WSS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C44	C43	sing	1.53Å	1.51Å
C43	C42	sing	1.53Å	1.51Å
C40	C39	doub	1.31Å	1.30Å
C40	C41	sing	1.51Å	1.49Å
C39	C38	sing	1.51Å	1.49Å
C42	C41	sing	1.53Å	1.49Å
C38	C37	sing	1.53Å	1.48Å
C37	C36	sing	1.53Å	1.52Å
C36	C35	sing	1.53Å	1.50Å
C34	C35	sing	1.53Å	1.49Å
C34	C33	sing	1.53Å	1.51Å
C33	C32	sing	1.53Å	1.49Å
C32	C31	sing	1.51Å	1.49Å
C22	C23	sing	1.53Å	1.52Å
C22	C21	sing	1.53Å	1.50Å
C20	C21	sing	1.51Å	1.50Å
C20	C19	doub	1.31Å	1.30Å
O31	C31	doub	1.21Å	1.19Å
C18	C19	sing	1.51Å	1.49Å
C18	C17	sing	1.53Å	1.48Å
C31	O2	sing	1.34Å	1.34Å
C16	C17	sing	1.53Å	1.52Å
C16	C15	sing	1.53Å	1.50Å
O2	C2	sing	1.45Å	1.46Å
C15	C14	sing	1.53Å	1.50Å
O3	C3	sing	1.45Å	1.44Å
O3	C11	sing	1.34Å	1.32Å
C12	C11	sing	1.51Å	1.49Å
C12	C13	sing	1.53Å	1.48Å
C14	C13	sing	1.53Å	1.51Å
C3	C2	sing	1.53Å	1.51Å
C11	O11	doub	1.21Å	1.19Å
C2	C1	sing	1.53Å	1.51Å
C5	C4	sing	1.53Å	1.51Å
C1	O3P	sing	1.43Å	1.45Å
O3P	P	sing	1.61Å	1.60Å
O4P	C4	sing	1.43Å	1.45Å
O4P	P	sing	1.61Å	1.60Å
P	O1P	doub	1.48Å	1.50Å
P	O2P	sing	1.61Å	1.50Å
C1	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C18	H23	sing	1.09Å	1.10Å
C18	H24	sing	1.09Å	1.10Å
C19	H25	sing	1.08Å	1.08Å
C20	H26	sing	1.08Å	1.08Å
C21	H27	sing	1.09Å	1.10Å
C21	H28	sing	1.09Å	1.10Å
C22	H29	sing	1.09Å	1.10Å
C22	H30	sing	1.09Å	1.10Å
C23	H31	sing	1.09Å	1.10Å
C23	H32	sing	1.09Å	1.10Å
C32	H34	sing	1.09Å	1.10Å
C32	H35	sing	1.09Å	1.10Å
C33	H36	sing	1.09Å	1.10Å
C33	H37	sing	1.09Å	1.10Å
C34	H38	sing	1.09Å	1.10Å
C34	H39	sing	1.09Å	1.10Å
C35	H40	sing	1.09Å	1.10Å
C35	H41	sing	1.09Å	1.10Å
C36	H42	sing	1.09Å	1.10Å
C36	H43	sing	1.09Å	1.10Å
C37	H44	sing	1.09Å	1.10Å
C37	H45	sing	1.09Å	1.10Å
C38	H46	sing	1.09Å	1.10Å
C38	H47	sing	1.09Å	1.10Å
C39	H48	sing	1.08Å	1.08Å
C40	H49	sing	1.08Å	1.08Å
C41	H50	sing	1.09Å	1.10Å
C41	H51	sing	1.09Å	1.10Å
C42	H52	sing	1.09Å	1.10Å
C42	H53	sing	1.09Å	1.10Å
C43	H54	sing	1.09Å	1.10Å
C43	H55	sing	1.09Å	1.10Å
C44	H56	sing	1.09Å	1.10Å
C44	H57	sing	1.09Å	1.10Å
O2P	H59	sing	0.97Å	0.95Å
C44	C45	sing	1.53Å	424.91Å
C45	C46	sing	1.53Å	0.00Å
C46	C47	sing	1.53Å	0.00Å
C47	C48	sing	1.53Å	0.00Å
C23	C24	sing	1.53Å	425.46Å
C24	C25	sing	1.53Å	0.00Å
C25	C26	sing	1.53Å	0.00Å
C26	C27	sing	1.53Å	0.00Å
C27	C28	sing	1.53Å	0.00Å
C5	N1	sing	1.47Å	445.89Å
N1	C7	sing	1.47Å	0.00Å
N1	C8	sing	1.47Å	0.00Å
N1	C9	sing	1.47Å	0.00Å
C1	H5	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
C17	H20	sing	1.09Å	1.10Å
C17	H21	sing	1.09Å	1.10Å
C45	H22	sing	1.09Å	0.00Å
C45	H33	sing	1.09Å	0.00Å
C46	H58	sing	1.09Å	0.00Å
C46	H60	sing	1.09Å	0.00Å
C47	H61	sing	1.09Å	0.00Å
C47	H62	sing	1.09Å	0.00Å
C48	H63	sing	1.09Å	0.00Å
C48	H64	sing	1.09Å	0.00Å
C48	H65	sing	1.09Å	0.00Å
C24	H66	sing	1.09Å	0.00Å
C24	H67	sing	1.09Å	0.00Å
C25	H68	sing	1.09Å	0.00Å
C25	H69	sing	1.09Å	0.00Å
C26	H70	sing	1.09Å	0.00Å
C26	H71	sing	1.09Å	0.00Å
C27	H72	sing	1.09Å	0.00Å
C27	H73	sing	1.09Å	0.00Å
C28	H74	sing	1.09Å	0.00Å
C28	H75	sing	1.09Å	0.00Å
C28	H76	sing	1.09Å	0.00Å
