15	119.2°	120.0°
C12	C11	H19	107.8°	109.4°
C11	C12	H20	109.5°	109.4°
C11	C12	H21	109.4°	109.5°
C11	C12	H22	109.5°	109.5°
O3	C8	C3	119.5°	120.1°
C8	C3	C4	111.8°	109.5°
C8	C3	N1	110.7°	109.4°
C8	C3	H5	108.0°	109.6°
C7	C5	C4	111.2°	109.5°
C7	C5	C6	110.8°	109.4°
C7	C5	H8	108.0°	109.5°
C5	C7	H12	109.5°	109.5°
C5	C7	H13	109.5°	109.5°
C5	C7	H14	109.5°	109.5°
C3	C4	C5	112.0°	109.5°
C4	C3	N1	109.9°	109.4°
C4	C3	H5	107.7°	109.5°
C3	C4	H6	108.8°	109.5°
C3	C4	H7	108.9°	109.5°
C4	C5	C6	110.6°	109.5°
C5	C4	H6	108.8°	109.5°
C5	C4	H7	108.8°	109.5°
C4	C5	H8	108.0°	109.5°
C3	N1	C1	122.8°	120.0°
C3	N1	H4	118.6°	120.0°
N1	C3	H5	108.7°	109.5°
C6	C5	H8	108.1°	109.5°
C5	C6	H9	109.5°	109.5°
C5	C6	H10	109.5°	109.5°
C5	C6	H11	109.5°	109.5°
N1	C1	C2	116.4°	120.0°
N1	C1	O1	122.0°	120.0°
C1	N1	H4	118.6°	120.0°
C2	C1	O1	121.6°	120.0°
C1	C2	H1	110.2°	109.4°
C1	C2	H2	110.2°	109.5°
C1	C2	C23	106.6°	109.5°
H1	C2	H2	109.5°	109.5°
H1	C2	C23	110.2°	109.5°
H2	C2	C23	110.2°	109.5°
H6	C4	H7	109.5°	109.4°
H9	C6	H10	109.5°	109.4°
H9	C6	H11	109.4°	109.5°
H10	C6	H11	109.5°	109.4°
H12	C7	H13	109.5°	109.5°
H12	C7	H14	109.5°	109.5°
H13	C7	H14	109.5°	109.4°
H17	C10	H18	109.4°	109.5°
H20	C12	H21	109.5°	109.5°
H20	C12	H22	109.5°	109.4°
H21	C12	H22	109.5°	109.5°
H23	C13	H24	109.5°	109.5°
H23	C13	H25	109.4°	109.5°
H24	C13	H25	109.5°	109.5°
H28	C16	H29	109.5°	109.4°
H30	C17	H31	109.5°	109.4°
H33	C19	H34	109.5°	109.4°
H33	C19	H35	109.4°	109.5°
H34	C19	H35	109.5°	109.5°
H36	C20	H37	109.5°	109.5°
H36	C20	H38	109.5°	109.5°
H37	C20	H38	109.4°	109.4°
H39	C21	H40	109.5°	109.5°
H41	C22	H42	109.5°	109.5°
H41	C22	H43	109.5°	109.5°
H42	C22	H43	109.5°	109.5°
C2	C23	C24	90.0°	109.4°
C2	C23	H3	90.0°	109.5°
C2	C23	H45	90.0°	109.5°
C23	C24	C25	90.0°	109.5°
C24	C23	H3	90.0°	109.5°
C24	C23	H45	90.0°	109.5°
C23	C24	H46	90.0°	109.5°
C23	C24	H47	90.0°	109.4°
C24	C25	C26	90.0°	109.5°
C25	C24	H46	90.0°	109.5°
C25	C24	H47	90.0°	109.5°
C24	C25	H48	90.0°	109.5°
C24	C25	H49	90.0°	109.5°
C25	C26	C27	90.0°	109.5°
C26	C25	H48	90.0°	109.5°
C26	C25	H49	90.0°	109.4°
C25	C26	H50	90.0°	109.5°
C25	C26	H51	90.0°	109.5°
C26	C27	N4	90.0°	109.5°
C27	C26	H50	90.0°	109.5°
C27	C26	H51	90.0°	109.4°
C26	C27	H52	90.0°	109.4°
C26	C27	H53	90.0°	109.5°
C27	N4	C28	90.0°	120.0°
N4	C27	H52	90.0°	109.5°
N4	C27	H53	90.0°	109.5°
C27	N4	H54	90.0°	120.0°
N4	C28	O6	90.0°	120.0°
N4	C28	C29	90.0°	120.0°
C28	N4	H54	90.0°	120.0°
O6	C28	C29	90.0°	120.0°
C28	C29	C30	90.0°	109.5°
C28	C29	H55	90.0°	109.5°
C28	C29	H56	90.0°	109.5°
C29	C30	C61	90.0°	109.5°
C30	C29	H55	90.0°	109.5°
C30	C29	H56	90.0°	109.4°
C29	C30	H57	90.0°	109.5°
C29	C30	H58	90.0°	109.4°
C30	C61	C62	90.0°	109.4°
C61	C30	H57	90.0°	109.5°
C61	C30	H58	90.0°	109.5°
C30	C61	H59	90.0°	109.5°
C30	C61	H60	90.0°	109.4°
C61	C62	C31	90.0°	109.5°
C62	C61	H59	90.0°	109.5°
C62	C61	H60	90.0°	109.5°
C61	C62	H61	90.0°	109.4°
C61	C62	H62	90.0°	109.5°
C62	C31	N5	90.0°	109.5°
C31	C62	H61	90.0°	109.4°
C31	C62	H62	90.0°	109.5°
C62	C31	H63	90.0°	109.5°
C62	C31	H64	90.0°	109.5°
C31	N5	C32	90.0°	120.0°
N5	C31	H63	90.0°	109.5°
N5	C31	H64	90.0°	109.5°
C31	N5	H65	90.0°	120.0°
N5	C32	C33	90.0°	120.0°
N5	C32	O7	90.0°	120.0°
