KXP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O45	P42	doub	1.48Å	1.51Å
O40	P37	doub	1.48Å	1.51Å
O44	P42	sing	1.61Å	1.51Å
P42	O43	sing	1.61Å	1.51Å
P42	O41	sing	1.61Å	1.65Å
O41	C32	sing	1.43Å	1.40Å
P37	O39	sing	1.61Å	1.51Å
P37	O38	sing	1.61Å	1.51Å
P37	O36	sing	1.61Å	1.65Å
O36	C33	sing	1.43Å	1.40Å
C32	C33	sing	1.53Å	1.54Å
C32	C31	sing	1.53Å	1.53Å
C33	C34	sing	1.53Å	1.54Å
O46	C31	sing	1.43Å	1.41Å
C31	C30	sing	1.53Å	1.54Å
C34	O35	sing	1.43Å	1.41Å
C34	C29	sing	1.53Å	1.53Å
C30	O47	sing	1.43Å	1.40Å
C30	C29	sing	1.53Å	1.54Å
C29	O28	sing	1.43Å	1.41Å
O28	P25	sing	1.61Å	1.65Å
O26	P25	doub	1.48Å	1.51Å
P25	O27	sing	1.61Å	1.51Å
P25	O24	sing	1.61Å	1.65Å
O24	C23	sing	1.43Å	1.40Å
C23	C22	sing	1.53Å	1.53Å
O48	C22	sing	1.45Å	1.40Å
O48	C49	sing	1.34Å	1.40Å
C22	C21	sing	1.53Å	1.53Å
C21	O20	sing	1.45Å	1.40Å
C49	O50	doub	1.21Å	1.18Å
O20	C18	sing	1.34Å	1.40Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C22	H221	sing	1.09Å	1.10Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C29	H291	sing	1.09Å	1.10Å
C30	H301	sing	1.09Å	1.10Å
C31	H311	sing	1.09Å	1.10Å
C32	H321	sing	1.09Å	1.10Å
C33	H331	sing	1.09Å	1.10Å
C34	H341	sing	1.09Å	1.10Å
O27	H7	sing	0.97Å	0.95Å
O35	H351	sing	0.97Å	0.95Å
O38	H8	sing	0.97Å	0.95Å
O39	H9	sing	0.97Å	0.95Å
O43	H10	sing	0.97Å	0.95Å
O44	H11	sing	0.97Å	0.95Å
O46	H461	sing	0.97Å	0.95Å
O47	H471	sing	0.97Å	0.95Å
C18	C1	sing	1.51Å	234.96Å
C1	C2	sing	1.53Å	0.00Å
C2	C4	sing	1.53Å	0.00Å
C4	C5	sing	1.53Å	0.00Å
C5	C3	sing	1.53Å	0.00Å
C3	C6	sing	1.53Å	0.00Å
C6	C7	sing	1.53Å	0.00Å
C7	C8	sing	1.53Å	0.00Å
C8	C9	sing	1.53Å	0.00Å
C9	C10	sing	1.53Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C11	C12	sing	1.53Å	0.00Å
C12	C13	sing	1.53Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C1	H12	sing	1.09Å	0.00Å
C2	H13	sing	1.09Å	0.00Å
C2	H14	sing	1.09Å	0.00Å
C4	H15	sing	1.09Å	0.00Å
C4	H16	sing	1.09Å	0.00Å
C5	H17	sing	1.09Å	0.00Å
C5	H18	sing	1.09Å	0.00Å
C3	H19	sing	1.09Å	0.00Å
C3	H20	sing	1.09Å	0.00Å
C6	H21	sing	1.09Å	0.00Å
C6	H22	sing	1.09Å	0.00Å
C7	H23	sing	1.09Å	0.00Å
C7	H24	sing	1.09Å	0.00Å
C8	H25	sing	1.09Å	0.00Å
C8	H26	sing	1.09Å	0.00Å
C9	H27	sing	1.09Å	0.00Å
C9	H28	sing	1.09Å	0.00Å
C10	H29	sing	1.09Å	0.00Å
C10	H30	sing	1.09Å	0.00Å
C11	H31	sing	1.09Å	0.00Å
C11	H32	sing	1.09Å	0.00Å
C12	H33	sing	1.09Å	0.00Å
C12	H34	sing	1.09Å	0.00Å
C13	H35	sing	1.09Å	0.00Å
C13	H36	sing	1.09Å	0.00Å
C14	H37	sing	1.09Å	0.00Å
C14	H38	sing	1.09Å	0.00Å
C15	H39	sing	1.09Å	0.00Å
C15	H40	sing	1.09Å	0.00Å
C18	O1	doub	1.21Å	234.96Å
C15	C16	sing	1.53Å	0.00Å
C16	C19	sing	1.53Å	0.00Å
C49	C17	sing	1.51Å	234.10Å
C17	C20	sing	1.53Å	0.00Å
C20	C24	sing	1.53Å	0.00Å
C24	C25	sing	1.51Å	0.00Å
C25	C26	doub	1.31Å	0.00Å
C26	C27	sing	1.51Å	0.00Å
C27	C28	sing	1.51Å	0.00Å
C28	C35	doub	1.31Å	0.00Å
C35	C36	sing	1.51Å	0.00Å
C36	C37	sing	1.51Å	0.00Å
C37	C38	doub	1.31Å	0.00Å
C38	C39	sing	1.51Å	0.00Å
C39	C40	sing	1.51Å	0.00Å
C40	C41	doub	1.31Å	0.00Å
C41	C42	sing	1.51Å	0.00Å
C42	C43	sing	1.53Å	0.00Å
C43	C44	sing	1.53Å	0.00Å
C44	C45	sing	1.53Å	0.00Å
C45	C46	sing	1.53Å	0.00Å
C16	H1	sing	1.09Å	0.00Å
C16	H2	sing	1.09Å	0.00Å
C19	H4	sing	1.09Å	0.00Å
C19	H5	sing	1.09Å	0.00Å
C19	H6	sing	1.09Å	0.00Å
C17	H41	sing	1.09Å	0.00Å
C17	H42	sing	1.09Å	0.00Å
C20	H43	sing	1.09Å	0.00Å
C20	H44	sing	1.09Å	0.00Å
C24	H45	sing	1.09Å	0.00Å
C24	H46	sing	1.09Å	0.00Å
C25	H47	sing	1.08Å	0.00Å
C26	H49	sing	1.08Å	0.00Å
C27	H51	sing	1.09Å	0.00Å
C27	H52	sing	1.09Å	0.00Å
C28	H53	sing	1.08Å	0.00Å
C35	H55	sing	1.08Å	0.00Å
C36	H57	sing	1.09Å	0.00Å