C7	H77	sing	1.09Å	0.00Å
C7	H78	sing	1.09Å	0.00Å
C7	H79	sing	1.09Å	0.00Å
C8	H80	sing	1.09Å	0.00Å
C8	H81	sing	1.09Å	0.00Å
C8	H82	sing	1.09Å	0.00Å
C9	H83	sing	1.09Å	0.00Å
C9	H84	sing	1.09Å	0.00Å
C9	H85	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C44	C43	C42	113.5°	109.5°
C44	C43	H54	108.5°	109.5°
C44	C43	H55	108.4°	109.5°
C43	C44	H56	98.0°	109.5°
C43	C44	H57	98.0°	109.5°
C43	C44	C45	152.2°	109.5°
C43	C42	C41	115.0°	109.5°
C43	C42	H52	108.1°	109.5°
C43	C42	H53	108.0°	109.5°
C42	C43	H54	108.4°	109.5°
C42	C43	H55	108.4°	109.5°
C39	C40	C41	121.5°	120.0°
C40	C39	C38	119.9°	120.0°
C40	C39	H48	120.0°	120.0°
C39	C40	H49	119.2°	120.0°
C40	C41	C42	113.5°	109.5°
C41	C40	H49	119.2°	120.0°
C40	C41	H50	108.4°	109.5°
C40	C41	H51	108.4°	109.4°
C39	C38	C37	115.0°	109.4°
C39	C38	H46	108.1°	109.5°
C39	C38	H47	108.1°	109.5°
C38	C39	H48	120.0°	120.0°
C42	C41	H50	108.5°	109.5°
C42	C41	H51	108.5°	109.4°
C41	C42	H52	108.1°	109.5°
C41	C42	H53	108.1°	109.4°
C38	C37	C36	115.7°	109.5°
C38	C37	H44	107.9°	109.4°
C38	C37	H45	107.9°	109.5°
C37	C38	H46	108.1°	109.4°
C37	C38	H47	108.1°	109.5°
C37	C36	C35	112.1°	109.5°
C37	C36	H42	108.8°	109.4°
C37	C36	H43	108.8°	109.4°
C36	C37	H44	107.9°	109.5°
C36	C37	H45	107.9°	109.5°
C36	C35	C34	114.9°	109.5°
C36	C35	H40	108.1°	109.5°
C36	C35	H41	108.1°	109.5°
C35	C36	H42	108.8°	109.5°
C35	C36	H43	108.8°	109.5°
C35	C34	C33	114.0°	109.5°
C35	C34	H38	108.3°	109.5°
C35	C34	H39	108.3°	109.4°
C34	C35	H40	108.1°	109.5°
C34	C35	H41	108.1°	109.5°
C34	C33	C32	112.9°	109.5°
C34	C33	H36	108.6°	109.5°
C34	C33	H37	108.6°	109.5°
C33	C34	H38	108.3°	109.5°
C33	C34	H39	108.3°	109.5°
C33	C32	C31	112.4°	109.5°
C33	C32	H34	108.7°	109.5°
C33	C32	H35	108.7°	109.4°
C32	C33	H36	108.6°	109.5°
C32	C33	H37	108.6°	109.4°
C32	C31	O31	121.3°	120.0°
C32	C31	O2	118.2°	120.0°
C31	C32	H34	108.7°	109.4°
C31	C32	H35	108.7°	109.5°
C23	C22	C21	114.3°	109.5°
C23	C22	H29	108.2°	109.4°
C23	C22	H30	108.3°	109.5°
C22	C23	H31	105.7°	109.5°
C22	C23	H32	105.7°	109.5°
C22	C23	C24	124.2°	109.5°
C22	C21	C20	113.0°	109.5°
C22	C21	H27	108.6°	109.5°
C22	C21	H28	108.6°	109.5°
C21	C22	H29	108.3°	109.5°
C21	C22	H30	108.2°	109.5°
C21	C20	C19	125.5°	120.0°
C21	C20	H26	117.2°	120.0°
C20	C21	H27	108.6°	109.4°
C20	C21	H28	108.6°	109.5°
C20	C19	C18	126.2°	120.0°
C20	C19	H25	116.9°	120.0°
C19	C20	H26	117.3°	120.0°
O31	C31	O2	120.6°	120.0°
C19	C18	C17	113.7°	109.5°
C19	C18	H23	108.4°	109.5°
C19	C18	H24	108.4°	109.4°
C18	C19	H25	116.9°	120.0°
C18	C17	C16	113.2°	109.5°
C17	C18	H23	108.4°	109.5°
C17	C18	H24	108.4°	109.5°
C18	C17	H20	108.5°	109.5°
C18	C17	H21	108.5°	109.5°
C31	O2	C2	120.0°	117.0°
C17	C16	C15	115.0°	109.5°
C17	C16	H18	108.1°	109.5°
C17	C16	H19	108.1°	109.5°
C16	C17	H20	108.5°	109.4°
C16	C17	H21	108.5°	109.5°
C16	C15	C14	113.6°	109.5°
C16	C15	H16	108.5°	109.4°
C16	C15	H17	108.5°	109.5°
C15	C16	H18	108.1°	109.4°
C15	C16	H19	108.1°	109.5°
O2	C2	C3	110.9°	109.5°
O2	C2	C1	104.2°	109.5°