C32	N5	H65	90.0°	119.9°
C33	C32	O7	90.0°	120.0°
C32	C33	C34	90.0°	109.5°
C32	C33	H66	90.0°	109.5°
C32	C33	H67	90.0°	109.5°
C33	C34	C35	90.0°	109.5°
C34	C33	H66	90.0°	109.5°
C34	C33	H67	90.0°	109.5°
C33	C34	H68	90.0°	109.5°
C33	C34	H69	90.0°	109.5°
C34	C35	C36	90.0°	109.4°
C35	C34	H68	90.0°	109.5°
C35	C34	H69	90.0°	109.5°
C34	C35	H70	90.0°	109.5°
C34	C35	H71	90.0°	109.5°
C35	C36	C37	90.0°	109.5°
C36	C35	H70	90.0°	109.5°
C36	C35	H71	90.0°	109.5°
C35	C36	H72	90.0°	109.5°
C35	C36	H73	90.0°	109.5°
C36	C37	N6	90.0°	109.5°
C37	C36	H72	90.0°	109.5°
C37	C36	H73	90.0°	109.4°
C36	C37	H74	90.0°	109.5°
C36	C37	H75	90.0°	109.5°
C37	N6	C38	90.0°	120.0°
N6	C37	H74	90.0°	109.5°
N6	C37	H75	90.0°	109.4°
C37	N6	H76	90.0°	120.0°
N6	C38	C39	90.0°	120.0°
N6	C38	O8	90.0°	120.0°
C38	N6	H76	90.0°	119.9°
C39	C38	O8	90.0°	120.0°
C38	C39	C40	90.0°	109.4°
C38	C39	H77	90.0°	109.4°
C38	C39	H78	90.0°	109.5°
C39	C40	C42	90.0°	109.5°
C39	C40	C43	90.0°	109.5°
C39	C40	C44	90.0°	109.5°
C40	C39	H77	90.0°	109.4°
C40	C39	H78	90.0°	109.5°
C42	C40	C43	90.0°	109.5°
C42	C40	C44	90.0°	109.4°
C40	C42	C52	90.0°	109.5°
C40	C42	H79	90.0°	109.4°
C40	C42	H80	90.0°	109.4°
C43	C40	C44	90.0°	109.5°
C40	C43	C47	90.0°	109.5°
C40	C43	H81	90.0°	109.4°
C40	C43	H82	90.0°	109.5°
C40	C44	C49	90.0°	109.5°
C40	C44	H83	90.0°	109.5°
C40	C44	H84	90.0°	109.5°
C42	C52	C51	90.0°	109.5°
C42	C52	C50	90.0°	109.5°
C42	C52	H44	90.0°	109.5°
C52	C42	H79	90.0°	109.5°
C52	C42	H80	90.0°	109.5°
C43	C47	C48	90.0°	109.5°
C43	C47	C50	90.0°	109.5°
C47	C43	H81	90.0°	109.5°
C47	C43	H82	90.0°	109.5°
C43	C47	H85	90.0°	109.5°
C47	C48	C49	90.0°	109.5°
C48	C47	C50	90.0°	109.5°
C48	C47	H85	90.0°	109.4°
C47	C48	H86	90.0°	109.5°
C47	C48	H87	90.0°	109.5°
C52	C51	C49	90.0°	109.5°
C51	C52	C50	90.0°	109.5°
C51	C52	H44	90.0°	109.5°
C52	C51	H88	90.0°	109.5°
C52	C51	H89	90.0°	109.4°
C48	C49	C51	90.0°	109.5°
C48	C49	C44	90.0°	109.5°
C49	C48	H86	90.0°	109.4°
C49	C48	H87	90.0°	109.4°
C48	C49	H90	90.0°	109.5°
C51	C49	C44	90.0°	109.4°
C49	C51	H88	90.0°	109.5°
C49	C51	H89	90.0°	109.5°
C51	C49	H90	90.0°	109.5°
C49	C44	H83	90.0°	109.5°
C49	C44	H84	90.0°	109.5°
C44	C49	H90	90.0°	109.5°
C47	C50	C52	90.0°	109.5°
C50	C47	H85	90.0°	109.5°
C47	C50	H91	90.0°	109.4°
C47	C50	H92	90.0°	109.4°
C50	C52	H44	90.0°	109.4°
C52	C50	H91	90.0°	109.5°
C52	C50	H92	90.0°	109.5°
H3	C23	H45	90.0°	109.5°
H46	C24	H47	90.0°	109.4°
H48	C25	H49	90.0°	109.4°
H50	C26	H51	90.0°	109.5°
H52	C27	H53	90.0°	109.4°
H55	C29	H56	90.0°	109.5°
H57	C30	H58	90.0°	109.5°
H59	C61	H60	90.0°	109.5°
H61	C62	H62	90.0°	109.5°
H63	C31	H64	90.0°	109.4°
H66	C33	H67	90.0°	109.4°
H68	C34	H69	90.0°	109.5°
H70	C35	H71	90.0°	109.5°
H72	C36	H73	90.0°	109.5°
H74	C37	H75	90.0°	109.4°
H77	C39	H78	90.0°	109.5°
H79	C42	H80	90.0°	109.5°
H81	C43	H82	90.0°	109.5°
H83	C44	H84	90.0°	109.4°
H86	C48	H87	90.0°	109.5°
H88	C51	H89	90.0°	109.5°
H91	C50	H92	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C18	C19	C17	124.3°	120.0°
C20	C18	C19	H32	117.8°	120.1°
C20	C18	C17	H32	118.1°	120.0°
C20	C18	C17	C15	45.2°	174.5°
C20	C18	C17	H30	165.6°	65.5°
C20	C18	C17	H31	75.2°	54.4°
C20	C18	C19	H33	180.0°	54.8°
C20	C18	C19	H34	60.0°	174.8°