C36	H58	sing	1.09Å	0.00Å
C37	H59	sing	1.08Å	0.00Å
C38	H61	sing	1.08Å	0.00Å
C39	H63	sing	1.09Å	0.00Å
C39	H64	sing	1.09Å	0.00Å
C40	H65	sing	1.08Å	0.00Å
C41	H67	sing	1.08Å	0.00Å
C42	H69	sing	1.09Å	0.00Å
C42	H70	sing	1.09Å	0.00Å
C43	H71	sing	1.09Å	0.00Å
C43	H72	sing	1.09Å	0.00Å
C44	H73	sing	1.09Å	0.00Å
C44	H74	sing	1.09Å	0.00Å
C45	H75	sing	1.09Å	0.00Å
C45	H76	sing	1.09Å	0.00Å
C46	H77	sing	1.09Å	0.00Å
C46	H78	sing	1.09Å	0.00Å
C46	H79	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O45	P42	O44	109.5°	109.5°
O45	P42	O43	109.5°	109.5°
O45	P42	O41	109.5°	109.4°
O40	P37	O39	109.5°	109.5°
O40	P37	O38	109.5°	109.5°
O40	P37	O36	109.5°	109.5°
O44	P42	O43	109.5°	109.5°
O44	P42	O41	109.5°	109.5°
P42	O44	H11	109.5°	114.0°
O43	P42	O41	109.4°	109.5°
P42	O43	H10	109.5°	114.0°
P42	O41	C32	118.5°	123.0°
O41	C32	C33	108.9°	109.5°
O41	C32	C31	108.9°	109.5°
O41	C32	H321	110.2°	109.5°
O39	P37	O38	109.5°	109.5°
O39	P37	O36	109.5°	109.5°
P37	O39	H9	109.5°	114.0°
O38	P37	O36	109.4°	109.4°
P37	O38	H8	109.5°	114.0°
P37	O36	C33	118.4°	122.9°
O36	C33	C32	108.9°	109.4°
O36	C33	C34	108.9°	109.5°
O36	C33	H331	110.2°	109.5°
C33	C32	C31	112.1°	109.5°
C32	C33	C34	112.0°	109.4°
C33	C32	H321	108.4°	109.4°
C32	C33	H331	108.4°	109.5°
C32	C31	O46	108.9°	109.5°
C32	C31	C30	112.0°	109.5°
C32	C31	H311	108.5°	109.5°
C31	C32	H321	108.4°	109.5°
C33	C34	O35	108.9°	109.4°
C33	C34	C29	112.0°	109.5°
C34	C33	H331	108.4°	109.5°
C33	C34	H341	108.4°	109.5°
O46	C31	C30	108.9°	109.5°
O46	C31	H311	110.2°	109.4°
C31	O46	H461	109.5°	114.0°
C31	C30	O47	108.9°	109.5°
C31	C30	C29	112.0°	109.5°
C31	C30	H301	108.4°	109.5°
C30	C31	H311	108.4°	109.5°
O35	C34	C29	108.9°	109.4°
O35	C34	H341	110.1°	109.4°
C34	O35	H351	109.5°	114.0°
C34	C29	C30	112.1°	109.4°
C34	C29	O28	108.9°	109.5°
C34	C29	H291	108.4°	109.5°
C29	C34	H341	108.5°	109.5°
O47	C30	C29	108.9°	109.5°
O47	C30	H301	110.2°	109.5°
C30	O47	H471	109.5°	114.0°
C30	C29	O28	108.8°	109.5°
C30	C29	H291	108.4°	109.5°
C29	C30	H301	108.4°	109.4°
C29	O28	P25	118.4°	123.0°
O28	C29	H291	110.2°	109.4°
O28	P25	O26	109.4°	109.5°
O28	P25	O27	109.5°	109.5°
O28	P25	O24	109.4°	109.5°
O26	P25	O27	109.6°	109.5°
O26	P25	O24	109.4°	109.5°
O27	P25	O24	109.5°	109.5°
P25	O27	H7	109.5°	114.0°
P25	O24	C23	118.5°	123.0°
O24	C23	C22	108.7°	109.5°
O24	C23	H231	109.7°	109.5°
O24	C23	H232	109.7°	109.4°
C23	C22	O48	108.2°	109.5°
C23	C22	C21	112.7°	109.5°
C23	C22	H221	108.8°	109.5°
C22	C23	H231	109.7°	109.5°
C22	C23	H232	109.7°	109.5°
C22	O48	C49	113.9°	117.0°
O48	C22	C21	107.9°	109.5°
O48	C22	H221	110.6°	109.5°
O48	C49	O50	120.0°	120.0°
O48	C49	C17	67.9°	120.0°
C22	C21	O20	108.4°	109.5°
C22	C21	H211	109.7°	109.5°
C22	C21	H212	109.7°	109.5°
C21	C22	H221	108.7°	109.4°
C21	O20	C18	113.9°	117.0°
O20	C21	H211	109.7°	109.4°
O20	C21	H212	109.7°	109.5°
O50	C49	C17	113.0°	120.0°
O20	C18	C1	96.6°	120.0°
O20	C18	O1	96.6°	120.0°
H211	C21	H212	109.5°	109.4°
H231	C23	H232	109.5°	109.5°
C18	C1	C2	90.0°	109.5°
C18	C1	H3	90.0°	109.5°
C18	C1	H12	90.0°	109.5°
C1	C18	O1	0.0°	120.0°
C1	C2	C4	90.0°	109.5°
C2	C1	H3	90.0°	109.5°
C2	C1	H12	90.0°	109.4°
C1	C2	H13	90.0°	109.5°
C1	C2	H14	90.0°	109.4°
C2	C4	C5	90.0°	109.5°
C4	C2	H13	90.0°	109.5°
C4	C2	H14	90.0°	109.5°
C2	C4	H15	90.0°	109.5°
C2	C4	H16	90.0°	109.5°
C4	C5	C3	90.0°	109.5°
C5	C4	H15	90.0°	109.5°
C5	C4	H16	90.0°	109.4°
C4	C5	H17	90.0°	109.5°
C4	C5	H18	90.0°	109.4°
C5	C3	C6	90.0°	109.5°
C3	C5	H17	90.0°	109.5°
C3	C5	H18	90.0°	109.5°
C5	C3	H19	90.0°	109.5°
C5	C3	H20	90.0°	109.5°