O2	C2	H3	110.6°	109.4°
C15	C14	C13	114.7°	109.5°
C15	C14	H14	108.1°	109.4°
C15	C14	H15	108.2°	109.5°
C14	C15	H16	108.4°	109.4°
C14	C15	H17	108.4°	109.5°
C3	O3	C11	116.4°	117.0°
O3	C3	C2	110.1°	109.4°
O3	C3	H4	109.3°	109.5°
O3	C3	H7	109.3°	109.5°
O3	C11	C12	111.3°	120.0°
O3	C11	O11	123.0°	120.0°
C11	C12	C13	113.0°	109.5°
C12	C11	O11	125.7°	120.0°
C11	C12	H2	108.6°	109.5°
C11	C12	H11	108.6°	109.5°
C12	C13	C14	112.0°	109.5°
C13	C12	H2	108.6°	109.5°
C13	C12	H11	108.6°	109.5°
C12	C13	H12	108.9°	109.4°
C12	C13	H13	108.9°	109.5°
C14	C13	H12	108.8°	109.4°
C14	C13	H13	108.8°	109.5°
C13	C14	H14	108.2°	109.5°
C13	C14	H15	108.1°	109.5°
C3	C2	C1	111.2°	109.5°
C3	C2	H3	109.9°	109.5°
C2	C3	H4	109.3°	109.5°
C2	C3	H7	109.3°	109.5°
C2	C1	O3P	110.5°	109.5°
C2	C1	H1	109.2°	109.5°
C1	C2	H3	109.9°	109.5°
C2	C1	H5	109.2°	109.5°
C5	C4	O4P	109.4°	109.5°
C5	C4	H6	109.5°	109.5°
C4	C5	H8	114.3°	109.4°
C4	C5	N1	89.1°	109.5°
C5	C4	H9	109.5°	109.5°
C4	C5	H10	114.3°	109.5°
C1	O3P	P	118.5°	123.0°
O3P	C1	H1	109.2°	109.4°
O3P	C1	H5	109.2°	109.5°
O3P	P	O4P	102.5°	109.5°
O3P	P	O1P	109.1°	109.5°
O3P	P	O2P	106.6°	109.5°
C4	O4P	P	119.3°	123.0°
O4P	C4	H6	109.5°	109.5°
O4P	C4	H9	109.5°	109.5°
O4P	P	O1P	109.7°	109.4°
O4P	P	O2P	106.7°	109.5°
O1P	P	O2P	120.7°	109.4°
P	O2P	H59	109.5°	113.9°
H1	C1	H5	109.4°	109.4°
H4	C3	H7	109.5°	109.5°
H6	C4	H9	109.5°	109.4°
H8	C5	N1	114.3°	109.5°
H8	C5	H10	109.4°	109.5°
H23	C18	H24	109.5°	109.4°
H27	C21	H28	109.5°	109.4°
H29	C22	H30	109.5°	109.5°
H31	C23	H32	109.4°	109.4°
H31	C23	C24	105.7°	109.5°
H32	C23	C24	105.7°	109.5°
H34	C32	H35	109.5°	109.5°
H36	C33	H37	109.4°	109.5°
H38	C34	H39	109.5°	109.5°
H40	C35	H41	109.5°	109.4°
H42	C36	H43	109.5°	109.5°
H44	C37	H45	109.4°	109.5°
H46	C38	H47	109.5°	109.5°
H50	C41	H51	109.5°	109.5°
H52	C42	H53	109.5°	109.5°
H54	C43	H55	109.5°	109.5°
H56	C44	H57	109.5°	109.5°
H56	C44	C45	98.0°	109.5°
H57	C44	C45	98.0°	109.5°
C44	C45	C46	90.0°	109.5°
C44	C45	H22	90.0°	109.5°
C44	C45	H33	90.0°	109.5°
C45	C46	C47	90.0°	109.5°
C46	C45	H22	90.0°	109.4°
C46	C45	H33	90.0°	109.5°
C45	C46	H58	90.0°	109.4°
C45	C46	H60	90.0°	109.5°
C46	C47	C48	90.0°	109.5°
C47	C46	H58	90.0°	109.5°
C47	C46	H60	90.0°	109.5°
C46	C47	H61	90.0°	109.5°
C46	C47	H62	90.0°	109.5°
C48	C47	H61	90.0°	109.5°
C48	C47	H62	90.0°	109.5°
C47	C48	H63	90.0°	109.5°
C47	C48	H64	90.0°	109.5°
C47	C48	H65	90.0°	109.4°
C23	C24	C25	90.0°	109.5°
C23	C24	H66	90.0°	109.5°
C23	C24	H67	90.0°	109.5°
C24	C25	C26	90.0°	109.5°
C25	C24	H66	90.0°	109.5°
C25	C24	H67	90.0°	109.4°
C24	C25	H68	90.0°	109.5°
C24	C25	H69	90.0°	109.5°
C25	C26	C27	90.0°	109.5°
C26	C25	H68	90.0°	109.4°
C26	C25	H69	90.0°	109.5°
C25	C26	H70	90.0°	109.4°
C25	C26	H71	90.0°	109.5°
C26	C27	C28	90.0°	109.5°
C27	C26	H70	90.0°	109.5°
C27	C26	H71	90.0°	109.5°
C26	C27	H72	90.0°	109.4°
C26	C27	H73	90.0°	109.4°
C28	C27	H72	90.0°	109.5°
C28	C27	H73	90.0°	109.5°
C27	C28	H74	90.0°	109.5°
C27	C28	H75	90.0°	109.4°