C20	C18	C19	H35	60.0°	65.2°
C18	C20	H36	H37	120.0°	120.0°
C18	C20	H36	H38	120.0°	120.0°
C18	C20	H37	H38	120.0°	119.9°
C19	C18	C17	H32	117.9°	120.0°
C19	C18	C17	C15	169.2°	65.5°
C19	C18	C17	H30	70.4°	54.5°
C19	C18	C17	H31	48.8°	174.5°
C18	C19	H33	H34	120.0°	120.0°
C18	C19	H33	H35	120.0°	120.0°
C18	C19	H34	H35	120.0°	120.0°
C19	C18	C20	H36	180.0°	59.9°
C19	C18	C20	H37	60.0°	180.0°
C19	C18	C20	H38	60.0°	60.0°
C18	C17	C15	C21	112.6°	65.7°
C18	C17	C15	H30	120.4°	120.0°
C18	C17	C15	H31	120.4°	120.1°
C18	C17	C15	N3	125.1°	174.2°
C18	C17	C15	H27	5.5°	54.2°
C18	C17	H30	H31	118.9°	120.0°
C17	C18	C19	H33	55.7°	174.8°
C17	C18	C19	H34	175.7°	65.2°
C17	C18	C19	H35	64.2°	54.8°
C17	C18	C20	H36	56.0°	60.1°
C17	C18	C20	H37	64.1°	60.0°
C17	C18	C20	H38	176.0°	180.0°
O5	S1	C16	C21	23.2°	65.6°
O5	S1	C16	C22	120.0°	114.4°
O5	S1	C16	O4	120.3°	131.1°
O5	S1	C22	O4	120.1°	131.1°
O5	S1	C16	H28	96.7°	54.5°
O5	S1	C16	H29	143.1°	174.5°
O5	S1	C22	H41	180.0°	174.5°
O5	S1	C22	H42	60.0°	65.5°
O5	S1	C22	H43	60.0°	54.4°
C15	C21	C16	H39	120.3°	120.0°
C15	C21	C16	H40	120.3°	120.0°
C21	C15	C17	N3	122.4°	120.0°
C21	C15	C17	H27	118.0°	119.9°
C21	C15	N3	H27	120.2°	120.0°
C15	C21	C16	S1	114.5°	180.0°
C21	C15	N3	C14	165.4°	150.9°
C21	C15	N3	H26	14.6°	29.2°
C15	C21	C16	H28	125.6°	59.9°
C15	C21	C16	H29	5.4°	60.0°
C21	C15	C17	H30	7.8°	174.3°
C21	C15	C17	H31	127.0°	54.4°
C15	C21	H39	H40	119.1°	120.0°
C16	C21	C15	C17	89.8°	175.0°
C16	C21	C15	N3	31.4°	65.0°
C21	C16	S1	H28	119.9°	120.1°
C21	C16	S1	H29	119.9°	119.9°
C21	C16	S1	C22	143.2°	180.0°
C21	C16	S1	O4	97.1°	65.5°
C16	C21	C15	H27	152.1°	55.1°
C21	C16	H28	H29	120.3°	119.9°
C16	C21	H39	H40	119.1°	120.0°
C17	C15	N3	H27	119.0°	120.0°
C17	C15	N3	C14	44.6°	89.2°
C17	C15	N3	H26	135.4°	90.8°
C15	C17	H30	H31	118.8°	120.0°
C15	C17	C18	H32	72.9°	54.5°
C17	C15	C21	H39	149.9°	55.0°
C17	C15	C21	H40	30.5°	65.0°
C15	N3	C14	H26	180.0°	180.0°
C15	N3	C14	O2	23.6°	5.1°
C15	N3	C14	C9	155.9°	175.0°
N3	C15	C17	H30	114.6°	54.3°
N3	C15	C17	H31	4.7°	65.7°
N3	C15	C21	H39	88.9°	175.0°
N3	C15	C21	H40	151.6°	55.0°
C16	S1	C22	O4	119.7°	114.5°
S1	C16	H28	H29	120.2°	120.0°
S1	C16	C21	H39	5.8°	60.0°
S1	C16	C21	H40	125.2°	60.0°
C16	S1	C22	H41	59.8°	60.0°
C16	S1	C22	H42	179.8°	180.0°
C16	S1	C22	H43	60.2°	60.0°
C22	S1	C16	H28	23.3°	60.0°
C22	S1	C16	H29	96.8°	60.0°
S1	C22	H41	H42	120.0°	120.0°
S1	C22	H41	H43	120.0°	120.0°
S1	C22	H42	H43	120.0°	120.0°
O4	S1	C16	H28	143.0°	174.4°
O4	S1	C16	H29	22.8°	54.4°
O4	S1	C22	H41	59.9°	54.5°
O4	S1	C22	H42	60.1°	65.5°
O4	S1	C22	H43	179.9°	174.5°
N3	C14	O2	C9	179.5°	179.9°
N3	C14	C9	C10	6.4°	60.0°
N3	C14	C9	N2	129.9°	180.0°
N3	C14	C9	H16	111.4°	60.1°
C14	N3	C15	H27	74.4°	30.8°
O2	C14	C9	C10	174.1°	120.0°
O2	C14	C9	N2	50.6°	0.0°
O2	C14	C9	H16	68.1°	120.0°
O2	C14	N3	H26	156.5°	175.0°
C14	C9	C10	N2	124.2°	120.0°
C14	C9	C10	H16	118.0°	120.0°
C14	C9	N2	H16	118.2°	119.9°
C14	C9	C10	C11	115.1°	175.0°
C14	C9	N2	C8	172.8°	154.9°
C14	C9	N2	H15	7.2°	25.0°
C14	C9	C10	H17	124.7°	65.0°
C14	C9	C10	H18	5.1°	55.0°
C9	C14	N3	H26	24.1°	5.0°
C10	C9	N2	H16	117.2°	120.1°
C9	C10	C11	C13	108.4°	65.0°
C9	C10	C11	H17	120.2°	120.0°
C9	C10	C11	H18	120.2°	120.0°