C3	C6	C7	90.0°	109.5°
C6	C3	H19	90.0°	109.5°
C6	C3	H20	90.0°	109.5°
C3	C6	H21	90.0°	109.5°
C3	C6	H22	90.0°	109.5°
C6	C7	C8	90.0°	109.5°
C7	C6	H21	90.0°	109.5°
C7	C6	H22	90.0°	109.5°
C6	C7	H23	90.0°	109.5°
C6	C7	H24	90.0°	109.5°
C7	C8	C9	90.0°	109.4°
C8	C7	H23	90.0°	109.5°
C8	C7	H24	90.0°	109.5°
C7	C8	H25	90.0°	109.5°
C7	C8	H26	90.0°	109.5°
C8	C9	C10	90.0°	109.5°
C9	C8	H25	90.0°	109.5°
C9	C8	H26	90.0°	109.5°
C8	C9	H27	90.0°	109.5°
C8	C9	H28	90.0°	109.5°
C9	C10	C11	90.0°	109.5°
C10	C9	H27	90.0°	109.5°
C10	C9	H28	90.0°	109.4°
C9	C10	H29	90.0°	109.5°
C9	C10	H30	90.0°	109.4°
C10	C11	C12	90.0°	109.5°
C11	C10	H29	90.0°	109.5°
C11	C10	H30	90.0°	109.5°
C10	C11	H31	90.0°	109.5°
C10	C11	H32	90.0°	109.5°
C11	C12	C13	90.0°	109.5°
C12	C11	H31	90.0°	109.5°
C12	C11	H32	90.0°	109.5°
C11	C12	H33	90.0°	109.5°
C11	C12	H34	90.0°	109.5°
C12	C13	C14	90.0°	109.5°
C13	C12	H33	90.0°	109.5°
C13	C12	H34	90.0°	109.5°
C12	C13	H35	90.0°	109.5°
C12	C13	H36	90.0°	109.5°
C13	C14	C15	90.0°	109.5°
C14	C13	H35	90.0°	109.4°
C14	C13	H36	90.0°	109.5°
C13	C14	H37	90.0°	109.5°
C13	C14	H38	90.0°	109.5°
C15	C14	H37	90.0°	109.5°
C15	C14	H38	90.0°	109.4°
C14	C15	H39	90.0°	109.5°
C14	C15	H40	90.0°	109.4°
C14	C15	C16	90.0°	109.5°
H3	C1	H12	90.0°	109.5°
H13	C2	H14	90.0°	109.5°
H15	C4	H16	90.0°	109.5°
H17	C5	H18	90.0°	109.5°
H19	C3	H20	90.0°	109.5°
H21	C6	H22	90.0°	109.5°
H23	C7	H24	90.0°	109.5°
H25	C8	H26	90.0°	109.5°
H27	C9	H28	90.0°	109.5°
H29	C10	H30	90.0°	109.5°
H31	C11	H32	90.0°	109.4°
H33	C12	H34	90.0°	109.5°
H35	C13	H36	90.0°	109.5°
H37	C14	H38	90.0°	109.4°
H39	C15	H40	90.0°	109.5°
H39	C15	C16	90.0°	109.5°
H40	C15	C16	90.0°	109.5°
C15	C16	C19	90.0°	109.4°
C15	C16	H1	90.0°	109.4°
C15	C16	H2	90.0°	109.5°
C19	C16	H1	90.0°	109.5°
C19	C16	H2	90.0°	109.5°
C16	C19	H4	90.0°	109.5°
C16	C19	H5	90.0°	109.5°
C16	C19	H6	90.0°	109.5°
C49	C17	C20	90.0°	109.5°
C49	C17	H41	90.0°	109.4°
C49	C17	H42	90.0°	109.4°
C17	C20	C24	90.0°	109.4°
C20	C17	H41	90.0°	109.5°
C20	C17	H42	90.0°	109.5°
C17	C20	H43	90.0°	109.5°
C17	C20	H44	90.0°	109.4°
C20	C24	C25	90.0°	109.4°
C24	C20	H43	90.0°	109.5°
C24	C20	H44	90.0°	109.5°
C20	C24	H45	90.0°	109.5°
C20	C24	H46	90.0°	109.5°
C24	C25	C26	90.0°	120.0°
C25	C24	H45	90.0°	109.5°
C25	C24	H46	90.0°	109.4°
C24	C25	H47	90.0°	120.0°
C25	C26	C27	90.0°	120.0°
C26	C25	H47	90.0°	120.0°
C25	C26	H49	90.0°	120.0°
C26	C27	C28	90.0°	109.5°
C27	C26	H49	90.0°	120.1°
C26	C27	H51	90.0°	109.5°
C26	C27	H52	90.0°	109.5°
C27	C28	C35	90.0°	120.0°
C28	C27	H51	90.0°	109.4°
C28	C27	H52	90.0°	109.4°
C27	C28	H53	90.0°	120.0°
C28	C35	C36	90.0°	120.0°
C35	C28	H53	90.0°	120.0°
C28	C35	H55	90.0°	120.0°
C35	C36	C37	90.0°	109.5°
C36	C35	H55	90.0°	120.0°
C35	C36	H57	90.0°	109.5°
C35	C36	H58	90.0°	109.5°
C36	C37	C38	90.0°	120.0°
C37	C36	H57	90.0°	109.4°
C37	C36	H58	90.0°	109.4°
C36	C37	H59	90.0°	120.0°
C37	C38	C39	90.0°	120.0°
C38	C37	H59	90.0°	120.0°
C37	C38	H61	90.0°	120.0°
C38	C39	C40	90.0°	109.4°
C39	C38	H61	90.0°	120.0°
C38	C39	H63	90.0°	109.5°
C38	C39	H64	90.0°	109.4°
C39	C40	C41	90.0°	120.0°
C40	C39	H63	90.0°	109.5°
C40	C39	H64	90.0°	109.4°
C39	C40	H65	90.0°	120.0°
C40	C41	C42	90.0°	120.0°
C41	C40	H65	90.0°	120.0°
C40	C41	H67	90.0°	120.0°
C41	C42	C43	90.0°	109.5°
C42	C41	H67	90.0°	120.0°
C41	C42	H69	90.0°	109.5°
C41	C42	H70	90.0°	109.5°
C42	C43	C44	90.0°	109.5°
C43	C42	H69	90.0°	109.4°
C43	C42	H70	90.0°	109.5°
C42	C43	H71	90.0°	109.5°
C42	C43	H72	90.0°	109.5°
C43	C44	C45	90.0°	109.5°
C44	C43	H71	90.0°	109.5°