C27	C28	H76	90.0°	109.5°
C5	N1	C7	90.0°	109.5°
C5	N1	C8	90.0°	109.5°
C5	N1	C9	90.0°	109.4°
N1	C5	H10	114.3°	109.5°
C7	N1	C8	90.0°	109.5°
C7	N1	C9	90.0°	109.5°
N1	C7	H77	90.0°	109.4°
N1	C7	H78	90.0°	109.4°
N1	C7	H79	90.0°	109.5°
C8	N1	C9	90.0°	109.4°
N1	C8	H80	90.0°	109.5°
N1	C8	H81	90.0°	109.5°
N1	C8	H82	90.0°	109.4°
N1	C9	H83	90.0°	109.5°
N1	C9	H84	90.0°	109.5°
N1	C9	H85	90.0°	109.5°
H2	C12	H11	109.5°	109.4°
H12	C13	H13	109.5°	109.5°
H14	C14	H15	109.5°	109.5°
H16	C15	H17	109.4°	109.4°
H18	C16	H19	109.5°	109.4°
H20	C17	H21	109.5°	109.5°
H22	C45	H33	90.0°	109.5°
H58	C46	H60	90.0°	109.5°
H61	C47	H62	90.0°	109.5°
H63	C48	H64	90.0°	109.5°
H63	C48	H65	90.0°	109.5°
H64	C48	H65	90.0°	109.5°
H66	C24	H67	90.0°	109.5°
H68	C25	H69	90.0°	109.5°
H70	C26	H71	90.0°	109.5°
H72	C27	H73	90.0°	109.5°
H74	C28	H75	90.0°	109.5°
H74	C28	H76	90.0°	109.5°
H75	C28	H76	90.0°	109.5°
H77	C7	H78	90.0°	109.5°
H77	C7	H79	90.0°	109.5°
H78	C7	H79	90.0°	109.5°
H80	C8	H81	90.0°	109.5°
H80	C8	H82	90.0°	109.5°
H81	C8	H82	90.0°	109.5°
H83	C9	H84	90.0°	109.4°
H83	C9	H85	90.0°	109.5°
H84	C9	H85	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C44	C43	C42	H54	120.6°	120.0°
C44	C43	C42	H55	120.6°	120.0°
C44	C43	C42	C41	171.1°	180.0°
C44	C43	C42	H52	68.0°	60.0°
C44	C43	C42	H53	50.3°	60.0°
C44	C43	H54	H55	118.1°	120.0°
C43	C44	H56	H57	101.4°	120.0°
C43	C44	H56	C45	157.1°	120.0°
C43	C44	H57	C45	157.1°	120.0°
C43	C44	C45	C46	90.0°	180.0°
C43	C44	C45	H22	90.0°	60.0°
C43	C44	C45	H33	90.0°	60.0°
C43	C42	C41	C40	67.8°	180.0°
C43	C42	C41	H52	120.8°	120.0°
C43	C42	C41	H53	120.8°	120.0°
C43	C42	C41	H50	52.8°	60.0°
C43	C42	C41	H51	171.6°	60.0°
C43	C42	H52	H53	117.5°	120.1°
C42	C43	H54	H55	118.1°	120.0°
C42	C43	C44	H56	60.3°	60.0°
C42	C43	C44	H57	50.7°	60.0°
C42	C43	C44	C45	175.2°	180.0°
C39	C40	C41	H49	180.0°	179.9°
C40	C39	C38	H48	180.0°	179.9°
C39	C40	C41	C42	163.6°	121.6°
C40	C39	C38	C37	159.1°	121.6°
C40	C39	C38	H46	80.1°	1.7°
C40	C39	C38	H47	38.3°	118.4°
C39	C40	C41	H50	75.8°	118.4°
C39	C40	C41	H51	43.0°	1.6°
C41	C40	C39	C38	14.0°	7.4°
C40	C41	C42	H50	120.6°	120.1°
C40	C41	C42	H51	120.6°	119.9°
C41	C40	C39	H48	166.0°	172.5°
C40	C41	H50	H51	118.1°	120.0°
C40	C41	C42	H52	53.0°	60.0°
C40	C41	C42	H53	171.4°	60.0°
C39	C38	C37	H46	120.8°	120.0°
C39	C38	C37	H47	120.8°	120.0°
C39	C38	C37	C36	91.7°	180.0°
C39	C38	C37	H44	147.4°	60.0°
C39	C38	C37	H45	29.2°	60.0°
C39	C38	H46	H47	117.5°	120.0°
C38	C39	C40	H49	166.0°	172.5°
C42	C41	C40	H49	16.4°	58.6°
C42	C41	H50	H51	118.1°	120.0°
C41	C42	H52	H53	117.5°	119.9°
C41	C42	C43	H54	50.5°	60.0°
C41	C42	C43	H55	68.3°	60.0°
C38	C37	C36	H44	120.9°	120.0°
C38	C37	C36	H45	120.9°	120.0°
C38	C37	C36	C35	158.8°	180.0°
C38	C37	C36	H42	80.8°	60.0°
C38	C37	C36	H43	38.4°	60.0°
C38	C37	H44	H45	117.1°	120.0°
C37	C38	H46	H47	117.5°	120.0°
C37	C38	C39	H48	20.9°	58.5°
C37	C36	C35	H42	120.4°	120.0°
C37	C36	C35	H43	120.4°	120.0°
C37	C36	C35	C34	166.9°	180.0°
C37	C36	C35	H40	72.3°	60.0°