C10	C9	N2	C8	48.2°	85.1°
C9	C10	C11	C12	127.4°	175.0°
C10	C9	N2	H15	131.7°	95.0°
C9	C10	H17	H18	119.4°	120.1°
C9	C10	C11	H19	9.5°	55.0°
N2	C9	C10	C11	120.7°	65.0°
C9	N2	C8	H15	180.0°	179.9°
C9	N2	C8	O3	53.0°	4.8°
C9	N2	C8	C3	126.8°	175.1°
N2	C9	C10	H17	0.5°	54.9°
N2	C9	C10	H18	119.1°	175.0°
C13	C11	C10	C12	124.3°	120.0°
C13	C11	C10	H19	117.9°	120.0°
C13	C11	C12	H19	118.0°	120.0°
C13	C11	C10	H17	131.4°	175.0°
C13	C11	C10	H18	11.8°	55.0°
C13	C11	C12	H20	180.0°	60.0°
C13	C11	C12	H21	60.0°	60.0°
C13	C11	C12	H22	60.0°	180.0°
C11	C13	H23	H24	120.0°	119.9°
C11	C13	H23	H25	120.0°	120.0°
C11	C13	H24	H25	120.0°	120.0°
C10	C11	C12	H19	117.8°	120.0°
C11	C10	C9	H16	2.9°	55.0°
C11	C10	H17	H18	119.3°	119.9°
C10	C11	C12	H20	55.8°	60.0°
C10	C11	C12	H21	64.2°	180.0°
C10	C11	C12	H22	175.8°	60.0°
C10	C11	C13	H23	180.0°	60.0°
C10	C11	C13	H24	60.0°	60.0°
C10	C11	C13	H25	60.0°	180.0°
N2	C8	O3	C3	179.8°	179.9°
N2	C8	C3	C4	3.3°	79.4°
N2	C8	C3	N1	126.2°	160.7°
N2	C8	C3	H5	115.0°	40.6°
C8	N2	C9	H16	68.9°	35.0°
C12	C11	C10	H17	7.1°	55.0°
C12	C11	C10	H18	112.4°	65.0°
C11	C12	H20	H21	120.0°	120.0°
C11	C12	H20	H22	120.1°	120.0°
C11	C12	H21	H22	120.0°	120.0°
C12	C11	C13	H23	55.9°	60.0°
C12	C11	C13	H24	64.1°	180.0°
C12	C11	C13	H25	175.9°	60.0°
O3	C8	C3	C4	176.5°	100.7°
O3	C8	C3	N1	53.6°	19.2°
O3	C8	C3	H5	65.2°	139.3°
O3	C8	N2	H15	126.9°	175.2°
C8	C3	C4	N1	123.3°	119.9°
C8	C3	C4	H5	118.4°	120.1°
C8	C3	C4	C5	163.8°	65.1°
C8	C3	N1	H5	118.4°	120.1°
C8	C3	N1	C1	88.9°	150.7°
C8	C3	N1	H4	91.1°	29.3°
C8	C3	C4	H6	75.9°	174.9°
C8	C3	C4	H7	43.4°	54.9°
C3	C8	N2	H15	53.2°	4.9°
C7	C5	C4	C3	114.5°	175.5°
C7	C5	C4	C6	123.6°	120.0°
C7	C5	C4	H8	118.3°	120.0°
C7	C5	C6	H8	118.2°	120.0°
C7	C5	C4	H6	125.2°	64.5°
C7	C5	C4	H7	5.9°	55.4°
C7	C5	C6	H9	180.0°	64.6°
C7	C5	C6	H10	60.0°	175.4°
C7	C5	C6	H11	60.0°	55.5°
C5	C7	H12	H13	120.0°	120.0°
C5	C7	H12	H14	120.0°	120.0°
C5	C7	H13	H14	120.0°	120.0°
C3	C4	C5	H6	120.4°	120.0°
C3	C4	C5	H7	120.4°	120.1°
C4	C3	N1	H5	117.6°	120.0°
C3	C4	C5	C6	121.9°	64.6°
C4	C3	N1	C1	147.1°	89.4°
C4	C3	N1	H4	32.9°	90.6°
C3	C4	H6	H7	118.9°	120.0°
C3	C4	C5	H8	3.9°	55.4°
C5	C4	C3	N1	72.9°	174.9°
C4	C5	C6	H8	118.1°	120.0°
C5	C4	C3	H5	45.3°	55.0°
C5	C4	H6	H7	118.8°	120.0°
C4	C5	C6	H9	56.2°	175.4°
C4	C5	C6	H10	63.8°	55.5°
C4	C5	C6	H11	176.2°	64.5°
C4	C5	C7	H12	180.0°	60.0°
C4	C5	C7	H13	60.0°	180.0°
C4	C5	C7	H14	60.0°	60.0°
C3	N1	C1	H4	180.0°	180.0°
C3	N1	C1	C2	27.5°	174.7°
C3	N1	C1	O1	152.7°	5.1°
N1	C3	C4	H6	47.4°	54.9°
N1	C3	C4	H7	166.7°	65.0°
C6	C5	C4	H6	1.6°	55.4°
C6	C5	C4	H7	117.7°	175.4°
C5	C6	H9	H10	120.0°	120.0°
C5	C6	H9	H11	120.0°	120.1°
C5	C6	H10	H11	120.0°	120.0°
C6	C5	C7	H12	56.6°	180.0°
C6	C5	C7	H13	63.4°	60.0°
C6	C5	C7	H14	176.6°	60.0°
N1	C1	C2	O1	179.9°	179.8°
N1	C1	C2	H1	78.5°	59.8°
N1	C1	C2	H2	42.3°	60.2°
C1	N1	C3	H5	29.5°	30.6°
N1	C1	C2	C23	161.9°	179.7°
C1	C2	H1	H2	121.3°	120.0°
C1	C2	H1	C23	117.4°	120.0°
C1	C2	H2	C23	117.4°	120.0°
C2	C1	N1	H4	152.5°	5.3°
C1	C2	C23	C24	90.0°	180.0°
C1	C2	C23	H3	90.0°	60.1°
C1	C2	C23	H45	90.0°	60.0°
O1	C1	C2	H1	101.6°	120.0°
O1	C1	C2	H2	137.5°	120.0°
O1	C1	N1	H4	27.4°	174.9°
O1	C1	C2	C23	18.0°	0.0°
H1	C2	H2	C23	121.3°	120.0°