C44	C43	H72	90.0°	109.5°
C43	C44	H73	90.0°	109.5°
C43	C44	H74	90.0°	109.5°
C44	C45	C46	90.0°	109.5°
C45	C44	H73	90.0°	109.5°
C45	C44	H74	90.0°	109.5°
C44	C45	H75	90.0°	109.5°
C44	C45	H76	90.0°	109.5°
C46	C45	H75	90.0°	109.5°
C46	C45	H76	90.0°	109.5°
C45	C46	H77	90.0°	109.5°
C45	C46	H78	90.0°	109.5°
C45	C46	H79	90.0°	109.5°
H1	C16	H2	90.0°	109.5°
H4	C19	H5	90.0°	109.5°
H4	C19	H6	90.0°	109.5°
H5	C19	H6	90.0°	109.4°
H41	C17	H42	90.0°	109.5°
H43	C20	H44	90.0°	109.5°
H45	C24	H46	90.0°	109.5°
H51	C27	H52	90.0°	109.5°
H57	C36	H58	90.0°	109.5°
H63	C39	H64	90.0°	109.5°
H69	C42	H70	90.0°	109.5°
H71	C43	H72	90.0°	109.5°
H73	C44	H74	90.0°	109.5°
H75	C45	H76	90.0°	109.5°
H77	C46	H78	90.0°	109.5°
H77	C46	H79	90.0°	109.5°
H78	C46	H79	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O45	P42	O44	O43	120.0°	120.0°
O45	P42	O44	O41	120.0°	120.0°
O45	P42	O43	O41	120.0°	120.0°
O45	P42	O41	C32	173.4°	55.0°
O45	P42	O43	H10	0.0°	60.0°
O45	P42	O44	H11	0.0°	180.0°
O40	P37	O39	O38	120.1°	120.0°
O40	P37	O39	O36	120.0°	120.0°
O40	P37	O38	O36	120.0°	120.0°
O40	P37	O36	C33	121.1°	55.0°
O40	P37	O38	H8	0.0°	60.0°
O40	P37	O39	H9	0.0°	180.0°
O44	P42	O43	O41	120.0°	120.0°
O44	P42	O41	C32	66.6°	65.0°
O44	P42	O43	H10	120.0°	60.0°
O43	P42	O41	C32	53.4°	175.0°
O43	P42	O44	H11	120.1°	60.0°
P42	O41	C32	C33	138.6°	120.0°
P42	O41	C32	C31	99.0°	120.0°
P42	O41	C32	H321	19.8°	0.0°
O41	P42	O43	H10	120.0°	180.0°
O41	P42	O44	H11	120.0°	60.0°
O41	C32	C33	O36	65.8°	60.0°
O41	C32	C33	C31	120.5°	120.0°
O41	C32	C33	H321	119.9°	120.0°
O41	C32	C31	H321	119.9°	120.0°
O41	C32	C33	C34	173.7°	180.0°
O41	C32	C31	O46	65.9°	60.0°
O41	C32	C31	C30	173.6°	180.0°
O41	C32	C31	H311	54.0°	60.0°
O41	C32	C33	H331	54.2°	59.9°
O39	P37	O38	O36	120.0°	120.0°
O39	P37	O36	C33	1.1°	65.1°
O39	P37	O38	H8	120.1°	60.0°
O38	P37	O36	C33	118.9°	175.0°
O38	P37	O39	H9	120.1°	60.0°
P37	O36	C33	C32	133.4°	120.0°
P37	O36	C33	C34	104.2°	120.0°
P37	O36	C33	H331	14.6°	0.1°
O36	P37	O38	H8	120.0°	180.0°
O36	P37	O39	H9	120.0°	59.9°
O36	C33	C32	C34	120.5°	120.0°
O36	C33	C32	H331	120.0°	120.0°
O36	C33	C32	C31	173.7°	180.0°
O36	C33	C34	H331	119.9°	120.0°
O36	C33	C34	O35	65.7°	60.0°
O36	C33	C34	C29	173.7°	180.0°
O36	C33	C32	H321	54.1°	60.0°
O36	C33	C34	H341	54.1°	59.9°
C33	C32	C31	H321	119.6°	120.0°
C32	C33	C34	H331	119.5°	120.0°
C33	C32	C31	O46	173.6°	180.0°
C33	C32	C31	C30	53.1°	60.0°
C32	C33	C34	O35	173.7°	180.0°
C32	C33	C34	C29	53.2°	60.1°
C33	C32	C31	H311	66.5°	60.0°
C32	C33	C34	H341	66.4°	60.0°
C31	C32	C33	C34	53.2°	60.0°
C32	C31	O46	C30	122.4°	120.0°
C32	C31	O46	H311	118.9°	120.0°
C32	C31	C30	H311	119.6°	120.0°
C32	C31	C30	O47	67.6°	60.0°
C32	C31	C30	C29	52.9°	60.0°
C32	C31	C30	H301	172.5°	180.0°
C31	C32	C33	H331	66.3°	60.1°
C32	C31	O46	H461	180.0°	180.0°
C33	C34	O35	C29	122.4°	120.0°
C33	C34	O35	H341	118.8°	120.0°
C33	C34	C29	H341	119.6°	120.1°
C33	C34	C29	C30	53.1°	60.1°
C33	C34	C29	O28	173.5°	180.0°
C33	C34	C29	H291	66.6°	59.9°
C34	C33	C32	H321	66.4°	60.0°
C33	C34	O35	H351	180.0°	180.0°
O46	C31	C30	H311	119.9°	120.0°
O46	C31	C30	O47	52.9°	60.0°
O46	C31	C30	C29	173.4°	180.0°
O46	C31	C30	H301	67.0°	60.0°
O46	C31	C32	H321	54.0°	60.1°
C31	C30	C29	C34	53.0°	60.0°
C31	C30	O47	C29	122.4°	120.0°
C31	C30	O47	H301	118.8°	120.1°
C31	C30	C29	H301	119.6°	120.0°
C31	C30	C29	O28	173.5°	180.0°
C31	C30	C29	H291	66.7°	60.0°
C30	C31	C32	H321	66.5°	60.0°
C30	C31	O46	H461	57.6°	59.9°
C31	C30	O47	H471	180.0°	60.0°
O35	C34	C29	H341	119.9°	119.9°
O35	C34	C29	C30	173.6°	180.0°