C37	C36	C35	H41	46.1°	60.0°
C37	C36	H42	H43	118.8°	119.9°
C36	C37	H44	H45	117.1°	120.0°
C36	C37	C38	H46	29.1°	60.0°
C36	C37	C38	H47	147.5°	60.0°
C36	C35	C34	H40	120.8°	120.0°
C36	C35	C34	H41	120.8°	120.0°
C36	C35	C34	C33	178.2°	180.0°
C36	C35	C34	H38	57.5°	60.0°
C36	C35	C34	H39	61.2°	60.0°
C36	C35	H40	H41	117.5°	120.0°
C35	C36	H42	H43	118.8°	120.0°
C35	C36	C37	H44	37.9°	60.0°
C35	C36	C37	H45	80.3°	60.0°
C35	C34	C33	H38	120.7°	120.0°
C35	C34	C33	H39	120.7°	120.0°
C35	C34	C33	C32	69.3°	180.0°
C35	C34	C33	H36	51.3°	60.0°
C35	C34	C33	H37	170.2°	60.0°
C35	C34	H38	H39	117.9°	120.0°
C34	C35	H40	H41	117.5°	120.0°
C34	C35	C36	H42	46.5°	60.0°
C34	C35	C36	H43	72.7°	60.0°
C34	C33	C32	H36	120.5°	120.0°
C34	C33	C32	H37	120.5°	120.0°
C34	C33	C32	C31	165.8°	180.0°
C34	C33	C32	H34	45.3°	60.0°
C34	C33	C32	H35	73.8°	60.0°
C34	C33	H36	H37	118.4°	120.0°
C33	C34	H38	H39	117.9°	120.0°
C33	C34	C35	H40	61.0°	60.0°
C33	C34	C35	H41	57.4°	60.0°
C33	C32	C31	H34	120.5°	120.0°
C33	C32	C31	H35	120.5°	120.0°
C33	C32	C31	O31	46.2°	0.0°
C33	C32	C31	O2	134.0°	180.0°
C33	C32	H34	H35	118.7°	120.0°
C32	C33	H36	H37	118.4°	120.0°
C32	C33	C34	H38	170.0°	60.0°
C32	C33	C34	H39	51.4°	60.0°
C32	C31	O31	O2	179.8°	179.9°
C32	C31	O2	C2	47.7°	180.0°
C31	C32	H34	H35	118.6°	120.0°
C31	C32	C33	H36	73.7°	60.0°
C31	C32	C33	H37	45.2°	60.0°
C23	C22	C21	H29	120.7°	119.9°
C23	C22	C21	H30	120.7°	120.0°
C23	C22	C21	C20	179.3°	180.0°
C23	C22	C21	H27	58.8°	60.0°
C23	C22	C21	H28	60.2°	59.9°
C23	C22	H29	H30	117.8°	120.0°
C22	C23	H31	H32	113.4°	120.0°
C22	C23	H31	C24	133.2°	120.0°
C22	C23	H32	C24	133.2°	120.0°
C22	C23	C24	C25	90.0°	180.0°
C22	C23	C24	H66	90.0°	60.0°
C22	C23	C24	H67	90.0°	60.0°
C22	C21	C20	H27	120.5°	120.0°
C22	C21	C20	H28	120.5°	120.0°
C22	C21	C20	C19	59.2°	125.0°
C22	C21	C20	H26	120.8°	55.0°
C22	C21	H27	H28	118.4°	120.0°
C21	C22	H29	H30	117.8°	120.1°
C21	C22	C23	H31	86.2°	60.0°
C21	C22	C23	H32	29.7°	60.0°
C21	C22	C23	C24	151.7°	180.0°
C21	C20	C19	H26	180.0°	180.0°
C21	C20	C19	C18	178.2°	179.9°
C21	C20	C19	H25	1.8°	0.0°
C20	C21	H27	H28	118.4°	120.0°
C20	C21	C22	H29	60.0°	60.0°
C20	C21	C22	H30	58.6°	60.0°
C20	C19	C18	H25	180.0°	179.9°
C20	C19	C18	C17	61.6°	125.0°
C20	C19	C18	H23	177.7°	4.9°
C20	C19	C18	H24	59.0°	115.0°
C19	C20	C21	H27	179.7°	115.0°
C19	C20	C21	H28	61.3°	5.0°
O31	C31	O2	C2	132.1°	0.0°
O31	C31	C32	H34	166.6°	120.0°
O31	C31	C32	H35	74.3°	119.9°
C19	C18	C17	H23	120.6°	120.1°
C19	C18	C17	H24	120.6°	120.0°
C19	C18	C17	C16	168.4°	180.0°
C19	C18	H23	H24	118.1°	120.0°
C18	C19	C20	H26	1.8°	0.0°
C19	C18	C17	H20	71.1°	60.0°
C19	C18	C17	H21	47.8°	60.0°
C18	C17	C16	H20	120.5°	120.0°
C18	C17	C16	H21	120.6°	120.0°
C18	C17	C16	C15	167.5°	180.0°
C17	C18	H23	H24	118.1°	120.0°
C17	C18	C19	H25	118.4°	54.9°
C18	C17	C16	H18	46.7°	60.0°
C18	C17	C16	H19	71.7°	60.0°
C18	C17	H20	H21	118.3°	120.0°
C31	O2	C2	C3	86.7°	150.0°
C31	O2	C2	C1	153.6°	90.0°
C31	O2	C2	H3	35.6°	30.0°
O2	C31	C32	H34	13.5°	60.1°