H1	C2	C23	C24	90.0°	60.0°
H1	C2	C23	H3	90.0°	180.0°
H1	C2	C23	H45	90.0°	60.0°
H2	C2	C23	C24	90.0°	60.0°
H2	C2	C23	H3	90.0°	59.9°
H2	C2	C23	H45	90.0°	180.0°
H4	N1	C3	H5	150.5°	149.4°
H5	C3	C4	H6	165.7°	65.1°
H5	C3	C4	H7	75.1°	175.0°
H6	C4	C5	H8	116.5°	175.4°
H7	C4	C5	H8	124.3°	64.6°
H8	C5	C6	H9	61.8°	55.4°
H8	C5	C6	H10	178.1°	64.6°
H8	C5	C6	H11	58.1°	175.5°
H8	C5	C7	H12	61.6°	60.0°
H8	C5	C7	H13	178.4°	60.0°
H8	C5	C7	H14	58.4°	179.9°
H9	C6	H10	H11	119.9°	119.9°
H12	C7	H13	H14	120.0°	120.0°
H15	N2	C9	H16	111.1°	144.9°
H16	C9	C10	H17	117.3°	175.0°
H16	C9	C10	H18	123.1°	64.9°
H17	C10	C11	H19	110.7°	65.0°
H18	C10	C11	H19	129.7°	175.0°
H19	C11	C12	H20	62.0°	180.0°
H19	C11	C12	H21	178.0°	60.0°
H19	C11	C12	H22	58.0°	60.1°
H19	C11	C13	H23	62.1°	180.0°
H19	C11	C13	H24	177.9°	60.0°
H19	C11	C13	H25	57.9°	59.9°
H20	C12	H21	H22	120.0°	120.0°
H23	C13	H24	H25	119.9°	120.1°
H26	N3	C15	H27	105.6°	149.2°
H27	C15	C17	H30	125.8°	65.8°
H27	C15	C17	H31	114.9°	174.3°
H27	C15	C21	H39	31.8°	64.9°
H27	C15	C21	H40	87.6°	175.1°
H28	C16	C21	H39	114.1°	180.0°
H28	C16	C21	H40	5.3°	60.0°
H29	C16	C21	H39	125.7°	60.0°
H29	C16	C21	H40	114.9°	180.0°
H30	C17	C18	H32	47.5°	174.5°
H31	C17	C18	H32	166.8°	65.6°
H32	C18	C19	H33	62.2°	65.2°
H32	C18	C19	H34	57.8°	54.7°
H32	C18	C19	H35	177.8°	174.8°
H32	C18	C20	H36	62.1°	180.0°
H32	C18	C20	H37	177.8°	59.9°
H32	C18	C20	H38	57.9°	60.0°
H33	C19	H34	H35	120.0°	120.0°
H36	C20	H37	H38	120.0°	120.0°
H41	C22	H42	H43	120.0°	120.0°
C2	C23	C24	H3	90.0°	120.0°
C2	C23	C24	H45	90.0°	119.9°
C2	C23	C24	C25	90.0°	180.0°
C2	C23	H3	H45	90.0°	120.0°
C2	C23	C24	H46	90.0°	60.0°
C2	C23	C24	H47	90.0°	60.0°
C23	C24	C25	H46	90.0°	120.1°
C23	C24	C25	H47	90.0°	119.9°
C23	C24	C25	C26	90.0°	180.0°
C24	C23	H3	H45	90.0°	120.0°
C23	C24	H46	H47	90.0°	119.9°
C23	C24	C25	H48	90.0°	59.9°
C23	C24	C25	H49	90.0°	60.1°
C24	C25	C26	H48	90.0°	120.1°
C24	C25	C26	H49	90.0°	120.0°
C24	C25	C26	C27	90.0°	180.0°
C25	C24	C23	H3	90.0°	60.0°
C25	C24	C23	H45	90.0°	60.1°
C25	C24	H46	H47	90.0°	120.0°
C24	C25	H48	H49	90.0°	120.0°
C24	C25	C26	H50	90.0°	59.9°
C24	C25	C26	H51	90.0°	60.1°
C25	C26	C27	H50	90.0°	120.1°
C25	C26	C27	H51	90.0°	120.0°
C25	C26	C27	N4	90.0°	180.0°
C26	C25	C24	H46	90.0°	59.9°
C26	C25	C24	H47	90.0°	60.1°
C26	C25	H48	H49	90.0°	119.9°
C25	C26	H50	H51	90.0°	120.0°
C25	C26	C27	H52	90.0°	60.0°
C25	C26	C27	H53	90.0°	60.0°
C26	C27	N4	H52	90.0°	120.0°
C26	C27	N4	H53	90.0°	120.0°
C26	C27	N4	C28	90.0°	180.0°
C27	C26	C25	H48	90.0°	60.0°
C27	C26	C25	H49	90.0°	60.0°
C27	C26	H50	H51	90.0°	119.9°
C26	C27	H52	H53	90.0°	119.9°
C26	C27	N4	H54	90.0°	0.0°
C27	N4	C28	H54	90.0°	180.0°
C27	N4	C28	O6	90.0°	0.0°
C27	N4	C28	C29	90.0°	180.0°
N4	C27	C26	H50	90.0°	60.0°
N4	C27	C26	H51	90.0°	60.0°
N4	C27	H52	H53	90.0°	120.0°
N4	C28	O6	C29	90.0°	180.0°
N4	C28	C29	C30	90.0°	180.0°
C28	N4	C27	H52	90.0°	60.0°
C28	N4	C27	H53	90.0°	60.0°
N4	C28	C29	H55	90.0°	60.0°
N4	C28	C29	H56	90.0°	60.0°
O6	C28	C29	C30	90.0°	0.0°
O6	C28	N4	H54	90.0°	180.0°
O6	C28	C29	H55	90.0°	120.0°
O6	C28	C29	H56	90.0°	120.0°
C28	C29	C30	H55	90.0°	120.1°
C28	C29	C30	H56	90.0°	120.0°
C28	C29	C30	C61	90.0°	180.0°
C29	C28	N4	H54	90.0°	0.0°