O35	C34	C29	O28	66.0°	60.0°
O35	C34	C29	H291	53.9°	60.0°
O35	C34	C33	H331	54.2°	60.0°
C34	C29	C30	O47	67.5°	60.0°
C34	C29	C30	O28	120.5°	120.0°
C34	C29	C30	H291	119.7°	120.0°
C34	C29	O28	H291	118.8°	120.1°
C34	C29	O28	P25	170.8°	120.1°
C34	C29	C30	H301	172.6°	180.0°
C29	C34	C33	H331	66.4°	60.0°
C29	C34	O35	H351	57.6°	60.0°
O47	C30	C29	H301	119.9°	119.9°
O47	C30	C29	O28	53.0°	60.0°
O47	C30	C29	H291	172.8°	179.9°
O47	C30	C31	H311	172.8°	180.0°
C30	C29	O28	H291	118.7°	120.0°
C30	C29	O28	P25	66.8°	120.0°
C29	C30	C31	H311	66.7°	60.0°
C30	C29	C34	H341	66.5°	60.0°
C29	C30	O47	H471	57.6°	180.0°
C29	O28	P25	O26	1.1°	55.0°
C29	O28	P25	O27	119.0°	65.0°
C29	O28	P25	O24	121.0°	175.0°
O28	C29	C30	H301	66.9°	60.0°
O28	C29	C34	H341	53.9°	59.9°
O28	P25	O26	O27	120.0°	120.0°
O28	P25	O26	O24	119.8°	120.0°
O28	P25	O27	O24	120.0°	120.0°
O28	P25	O24	C23	141.5°	175.0°
P25	O28	C29	H291	51.9°	0.0°
O28	P25	O27	H7	120.0°	60.0°
O26	P25	O27	O24	120.1°	120.0°
O26	P25	O24	C23	21.7°	55.0°
O26	P25	O27	H7	0.0°	180.0°
O27	P25	O24	C23	98.4°	65.0°
P25	O24	C23	C22	84.8°	180.0°
P25	O24	C23	H231	35.0°	59.9°
P25	O24	C23	H232	155.3°	60.0°
O24	P25	O27	H7	120.0°	60.0°
O24	C23	C22	H231	119.8°	120.0°
O24	C23	C22	H232	119.9°	120.0°
O24	C23	C22	O48	47.7°	65.0°
O24	C23	C22	C21	166.9°	55.0°
O24	C23	C22	H221	72.4°	174.9°
O24	C23	H231	H232	120.3°	120.0°
C23	C22	O48	C21	122.2°	120.0°
C23	C22	O48	H221	119.0°	120.0°
C23	C22	O48	C49	164.4°	90.0°
C23	C22	C21	H221	120.7°	120.0°
C23	C22	C21	O20	121.4°	55.0°
C23	C22	C21	H211	118.8°	64.9°
C23	C22	C21	H212	1.5°	175.1°
C22	C23	H231	H232	120.4°	120.0°
O48	C22	C21	H221	119.9°	120.0°
O48	C22	C21	O20	119.3°	65.0°
C22	O48	C49	O50	35.2°	0.0°
O48	C22	C21	H211	0.6°	175.0°
O48	C22	C21	H212	120.9°	55.0°
O48	C22	C23	H231	72.1°	55.0°
O48	C22	C23	H232	167.6°	175.0°
C22	O48	C49	C17	139.8°	180.0°
C49	O48	C22	C21	73.3°	149.9°
O48	C49	O50	C17	76.9°	179.9°
C49	O48	C22	H221	45.4°	30.0°
O48	C49	C17	C20	90.0°	180.0°
O48	C49	C17	H41	90.0°	60.0°
O48	C49	C17	H42	90.0°	60.0°
C22	C21	O20	H211	119.8°	120.0°
C22	C21	O20	H212	119.9°	120.1°
C22	C21	O20	C18	178.2°	180.0°
C22	C21	H211	H212	120.5°	120.1°
C21	C22	C23	H231	47.1°	175.0°
C21	C22	C23	H232	73.2°	65.0°
O20	C21	H211	H212	120.5°	120.0°
O20	C21	C22	H221	0.7°	175.0°
C21	O20	C18	C1	7.6°	180.0°
C21	O20	C18	O1	7.6°	0.0°
O50	C49	C17	C20	90.0°	0.0°
O50	C49	C17	H41	90.0°	120.0°
O50	C49	C17	H42	90.0°	120.0°
C18	O20	C21	H211	58.4°	60.0°
C18	O20	C21	H212	62.0°	59.9°
O20	C18	C1	O1	90.0°	180.0°
O20	C18	C1	C2	90.0°	180.0°
O20	C18	C1	H3	90.0°	60.0°
O20	C18	C1	H12	90.0°	60.0°
H211	C21	C22	H221	120.5°	55.0°
H212	C21	C22	H221	119.2°	65.0°
H221	C22	C23	H231	167.7°	65.0°
H221	C22	C23	H232	47.5°	55.0°
H291	C29	C30	H301	52.9°	60.0°
H291	C29	C34	H341	173.8°	180.0°
H301	C30	C31	H311	52.9°	60.0°
H301	C30	O47	H471	61.2°	60.1°
H311	C31	C32	H321	173.9°	180.0°
H311	C31	O46	H461	61.1°	60.1°
H321	C32	C33	H331	174.1°	180.0°
H331	C33	C34	H341	174.0°	180.0°
H341	C34	O35	H351	61.2°	60.0°
C18	C1	C2	H3	90.0°	120.0°
C18	C1	C2	H12	90.0°	120.0°
C18	C1	C2	C4	90.0°	180.0°
C18	C1	H3	H12	90.0°	120.0°
C18	C1	C2	H13	90.0°	60.0°
C18	C1	C2	H14	90.0°	60.0°
C1	C2	C4	H13	90.0°	120.0°
C1	C2	C4	H14	90.0°	120.0°
C1	C2	C4	C5	90.0°	NaN°
C2	C1	H3	H12	90.0°	120.0°
C1	C2	H13	H14	90.0°	120.0°
C1	C2	C4	H15	90.0°	60.0°
C1	C2	C4	H16	90.0°	60.0°
C2	C1	C18	O1	90.0°	0.0°
C2	C4	C5	H15	90.0°	120.0°
C2	C4	C5	H16	90.0°	120.0°
C2	C4	C5	C3	90.0°	180.0°
C4	C2	C1	H3	90.0°	60.0°
C4	C2	C1	H12	90.0°	60.0°
C4	C2	H13	H14	90.0°	120.0°