O2	C31	C32	H35	105.6°	60.0°
C17	C16	C15	H18	120.8°	120.0°
C17	C16	C15	H19	120.8°	120.1°
C17	C16	C15	C14	156.9°	180.0°
C16	C17	C18	H23	47.7°	60.0°
C16	C17	C18	H24	71.0°	60.0°
C17	C16	C15	H16	82.4°	60.0°
C17	C16	C15	H17	36.3°	59.9°
C17	C16	H18	H19	117.5°	120.0°
C16	C17	H20	H21	118.3°	120.0°
C16	C15	C14	H16	120.6°	120.0°
C16	C15	C14	H17	120.6°	120.1°
C16	C15	C14	C13	179.1°	NaN°
C16	C15	C14	H14	60.1°	60.0°
C16	C15	C14	H15	58.4°	60.0°
C16	C15	H16	H17	118.1°	120.0°
C15	C16	H18	H19	117.5°	120.0°
C15	C16	C17	H20	71.9°	60.0°
C15	C16	C17	H21	47.0°	60.0°
O2	C2	C3	O3	93.3°	65.0°
O2	C2	C3	C1	115.4°	120.1°
O2	C2	C3	H3	122.7°	120.0°
O2	C2	C1	H3	118.6°	120.0°
O2	C2	C1	O3P	45.9°	65.0°
O2	C2	C1	H1	74.3°	175.0°
O2	C2	C3	H4	26.8°	55.0°
O2	C2	C1	H5	166.1°	55.0°
O2	C2	C3	H7	146.6°	175.0°
C15	C14	C13	C12	71.8°	NaN°
C15	C14	C13	H14	120.7°	120.0°
C15	C14	C13	H15	120.8°	120.0°
C15	C14	C13	H12	167.8°	60.0°
C15	C14	C13	H13	48.6°	59.9°
C15	C14	H14	H15	117.7°	120.0°
C14	C15	H16	H17	118.1°	120.0°
C14	C15	C16	H18	36.1°	60.0°
C14	C15	C16	H19	82.2°	59.9°
C3	O3	C11	C12	176.1°	180.0°
O3	C3	C2	H4	120.1°	120.0°
O3	C3	C2	H7	120.1°	120.0°
C3	O3	C11	O11	3.5°	0.0°
O3	C3	C2	C1	151.3°	55.0°
O3	C3	C2	H3	29.4°	175.0°
O3	C3	H4	H7	119.7°	120.0°
O3	C11	C12	O11	179.6°	180.0°
O3	C11	C12	C13	173.2°	180.0°
C11	O3	C3	C2	76.4°	180.0°
C11	O3	C3	H4	163.5°	60.0°
C11	O3	C3	H7	43.7°	60.0°
O3	C11	C12	H2	66.3°	60.0°
O3	C11	C12	H11	52.7°	60.0°
C11	C12	C13	H2	120.5°	120.0°
C11	C12	C13	H11	120.5°	120.0°
C11	C12	C13	C14	176.2°	180.0°
C11	C12	H2	H11	118.4°	120.0°
C11	C12	C13	H12	55.8°	60.0°
C11	C12	C13	H13	63.4°	60.0°
C12	C13	C14	H12	120.4°	120.0°
C12	C13	C14	H13	120.4°	120.1°
C13	C12	C11	O11	7.1°	0.1°
C13	C12	H2	H11	118.4°	120.0°
C12	C13	H12	H13	118.9°	120.0°
C12	C13	C14	H14	167.5°	60.0°
C12	C13	C14	H15	49.0°	60.0°
C14	C13	C12	H2	63.3°	60.0°
C14	C13	C12	H11	55.7°	60.0°
C14	C13	H12	H13	118.8°	120.0°
C13	C14	H14	H15	117.6°	120.0°
C13	C14	C15	H16	58.5°	60.0°
C13	C14	C15	H17	60.3°	59.9°
C3	C2	C1	H3	122.0°	120.0°
C3	C2	C1	O3P	165.4°	55.0°
C3	C2	C1	H1	45.2°	64.9°
C2	C3	H4	H7	119.7°	120.0°
C3	C2	C1	H5	74.5°	175.0°
O11	C11	C12	H2	113.4°	120.1°
O11	C11	C12	H11	127.7°	120.0°
C2	C1	O3P	H1	120.2°	120.0°
C2	C1	O3P	H5	120.2°	120.0°
C2	C1	O3P	P	167.3°	180.0°
C2	C1	H1	H5	119.5°	120.1°
C1	C2	C3	H4	88.6°	175.0°
C1	C2	C3	H7	31.2°	65.0°
C5	C4	O4P	H6	120.0°	120.0°
C5	C4	O4P	H9	120.0°	120.0°
C5	C4	O4P	P	170.5°	180.0°
C5	C4	H6	H9	120.0°	120.0°
C4	C5	H8	N1	100.6°	120.0°
C4	C5	H8	H10	129.7°	120.0°
C4	C5	N1	H10	116.4°	120.0°
C4	C5	N1	C7	90.0°	54.1°
C4	C5	N1	C8	90.0°	174.2°
C4	C5	N1	C9	90.0°	65.9°
C1	O3P	P	O4P	76.2°	175.0°
C1	O3P	P	O1P	167.6°	55.0°
C1	O3P	P	O2P	35.8°	65.0°
O3P	C1	H1	H5	119.5°	120.0°
O3P	C1	C2	H3	72.6°	175.0°
O3P	P	O4P	C4	178.2°	175.0°
O3P	P	O4P	O1P	115.8°	120.0°
O3P	P	O4P	O2P	111.9°	120.0°
O3P	P	O1P	O2P	123.9°	120.0°
P	O3P	C1	H1	47.1°	60.0°
O3P	P	O2P	H59	125.0°	60.0°
P	O3P	C1	H5	72.6°	59.9°
C4	O4P	P	O1P	62.4°	55.0°