C28	C29	H55	H56	90.0°	120.0°
C28	C29	C30	H57	90.0°	59.9°
C28	C29	C30	H58	90.0°	60.0°
C29	C30	C61	H57	90.0°	120.1°
C29	C30	C61	H58	90.0°	119.9°
C29	C30	C61	C62	90.0°	180.0°
C30	C29	H55	H56	90.0°	119.9°
C29	C30	H57	H58	90.0°	119.9°
C29	C30	C61	H59	90.0°	59.9°
C29	C30	C61	H60	90.0°	60.1°
C30	C61	C62	H59	90.0°	120.0°
C30	C61	C62	H60	90.0°	119.9°
C30	C61	C62	C31	90.0°	180.0°
C61	C30	C29	H55	90.0°	59.9°
C61	C30	C29	H56	90.0°	60.0°
C61	C30	H57	H58	90.0°	120.0°
C30	C61	H59	H60	90.0°	119.9°
C30	C61	C62	H61	90.0°	60.0°
C30	C61	C62	H62	90.0°	60.0°
C61	C62	C31	H61	90.0°	119.9°
C61	C62	C31	H62	90.0°	120.0°
C61	C62	C31	N5	90.0°	180.0°
C62	C61	C30	H57	90.0°	60.0°
C62	C61	C30	H58	90.0°	60.0°
C62	C61	H59	H60	90.0°	120.1°
C61	C62	H61	H62	90.0°	120.0°
C61	C62	C31	H63	90.0°	60.0°
C61	C62	C31	H64	90.0°	60.0°
C62	C31	N5	H63	90.0°	120.0°
C62	C31	N5	H64	90.0°	120.1°
C62	C31	N5	C32	90.0°	180.0°
C31	C62	C61	H59	90.0°	60.0°
C31	C62	C61	H60	90.0°	60.0°
C31	C62	H61	H62	90.0°	120.1°
C62	C31	H63	H64	90.0°	120.0°
C62	C31	N5	H65	90.0°	0.1°
C31	N5	C32	H65	90.0°	180.0°
C31	N5	C32	C33	90.0°	180.0°
C31	N5	C32	O7	90.0°	0.0°
N5	C31	C62	H61	90.0°	60.1°
N5	C31	C62	H62	90.0°	60.0°
N5	C31	H63	H64	90.0°	120.0°
N5	C32	C33	O7	90.0°	180.0°
N5	C32	C33	C34	90.0°	180.0°
C32	N5	C31	H63	90.0°	60.0°
C32	N5	C31	H64	90.0°	59.9°
N5	C32	C33	H66	90.0°	60.0°
N5	C32	C33	H67	90.0°	59.9°
C32	C33	C34	H66	90.0°	120.0°
C32	C33	C34	H67	90.0°	120.0°
C32	C33	C34	C35	90.0°	180.0°
C33	C32	N5	H65	90.0°	0.0°
C32	C33	H66	H67	90.0°	120.0°
C32	C33	C34	H68	90.0°	60.0°
C32	C33	C34	H69	90.0°	60.0°
O7	C32	C33	C34	90.0°	0.0°
O7	C32	N5	H65	90.0°	180.0°
O7	C32	C33	H66	90.0°	120.0°
O7	C32	C33	H67	90.0°	120.1°
C33	C34	C35	H68	90.0°	120.0°
C33	C34	C35	H69	90.0°	120.0°
C33	C34	C35	C36	90.0°	180.0°
C34	C33	H66	H67	90.0°	120.0°
C33	C34	H68	H69	90.0°	120.0°
C33	C34	C35	H70	90.0°	60.0°
C33	C34	C35	H71	90.0°	60.0°
C34	C35	C36	H70	90.0°	120.0°
C34	C35	C36	H71	90.0°	119.9°
C34	C35	C36	C37	90.0°	180.0°
C35	C34	C33	H66	90.0°	60.0°
C35	C34	C33	H67	90.0°	60.0°
C35	C34	H68	H69	90.0°	120.1°
C34	C35	H70	H71	90.0°	120.0°
C34	C35	C36	H72	90.0°	60.0°
C34	C35	C36	H73	90.0°	60.0°
C35	C36	C37	H72	90.0°	120.1°
C35	C36	C37	H73	90.0°	120.0°
C35	C36	C37	N6	90.0°	180.0°
C36	C35	C34	H68	90.0°	60.0°
C36	C35	C34	H69	90.0°	60.0°
C36	C35	H70	H71	90.0°	120.0°
C35	C36	H72	H73	90.0°	120.0°
C35	C36	C37	H74	90.0°	59.9°
C35	C36	C37	H75	90.0°	60.1°
C36	C37	N6	H74	90.0°	120.1°
C36	C37	N6	H75	90.0°	120.0°
C36	C37	N6	C38	90.0°	180.0°
C37	C36	C35	H70	90.0°	59.9°
C37	C36	C35	H71	90.0°	60.1°
C37	C36	H72	H73	90.0°	120.0°
C36	C37	H74	H75	90.0°	120.0°
C36	C37	N6	H76	90.0°	0.1°
C37	N6	C38	H76	90.0°	179.9°
C37	N6	C38	C39	90.0°	179.9°
C37	N6	C38	O8	90.0°	0.0°
N6	C37	C36	H72	90.0°	59.9°
N6	C37	C36	H73	90.0°	60.0°
N6	C37	H74	H75	90.0°	119.9°
N6	C38	C39	O8	90.0°	180.0°
N6	C38	C39	C40	90.0°	180.0°
C38	N6	C37	H74	90.0°	59.9°
C38	N6	C37	H75	90.0°	60.0°
N6	C38	C39	H77	90.0°	60.1°
N6	C38	C39	H78	90.0°	60.0°
C38	C39	C40	H77	90.0°	119.9°
C38	C39	C40	H78	90.0°	120.0°
C38	C39	C40	C42	90.0°	180.0°
C38	C39	C40	C43	90.0°	60.0°
C38	C39	C40	C44	90.0°	60.0°
C39	C38	N6	H76	90.0°	0.0°