C2	C4	H15	H16	90.0°	120.0°
C2	C4	C5	H17	90.0°	60.0°
C2	C4	C5	H18	90.0°	60.0°
C4	C5	C3	H17	90.0°	120.0°
C4	C5	C3	H18	90.0°	120.0°
C4	C5	C3	C6	90.0°	180.0°
C5	C4	C2	H13	90.0°	60.0°
C5	C4	C2	H14	90.0°	60.0°
C5	C4	H15	H16	90.0°	120.0°
C4	C5	H17	H18	90.0°	120.0°
C4	C5	C3	H19	90.0°	60.0°
C4	C5	C3	H20	90.0°	60.0°
C5	C3	C6	H19	90.0°	120.0°
C5	C3	C6	H20	90.0°	120.0°
C5	C3	C6	C7	90.0°	180.0°
C3	C5	C4	H15	90.0°	60.0°
C3	C5	C4	H16	90.0°	60.0°
C3	C5	H17	H18	90.0°	120.0°
C5	C3	H19	H20	90.0°	120.0°
C5	C3	C6	H21	90.0°	60.0°
C5	C3	C6	H22	90.0°	60.0°
C3	C6	C7	H21	90.0°	120.0°
C3	C6	C7	H22	90.0°	120.0°
C3	C6	C7	C8	90.0°	180.0°
C6	C3	C5	H17	90.0°	60.0°
C6	C3	C5	H18	90.0°	60.0°
C6	C3	H19	H20	90.0°	120.0°
C3	C6	H21	H22	90.0°	120.0°
C3	C6	C7	H23	90.0°	60.0°
C3	C6	C7	H24	90.0°	60.0°
C6	C7	C8	H23	90.0°	120.0°
C6	C7	C8	H24	90.0°	120.0°
C6	C7	C8	C9	90.0°	180.0°
C7	C6	C3	H19	90.0°	60.0°
C7	C6	C3	H20	90.0°	60.0°
C7	C6	H21	H22	90.0°	120.0°
C6	C7	H23	H24	90.0°	120.0°
C6	C7	C8	H25	90.0°	60.0°
C6	C7	C8	H26	90.0°	60.0°
C7	C8	C9	H25	90.0°	120.0°
C7	C8	C9	H26	90.0°	120.0°
C7	C8	C9	C10	90.0°	180.0°
C8	C7	C6	H21	90.0°	60.0°
C8	C7	C6	H22	90.0°	60.0°
C8	C7	H23	H24	90.0°	120.0°
C7	C8	H25	H26	90.0°	120.0°
C7	C8	C9	H27	90.0°	60.0°
C7	C8	C9	H28	90.0°	60.0°
C8	C9	C10	H27	90.0°	120.0°
C8	C9	C10	H28	90.0°	120.0°
C8	C9	C10	C11	90.0°	180.0°
C9	C8	C7	H23	90.0°	60.0°
C9	C8	C7	H24	90.0°	60.0°
C9	C8	H25	H26	90.0°	120.0°
C8	C9	H27	H28	90.0°	120.0°
C8	C9	C10	H29	90.0°	60.0°
C8	C9	C10	H30	90.0°	60.0°
C9	C10	C11	H29	90.0°	120.0°
C9	C10	C11	H30	90.0°	120.0°
C9	C10	C11	C12	90.0°	180.0°
C10	C9	C8	H25	90.0°	60.0°
C10	C9	C8	H26	90.0°	60.0°
C10	C9	H27	H28	90.0°	120.0°
C9	C10	H29	H30	90.0°	120.0°
C9	C10	C11	H31	90.0°	60.0°
C9	C10	C11	H32	90.0°	60.0°
C10	C11	C12	H31	90.0°	120.0°
C10	C11	C12	H32	90.0°	120.0°
C10	C11	C12	C13	90.0°	180.0°
C11	C10	C9	H27	90.0°	60.0°
C11	C10	C9	H28	90.0°	60.0°
C11	C10	H29	H30	90.0°	120.0°
C10	C11	H31	H32	90.0°	120.0°
C10	C11	C12	H33	90.0°	60.0°
C10	C11	C12	H34	90.0°	60.0°
C11	C12	C13	H33	90.0°	120.0°
C11	C12	C13	H34	90.0°	120.0°
C11	C12	C13	C14	90.0°	180.0°
C12	C11	C10	H29	90.0°	60.0°
C12	C11	C10	H30	90.0°	60.0°
C12	C11	H31	H32	90.0°	120.0°
C11	C12	H33	H34	90.0°	120.0°
C11	C12	C13	H35	90.0°	60.0°
C11	C12	C13	H36	90.0°	60.0°
C12	C13	C14	H35	90.0°	120.0°
C12	C13	C14	H36	90.0°	120.0°
C12	C13	C14	C15	90.0°	180.0°
C13	C12	C11	H31	90.0°	60.0°
C13	C12	C11	H32	90.0°	60.0°
C13	C12	H33	H34	90.0°	120.0°
C12	C13	H35	H36	90.0°	120.0°
C12	C13	C14	H37	90.0°	60.0°
C12	C13	C14	H38	90.0°	60.0°
C13	C14	C15	H37	90.0°	120.0°
C13	C14	C15	H38	90.0°	120.0°
C14	C13	C12	H33	90.0°	60.0°
C14	C13	C12	H34	90.0°	60.0°
C14	C13	H35	H36	90.0°	120.0°
C13	C14	H37	H38	90.0°	120.0°
C13	C14	C15	H39	90.0°	60.0°
C13	C14	C15	H40	90.0°	60.0°
C13	C14	C15	C16	90.0°	180.0°
C15	C14	C13	H35	90.0°	60.0°
C15	C14	C13	H36	90.0°	60.0°
C15	C14	H37	H38	90.0°	119.9°
C14	C15	H39	H40	90.0°	120.0°
C14	C15	H39	C16	90.0°	120.0°
C14	C15	H40	C16	90.0°	120.0°
C14	C15	C16	C19	90.0°	180.0°
C14	C15	C16	H1	90.0°	60.0°
C14	C15	C16	H2	90.0°	60.0°
H3	C1	C2	H13	90.0°	180.0°
H3	C1	C2	H14	90.0°	60.0°
H3	C1	C18	O1	90.0°	120.0°
H12	C1	C2	H13	90.0°	60.0°
H12	C1	C2	H14	90.0°	180.0°
H12	C1	C18	O1	90.0°	120.0°
H13	C2	C4	H15	90.0°	NaN°
H13	C2	C4	H16	90.0°	60.0°
H14	C2	C4	H15	90.0°	60.0°
H14	C2	C4	H16	90.0°	180.0°
H15	C4	C5	H17	90.0°	180.0°
H15	C4	C5	H18	90.0°	60.0°
H16	C4	C5	H17	90.0°	60.0°
H16	C4	C5	H18	90.0°	180.0°
H17	C5	C3	H19	90.0°	180.0°
H17	C5	C3	H20	90.0°	60.0°