C4	O4P	P	O2P	69.9°	65.0°
O4P	C4	H6	H9	120.0°	120.0°
O4P	C4	C5	H8	123.1°	51.2°
O4P	C4	C5	N1	6.7°	68.8°
O4P	C4	C5	H10	109.7°	171.2°
O4P	P	O1P	O2P	124.6°	120.0°
P	O4P	C4	H6	69.5°	60.0°
O4P	P	O2P	H59	126.0°	60.0°
P	O4P	C4	H9	50.5°	60.0°
O1P	P	O2P	H59	0.0°	180.0°
H1	C1	C2	H3	167.2°	55.1°
H3	C2	C3	H4	149.5°	65.0°
H3	C2	C1	H5	47.5°	65.0°
H3	C2	C3	H7	90.7°	55.0°
H6	C4	C5	H8	117.0°	68.9°
H6	C4	C5	N1	126.6°	171.1°
H6	C4	C5	H10	10.2°	51.1°
H8	C5	N1	H10	127.2°	120.0°
H8	C5	N1	C7	90.0°	174.1°
H8	C5	N1	C8	90.0°	65.9°
H8	C5	N1	C9	90.0°	54.1°
H8	C5	C4	H9	3.1°	171.2°
H23	C18	C19	H25	2.3°	175.0°
H23	C18	C17	H20	168.3°	180.0°
H23	C18	C17	H21	72.8°	60.0°
H24	C18	C19	H25	121.0°	65.1°
H24	C18	C17	H20	49.6°	60.0°
H24	C18	C17	H21	168.4°	180.0°
H25	C19	C20	H26	178.2°	180.0°
H26	C20	C21	H27	0.3°	65.1°
H26	C20	C21	H28	118.7°	175.0°
H27	C21	C22	H29	179.5°	180.0°
H27	C21	C22	H30	61.9°	59.9°
H28	C21	C22	H29	60.5°	60.0°
H28	C21	C22	H30	179.1°	179.9°
H29	C22	C23	H31	34.5°	180.0°
H29	C22	C23	H32	150.4°	60.0°
H29	C22	C23	C24	87.5°	60.0°
H30	C22	C23	H31	153.1°	60.0°
H30	C22	C23	H32	91.0°	180.0°
H30	C22	C23	C24	31.0°	60.0°
H31	C23	H32	C24	113.4°	120.0°
H31	C23	C24	C25	90.0°	60.0°
H31	C23	C24	H66	90.0°	180.0°
H31	C23	C24	H67	90.0°	60.0°
H32	C23	C24	C25	90.0°	60.0°
H32	C23	C24	H66	90.0°	60.0°
H32	C23	C24	H67	90.0°	179.9°
H34	C32	C33	H36	165.9°	179.9°
H34	C32	C33	H37	75.2°	60.0°
H35	C32	C33	H36	46.7°	60.0°
H35	C32	C33	H37	165.7°	180.0°
H36	C33	C34	H38	69.4°	180.0°
H36	C33	C34	H39	171.9°	60.0°
H37	C33	C34	H38	49.5°	60.0°
H37	C33	C34	H39	69.1°	180.0°
H38	C34	C35	H40	178.3°	180.0°
H38	C34	C35	H41	63.3°	60.0°
H39	C34	C35	H40	59.6°	60.0°
H39	C34	C35	H41	178.0°	180.0°
H40	C35	C36	H42	167.3°	180.0°
H40	C35	C36	H43	48.1°	60.0°
H41	C35	C36	H42	74.3°	60.0°
H41	C35	C36	H43	166.5°	179.9°
H42	C36	C37	H44	158.3°	179.9°
H42	C36	C37	H45	40.1°	60.1°
H43	C36	C37	H44	82.5°	60.0°
H43	C36	C37	H45	159.4°	180.0°
H44	C37	C38	H46	91.8°	180.0°
H44	C37	C38	H47	26.6°	59.9°
H45	C37	C38	H46	150.0°	60.0°
H45	C37	C38	H47	91.6°	180.0°
H46	C38	C39	H48	99.9°	178.5°
H47	C38	C39	H48	141.7°	61.4°
H48	C39	C40	H49	14.0°	7.6°
H49	C40	C41	H50	104.2°	61.5°
H49	C40	C41	H51	137.0°	178.5°
H50	C41	C42	H52	173.6°	180.0°
H50	C41	C42	H53	68.0°	60.1°
H51	C41	C42	H52	67.6°	60.0°
H51	C41	C42	H53	50.8°	180.0°
H52	C42	C43	H54	171.3°	180.0°
H52	C42	C43	H55	52.5°	60.0°
H53	C42	C43	H54	70.3°	59.9°
H53	C42	C43	H55	170.9°	179.9°
H54	C43	C44	H56	60.3°	180.0°
H54	C43	C44	H57	171.3°	60.0°
H54	C43	C44	C45	64.2°	60.0°
H55	C43	C44	H56	179.1°	60.0°
H55	C43	C44	H57	69.9°	180.0°
H55	C43	C44	C45	54.6°	60.0°
H56	C44	H57	C45	101.4°	120.0°
H56	C44	C45	C46	90.0°	60.1°
H56	C44	C45	H22	90.0°	NaN°
H56	C44	C45	H33	90.0°	60.0°
H57	C44	C45	C46	90.0°	60.0°
H57	C44	C45	H22	90.0°	60.0°
H57	C44	C45	H33	90.0°	180.0°
C44	C45	C46	H22	90.0°	120.0°
C44	C45	C46	H33	90.0°	120.0°
C44	C45	C46	C47	90.0°	180.0°
C44	C45	H22	H33	90.0°	120.0°
C44	C45	C46	H58	90.0°	60.0°