C38	C39	H77	H78	90.0°	120.1°
O8	C38	C39	C40	90.0°	0.0°
O8	C38	N6	H76	90.0°	179.9°
O8	C38	C39	H77	90.0°	120.0°
O8	C38	C39	H78	90.0°	120.0°
C39	C40	C42	C43	90.0°	120.0°
C39	C40	C42	C44	90.0°	120.0°
C39	C40	C43	C44	90.0°	120.1°
C39	C40	C42	C52	90.0°	180.0°
C39	C40	C43	C47	90.0°	179.9°
C39	C40	C44	C49	90.0°	180.0°
C40	C39	H77	H78	90.0°	120.0°
C39	C40	C42	H79	90.0°	59.9°
C39	C40	C42	H80	90.0°	60.0°
C39	C40	C43	H81	90.0°	60.0°
C39	C40	C43	H82	90.0°	60.1°
C39	C40	C44	H83	90.0°	60.0°
C39	C40	C44	H84	90.0°	60.0°
C42	C40	C43	C44	90.0°	119.9°
C40	C42	C52	H79	90.0°	120.0°
C40	C42	C52	H80	90.0°	120.0°
C42	C40	C43	C47	90.0°	59.9°
C40	C42	C52	C51	90.0°	60.0°
C42	C40	C44	C49	90.0°	60.0°
C40	C42	C52	C50	90.0°	60.0°
C40	C42	C52	H44	90.0°	180.0°
C42	C40	C39	H77	90.0°	60.0°
C42	C40	C39	H78	90.0°	60.0°
C40	C42	H79	H80	90.0°	119.9°
C42	C40	C43	H81	90.0°	60.0°
C42	C40	C43	H82	90.0°	179.9°
C42	C40	C44	H83	90.0°	180.0°
C42	C40	C44	H84	90.0°	60.0°
C43	C40	C42	C52	90.0°	60.0°
C40	C43	C47	H81	90.0°	119.9°
C40	C43	C47	H82	90.0°	120.0°
C40	C43	C47	C48	90.0°	60.0°
C43	C40	C44	C49	90.0°	60.0°
C40	C43	C47	C50	90.0°	60.0°
C43	C40	C39	H77	90.0°	180.0°
C43	C40	C39	H78	90.0°	60.0°
C43	C40	C42	H79	90.0°	179.9°
C43	C40	C42	H80	90.0°	60.0°
C40	C43	H81	H82	90.0°	120.0°
C43	C40	C44	H83	90.0°	60.0°
C43	C40	C44	H84	90.0°	180.0°
C40	C43	C47	H85	90.0°	180.0°
C44	C40	C42	C52	90.0°	60.0°
C44	C40	C43	C47	90.0°	60.0°
C40	C44	C49	C48	90.0°	60.0°
C40	C44	C49	C51	90.0°	60.0°
C40	C44	C49	H83	90.0°	120.0°
C40	C44	C49	H84	90.0°	120.0°
C44	C40	C39	H77	90.0°	59.9°
C44	C40	C39	H78	90.0°	180.0°
C44	C40	C42	H79	90.0°	60.1°
C44	C40	C42	H80	90.0°	180.0°
C44	C40	C43	H81	90.0°	179.9°
C44	C40	C43	H82	90.0°	60.0°
C40	C44	H83	H84	90.0°	120.0°
C40	C44	C49	H90	90.0°	180.0°
C42	C52	C51	C50	90.0°	120.0°
C42	C52	C51	H44	90.0°	120.0°
C42	C52	C51	C49	90.0°	60.0°
C42	C52	C50	C47	90.0°	60.0°
C42	C52	C50	H44	90.0°	120.0°
C52	C42	H79	H80	90.0°	120.0°
C42	C52	C51	H88	90.0°	180.0°
C42	C52	C51	H89	90.0°	60.0°
C42	C52	C50	H91	90.0°	60.0°
C42	C52	C50	H92	90.0°	180.0°
C43	C47	C48	C50	90.0°	120.0°
C43	C47	C48	H85	90.0°	120.0°
C43	C47	C48	C49	90.0°	60.0°
C43	C47	C50	H85	90.0°	120.0°
C43	C47	C50	C52	90.0°	60.0°
C47	C43	H81	H82	90.0°	120.0°
C43	C47	C48	H86	90.0°	180.0°
C43	C47	C48	H87	90.0°	59.9°
C43	C47	C50	H91	90.0°	60.0°
C43	C47	C50	H92	90.0°	180.0°
C47	C48	C49	H86	90.0°	120.0°
C47	C48	C49	H87	90.0°	120.0°
C47	C48	C49	C51	90.0°	60.0°
C47	C48	C49	C44	90.0°	60.0°
C48	C47	C50	H85	90.0°	120.0°
C48	C47	C50	C52	90.0°	60.0°
C48	C47	C43	H81	90.0°	180.0°
C48	C47	C43	H82	90.0°	59.9°
C47	C48	H86	H87	90.0°	120.1°
C47	C48	C49	H90	90.0°	180.0°
C48	C47	C50	H91	90.0°	180.0°
C48	C47	C50	H92	90.0°	60.0°
C52	C51	C49	C48	90.0°	60.0°
C52	C51	C49	H88	90.0°	120.0°
C52	C51	C49	H89	90.0°	120.0°
C52	C51	C49	C44	90.0°	60.0°
C51	C52	C50	C47	90.0°	60.0°
C51	C52	C50	H44	90.0°	120.0°
C51	C52	C42	H79	90.0°	60.0°
C51	C52	C42	H80	90.0°	180.0°
C52	C51	H88	H89	90.0°	120.0°
C52	C51	C49	H90	90.0°	179.9°
C51	C52	C50	H91	90.0°	180.0°
C51	C52	C50	H92	90.0°	60.0°
C48	C49	C51	C44	90.0°	120.0°
C48	C49	C51	H90	90.0°	120.1°
C48	C49	C44	H90	90.0°	120.0°
C49	C48	C47	C50	90.0°	60.0°