H18	C5	C3	H19	90.0°	60.0°
H18	C5	C3	H20	90.0°	180.0°
H19	C3	C6	H21	90.0°	180.0°
H19	C3	C6	H22	90.0°	60.0°
H20	C3	C6	H21	90.0°	60.0°
H20	C3	C6	H22	90.0°	180.0°
H21	C6	C7	H23	90.0°	NaN°
H21	C6	C7	H24	90.0°	60.0°
H22	C6	C7	H23	90.0°	60.0°
H22	C6	C7	H24	90.0°	180.0°
H23	C7	C8	H25	90.0°	180.0°
H23	C7	C8	H26	90.0°	60.0°
H24	C7	C8	H25	90.0°	60.0°
H24	C7	C8	H26	90.0°	180.0°
H25	C8	C9	H27	90.0°	180.0°
H25	C8	C9	H28	90.0°	60.0°
H26	C8	C9	H27	90.0°	60.0°
H26	C8	C9	H28	90.0°	180.0°
H27	C9	C10	H29	90.0°	180.0°
H27	C9	C10	H30	90.0°	60.0°
H28	C9	C10	H29	90.0°	60.0°
H28	C9	C10	H30	90.0°	180.0°
H29	C10	C11	H31	90.0°	180.0°
H29	C10	C11	H32	90.0°	60.0°
H30	C10	C11	H31	90.0°	60.0°
H30	C10	C11	H32	90.0°	179.9°
H31	C11	C12	H33	90.0°	180.0°
H31	C11	C12	H34	90.0°	60.0°
H32	C11	C12	H33	90.0°	60.0°
H32	C11	C12	H34	90.0°	180.0°
H33	C12	C13	H35	90.0°	180.0°
H33	C12	C13	H36	90.0°	60.0°
H34	C12	C13	H35	90.0°	60.0°
H34	C12	C13	H36	90.0°	180.0°
H35	C13	C14	H37	90.0°	180.0°
H35	C13	C14	H38	90.0°	60.0°
H36	C13	C14	H37	90.0°	60.0°
H36	C13	C14	H38	90.0°	180.0°
H37	C14	C15	H39	90.0°	180.0°
H37	C14	C15	H40	90.0°	60.0°
H37	C14	C15	C16	90.0°	60.0°
H38	C14	C15	H39	90.0°	60.1°
H38	C14	C15	H40	90.0°	179.9°
H38	C14	C15	C16	90.0°	60.0°
H39	C15	H40	C16	90.0°	120.0°
H39	C15	C16	C19	90.0°	60.0°
H39	C15	C16	H1	90.0°	179.9°
H39	C15	C16	H2	90.0°	60.0°
H40	C15	C16	C19	90.0°	60.0°
H40	C15	C16	H1	90.0°	59.9°
H40	C15	C16	H2	90.0°	180.0°
C15	C16	C19	H1	90.0°	119.9°
C15	C16	C19	H2	90.0°	120.0°
C15	C16	H1	H2	90.0°	120.0°
C15	C16	C19	H4	90.0°	60.0°
C15	C16	C19	H5	90.0°	60.0°
C15	C16	C19	H6	90.0°	180.0°
C19	C16	H1	H2	90.0°	120.0°
C16	C19	H4	H5	90.0°	120.0°
C16	C19	H4	H6	90.0°	120.0°
C16	C19	H5	H6	90.0°	120.0°
C49	C17	C20	H41	90.0°	120.0°
C49	C17	C20	H42	90.0°	119.9°
C49	C17	C20	C24	90.0°	180.0°
C49	C17	H41	H42	90.0°	120.0°
C49	C17	C20	H43	90.0°	60.0°
C49	C17	C20	H44	90.0°	60.0°
C17	C20	C24	H43	90.0°	120.0°
C17	C20	C24	H44	90.0°	119.9°
C17	C20	C24	C25	90.0°	180.0°
C20	C17	H41	H42	90.0°	120.0°
C17	C20	H43	H44	90.0°	120.0°
C17	C20	C24	H45	90.0°	60.0°
C17	C20	C24	H46	90.0°	60.1°
C20	C24	C25	H45	90.0°	120.0°
C20	C24	C25	H46	90.0°	120.0°
C20	C24	C25	C26	90.0°	125.0°
C24	C20	C17	H41	90.0°	60.0°
C24	C20	C17	H42	90.0°	60.1°
C24	C20	H43	H44	90.0°	120.0°
C20	C24	H45	H46	90.0°	120.0°
C20	C24	C25	H47	90.0°	55.0°
C24	C25	C26	H47	90.0°	180.0°
C24	C25	C26	C27	90.0°	180.0°
C25	C24	C20	H43	90.0°	60.0°
C25	C24	C20	H44	90.0°	60.1°
C25	C24	H45	H46	90.0°	120.0°
C24	C25	C26	H49	90.0°	0.0°
C25	C26	C27	H49	90.0°	180.0°
C25	C26	C27	C28	90.0°	125.0°
C26	C25	C24	H45	90.0°	5.1°
C26	C25	C24	H46	90.0°	115.0°
C25	C26	C27	H51	90.0°	115.0°
C25	C26	C27	H52	90.0°	5.0°
C26	C27	C28	H51	90.0°	120.0°
C26	C27	C28	H52	90.0°	120.1°
C26	C27	C28	C35	90.0°	124.9°
C27	C26	C25	H47	90.0°	0.1°
C26	C27	H51	H52	90.0°	120.0°
C26	C27	C28	H53	90.0°	55.0°
C27	C28	C35	H53	90.0°	179.9°
C27	C28	C35	C36	90.0°	180.0°
C28	C27	C26	H49	90.0°	55.0°
C28	C27	H51	H52	90.0°	119.9°
C27	C28	C35	H55	90.0°	0.0°
C28	C35	C36	H55	90.0°	180.0°
C28	C35	C36	C37	90.0°	125.0°
C35	C28	C27	H51	90.0°	5.0°
C35	C28	C27	H52	90.0°	115.0°
C28	C35	C36	H57	90.0°	115.0°
C28	C35	C36	H58	90.0°	5.0°
C35	C36	C37	H57	90.0°	120.0°
C35	C36	C37	H58	90.0°	120.0°
C35	C36	C37	C38	90.0°	125.0°
C36	C35	C28	H53	90.0°	0.1°
C35	C36	H57	H58	90.0°	120.1°
C35	C36	C37	H59	90.0°	55.0°
C36	C37	C38	H59	90.0°	180.0°
C36	C37	C38	C39	90.0°	179.9°
C37	C36	C35	H55	90.0°	55.0°
C37	C36	H57	H58	90.0°	120.0°
C36	C37	C38	H61	90.0°	0.0°
C37	C38	C39	H61	90.0°	179.9°
C37	C38	C39	C40	90.0°	125.0°
C38	C37	C36	H57	90.0°	5.0°
C38	C37	C36	H58	90.0°	115.0°
C37	C38	C39	H63	90.0°	114.9°
C37	C38	C39	H64	90.0°	5.1°
C38	C39	C40	H63	90.0°	120.1°
C38	C39	C40	H64	90.0°	119.9°
C38	C39	C40	C41	90.0°	125.1°
C39	C38	C37	H59	90.0°	0.0°
C38	C39	H63	H64	90.0°	120.0°
C38	C39	C40	H65	90.0°	55.0°
C39	C40	C41	H65	90.0°	179.9°
C39	C40	C41	C42	90.0°	180.0°
C40	C39	C38	H61	90.0°	55.0°
C40	C39	H63	H64	90.0°	120.0°
C39	C40	C41	H67	90.0°	0.1°
C40	C41	C42	H67	90.0°	179.9°
C40	C41	C42	C43	90.0°	125.0°
C41	C40	C39	H63	90.0°	5.0°
C41	C40	C39	H64	90.0°	115.0°
C40	C41	C42	H69	90.0°	115.1°
C40	C41	C42	H70	90.0°	5.0°
C41	C42	C43	H69	90.0°	120.0°
C41	C42	C43	H70	90.0°	120.0°
C41	C42	C43	C44	90.0°	180.0°
C42	C41	C40	H65	90.0°	0.1°
C41	C42	H69	H70	90.0°	120.0°
C41	C42	C43	H71	90.0°	60.0°
C41	C42	C43	H72	90.0°	60.0°
C42	C43	C44	H71	90.0°	120.0°
C42	C43	C44	H72	90.0°	120.0°
C42	C43	C44	C45	90.0°	180.0°
C43	C42	C41	H67	90.0°	55.0°
C43	C42	H69	H70	90.0°	120.0°
C42	C43	H71	H72	90.0°	120.0°
C42	C43	C44	H73	90.0°	60.0°
C42	C43	C44	H74	90.0°	60.0°
C43	C44	C45	H73	90.0°	120.0°
C43	C44	C45	H74	90.0°	120.0°
C43	C44	C45	C46	90.0°	180.0°
C44	C43	C42	H69	90.0°	60.0°
C44	C43	C42	H70	90.0°	60.0°
C44	C43	H71	H72	90.0°	120.0°
C43	C44	H73	H74	90.0°	120.0°
C43	C44	C45	H75	90.0°	60.0°
C43	C44	C45	H76	90.0°	60.0°
C44	C45	C46	H75	90.0°	120.0°
C44	C45	C46	H76	90.0°	120.0°
C45	C44	C43	H71	90.0°	60.0°
C45	C44	C43	H72	90.0°	60.0°
C45	C44	H73	H74	90.0°	120.0°
C44	C45	H75	H76	90.0°	120.0°
C44	C45	C46	H77	90.0°	60.0°
C44	C45	C46	H78	90.0°	60.0°
C44	C45	C46	H79	90.0°	180.0°
C46	C45	C44	H73	90.0°	60.0°
C46	C45	C44	H74	90.0°	60.0°
C46	C45	H75	H76	90.0°	120.0°
C45	C46	H77	H78	90.0°	120.0°
C45	C46	H77	H79	90.0°	120.1°
C45	C46	H78	H79	90.0°	120.0°
H1	C16	C19	H4	90.0°	179.9°
H1	C16	C19	H5	90.0°	59.9°
H1	C16	C19	H6	90.0°	60.1°
H2	C16	C19	H4	90.0°	60.0°
H2	C16	C19	H5	90.0°	180.0°
H2	C16	C19	H6	90.0°	60.0°
H4	C19	H5	H6	90.0°	119.9°
H41	C17	C20	H43	90.0°	179.9°
H41	C17	C20	H44	90.0°	60.0°
H42	C17	C20	H43	90.0°	60.0°
H42	C17	C20	H44	90.0°	180.0°
H43	C20	C24	H45	90.0°	180.0°
H43	C20	C24	H46	90.0°	60.0°
H44	C20	C24	H45	90.0°	59.9°
H44	C20	C24	H46	90.0°	180.0°
H45	C24	C25	H47	90.0°	175.0°
H46	C24	C25	H47	90.0°	65.0°
H47	C25	C26	H49	90.0°	180.0°
H49	C26	C27	H51	90.0°	65.0°
H49	C26	C27	H52	90.0°	175.0°
H51	C27	C28	H53	90.0°	174.9°
H52	C27	C28	H53	90.0°	65.1°
H53	C28	C35	H55	90.0°	179.9°
H55	C35	C36	H57	90.0°	65.0°
H55	C35	C36	H58	90.0°	174.9°
H57	C36	C37	H59	90.0°	175.0°
H58	C36	C37	H59	90.0°	65.0°
H59	C37	C38	H61	90.0°	180.0°
H61	C38	C39	H63	90.0°	65.0°
H61	C38	C39	H64	90.0°	175.0°
H63	C39	C40	H65	90.0°	175.1°
H64	C39	C40	H65	90.0°	64.9°
H65	C40	C41	H67	90.0°	180.0°
H67	C41	C42	H69	90.0°	65.0°
H67	C41	C42	H70	90.0°	175.0°
H69	C42	C43	H71	90.0°	180.0°
H69	C42	C43	H72	90.0°	60.0°
H70	C42	C43	H71	90.0°	60.0°
H70	C42	C43	H72	90.0°	180.0°
H71	C43	C44	H73	90.0°	180.0°
H71	C43	C44	H74	90.0°	60.0°
H72	C43	C44	H73	90.0°	60.0°
H72	C43	C44	H74	90.0°	180.0°
H73	C44	C45	H75	90.0°	180.0°
H73	C44	C45	H76	90.0°	60.0°
H74	C44	C45	H75	90.0°	60.0°
H74	C44	C45	H76	90.0°	180.0°
H75	C45	C46	H77	90.0°	180.0°
H75	C45	C46	H78	90.0°	60.0°
H75	C45	C46	H79	90.0°	59.9°
H76	C45	C46	H77	90.0°	60.0°
H76	C45	C46	H78	90.0°	180.0°
H76	C45	C46	H79	90.0°	60.1°
H77	C46	H78	H79	90.0°	120.0°

Release date:	2019-02-20
Definition date:	2019-01-23
Last modified:	2019-02-15
Release status:	REL
Processing site:	RCSB
Derived from:	6NR2