C48	C49	C44	H83	90.0°	60.0°
C48	C49	C44	H84	90.0°	180.0°
C49	C48	C47	H85	90.0°	180.0°
C49	C48	H86	H87	90.0°	120.0°
C48	C49	C51	H88	90.0°	60.0°
C48	C49	C51	H89	90.0°	180.0°
C51	C49	C44	H90	90.0°	119.9°
C49	C51	C52	C50	90.0°	60.0°
C49	C51	C52	H44	90.0°	180.0°
C51	C49	C44	H83	90.0°	179.9°
C51	C49	C44	H84	90.0°	60.0°
C51	C49	C48	H86	90.0°	60.0°
C51	C49	C48	H87	90.0°	180.0°
C49	C51	H88	H89	90.0°	120.1°
C49	C44	H83	H84	90.0°	120.0°
C44	C49	C48	H86	90.0°	180.0°
C44	C49	C48	H87	90.0°	60.0°
C44	C49	C51	H88	90.0°	180.0°
C44	C49	C51	H89	90.0°	60.0°
C47	C50	C52	H91	90.0°	120.0°
C47	C50	C52	H92	90.0°	120.0°
C47	C50	C52	H44	90.0°	180.0°
C50	C47	C43	H81	90.0°	60.0°
C50	C47	C43	H82	90.0°	180.0°
C50	C47	C48	H86	90.0°	60.0°
C50	C47	C48	H87	90.0°	180.0°
C47	C50	H91	H92	90.0°	119.9°
C50	C52	C42	H79	90.0°	180.0°
C50	C52	C42	H80	90.0°	60.0°
C52	C50	C47	H85	90.0°	180.0°
C50	C52	C51	H88	90.0°	60.0°
C50	C52	C51	H89	90.0°	180.0°
C52	C50	H91	H92	90.0°	120.1°
H44	C52	C42	H79	90.0°	60.0°
H44	C52	C42	H80	90.0°	60.0°
H44	C52	C51	H88	90.0°	60.0°
H44	C52	C51	H89	90.0°	60.0°
H44	C52	C50	H91	90.0°	60.0°
H44	C52	C50	H92	90.0°	60.0°
H3	C23	C24	H46	90.0°	180.0°
H3	C23	C24	H47	90.0°	60.0°
H45	C23	C24	H46	90.0°	60.0°
H45	C23	C24	H47	90.0°	179.9°
H46	C24	C25	H48	90.0°	180.0°
H46	C24	C25	H49	90.0°	60.0°
H47	C24	C25	H48	90.0°	60.0°
H47	C24	C25	H49	90.0°	180.0°
H48	C25	C26	H50	90.0°	180.0°
H48	C25	C26	H51	90.0°	60.0°
H49	C25	C26	H50	90.0°	60.0°
H49	C25	C26	H51	90.0°	180.0°
H50	C26	C27	H52	90.0°	180.0°
H50	C26	C27	H53	90.0°	60.1°
H51	C26	C27	H52	90.0°	60.0°
H51	C26	C27	H53	90.0°	180.0°
H52	C27	N4	H54	90.0°	120.0°
H53	C27	N4	H54	90.0°	120.0°
H55	C29	C30	H57	90.0°	180.0°
H55	C29	C30	H58	90.0°	60.0°
H56	C29	C30	H57	90.0°	60.0°
H56	C29	C30	H58	90.0°	180.0°
H57	C30	C61	H59	90.0°	180.0°
H57	C30	C61	H60	90.0°	60.0°
H58	C30	C61	H59	90.0°	60.0°
H58	C30	C61	H60	90.0°	180.0°
H59	C61	C62	H61	90.0°	179.9°
H59	C61	C62	H62	90.0°	60.0°
H60	C61	C62	H61	90.0°	59.9°
H60	C61	C62	H62	90.0°	179.9°
H61	C62	C31	H63	90.0°	180.0°
H61	C62	C31	H64	90.0°	60.0°
H62	C62	C31	H63	90.0°	60.0°
H62	C62	C31	H64	90.0°	180.0°
H63	C31	N5	H65	90.0°	120.0°
H64	C31	N5	H65	90.0°	120.0°
H66	C33	C34	H68	90.0°	180.0°
H66	C33	C34	H69	90.0°	60.0°
H67	C33	C34	H68	90.0°	60.0°
H67	C33	C34	H69	90.0°	180.0°
H68	C34	C35	H70	90.0°	180.0°
H68	C34	C35	H71	90.0°	60.0°
H69	C34	C35	H70	90.0°	60.0°
H69	C34	C35	H71	90.0°	180.0°
H70	C35	C36	H72	90.0°	180.0°
H70	C35	C36	H73	90.0°	60.0°
H71	C35	C36	H72	90.0°	60.0°
H71	C35	C36	H73	90.0°	180.0°
H72	C36	C37	H74	90.0°	180.0°
H72	C36	C37	H75	90.0°	60.0°
H73	C36	C37	H74	90.0°	60.0°
H73	C36	C37	H75	90.0°	180.0°
H74	C37	N6	H76	90.0°	120.0°
H75	C37	N6	H76	90.0°	120.1°
H81	C43	C47	H85	90.0°	60.1°
H82	C43	C47	H85	90.0°	60.0°
H83	C44	C49	H90	90.0°	60.0°
H84	C44	C49	H90	90.0°	60.0°
H85	C47	C48	H86	90.0°	60.0°
H85	C47	C48	H87	90.0°	60.0°
H85	C47	C50	H91	90.0°	60.0°
H85	C47	C50	H92	90.0°	59.9°
H86	C48	C49	H90	90.0°	60.0°
H87	C48	C49	H90	90.0°	60.0°
H88	C51	C49	H90	90.0°	60.1°
H89	C51	C49	H90	90.0°	60.0°

Release date:	2015-12-29
Definition date:	2015-05-12
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	5A0Q