C44	C45	C46	H60	90.0°	60.0°
C45	C46	C47	H58	90.0°	120.0°
C45	C46	C47	H60	90.0°	120.1°
C45	C46	C47	C48	90.0°	180.0°
C46	C45	H22	H33	90.0°	120.0°
C45	C46	H58	H60	90.0°	120.0°
C45	C46	C47	H61	90.0°	60.1°
C45	C46	C47	H62	90.0°	60.0°
C46	C47	C48	H61	90.0°	120.0°
C46	C47	C48	H62	90.0°	120.0°
C47	C46	C45	H22	90.0°	60.0°
C47	C46	C45	H33	90.0°	60.0°
C47	C46	H58	H60	90.0°	120.0°
C46	C47	H61	H62	90.0°	120.0°
C46	C47	C48	H63	90.0°	60.0°
C46	C47	C48	H64	90.0°	60.0°
C46	C47	C48	H65	90.0°	180.0°
C48	C47	C46	H58	90.0°	60.0°
C48	C47	C46	H60	90.0°	60.0°
C48	C47	H61	H62	90.0°	120.0°
C47	C48	H63	H64	90.0°	120.0°
C47	C48	H63	H65	90.0°	119.9°
C47	C48	H64	H65	90.0°	120.0°
C23	C24	C25	H66	90.0°	120.0°
C23	C24	C25	H67	90.0°	120.0°
C23	C24	C25	C26	90.0°	180.0°
C23	C24	H66	H67	90.0°	120.0°
C23	C24	C25	H68	90.0°	60.0°
C23	C24	C25	H69	90.0°	60.0°
C24	C25	C26	H68	90.0°	120.0°
C24	C25	C26	H69	90.0°	120.0°
C24	C25	C26	C27	90.0°	180.0°
C25	C24	H66	H67	90.0°	119.9°
C24	C25	H68	H69	90.0°	120.0°
C24	C25	C26	H70	90.0°	60.0°
C24	C25	C26	H71	90.0°	60.0°
C25	C26	C27	H70	90.0°	120.0°
C25	C26	C27	H71	90.0°	120.0°
C25	C26	C27	C28	90.0°	180.0°
C26	C25	C24	H66	90.0°	60.0°
C26	C25	C24	H67	90.0°	60.0°
C26	C25	H68	H69	90.0°	120.0°
C25	C26	H70	H71	90.0°	120.0°
C25	C26	C27	H72	90.0°	60.0°
C25	C26	C27	H73	90.0°	60.0°
C26	C27	C28	H72	90.0°	120.0°
C26	C27	C28	H73	90.0°	120.0°
C27	C26	C25	H68	90.0°	60.0°
C27	C26	C25	H69	90.0°	60.0°
C27	C26	H70	H71	90.0°	120.0°
C26	C27	H72	H73	90.0°	119.9°
C26	C27	C28	H74	90.0°	180.0°
C26	C27	C28	H75	90.0°	60.0°
C26	C27	C28	H76	90.0°	60.0°
C28	C27	C26	H70	90.0°	60.0°
C28	C27	C26	H71	90.0°	60.0°
C28	C27	H72	H73	90.0°	120.1°
C27	C28	H74	H75	90.0°	120.0°
C27	C28	H74	H76	90.0°	120.0°
C27	C28	H75	H76	90.0°	120.0°
C5	N1	C7	C8	90.0°	120.1°
C5	N1	C7	C9	90.0°	120.0°
C5	N1	C8	C9	90.0°	120.0°
N1	C5	C4	H9	113.3°	51.2°
C5	N1	C7	H77	90.0°	60.0°
C5	N1	C7	H78	90.0°	180.0°
C5	N1	C7	H79	90.0°	60.0°
C5	N1	C8	H80	90.0°	60.0°
C5	N1	C8	H81	90.0°	180.0°
C5	N1	C8	H82	90.0°	60.0°
C5	N1	C9	H83	90.0°	66.4°
C5	N1	C9	H84	90.0°	173.6°
C5	N1	C9	H85	90.0°	53.6°
C7	N1	C8	C9	90.0°	120.0°
C7	N1	C5	H10	90.0°	65.9°
N1	C7	H77	H78	90.0°	120.0°
N1	C7	H77	H79	90.0°	120.0°
N1	C7	H78	H79	90.0°	120.0°
C7	N1	C8	H80	90.0°	180.0°
C7	N1	C8	H81	90.0°	60.0°
C7	N1	C8	H82	90.0°	60.0°
C7	N1	C9	H83	90.0°	53.6°
C7	N1	C9	H84	90.0°	66.4°
C7	N1	C9	H85	90.0°	173.6°
C8	N1	C5	H10	90.0°	54.1°
C8	N1	C7	H77	90.0°	60.1°
C8	N1	C7	H78	90.0°	59.9°
C8	N1	C7	H79	90.0°	179.9°
N1	C8	H80	H81	90.0°	120.0°
N1	C8	H80	H82	90.0°	119.9°
N1	C8	H81	H82	90.0°	120.0°
C8	N1	C9	H83	90.0°	173.6°
C8	N1	C9	H84	90.0°	53.6°
C8	N1	C9	H85	90.0°	66.4°
C9	N1	C5	H10	90.0°	174.1°
C9	N1	C7	H77	90.0°	180.0°
C9	N1	C7	H78	90.0°	60.0°
C9	N1	C7	H79	90.0°	60.0°
C9	N1	C8	H80	90.0°	60.0°
C9	N1	C8	H81	90.0°	60.0°
C9	N1	C8	H82	90.0°	180.0°
N1	C9	H83	H84	90.0°	120.0°
N1	C9	H83	H85	90.0°	120.0°
N1	C9	H84	H85	90.0°	120.0°
H9	C4	C5	H10	130.3°	68.8°
H2	C12	C13	H12	176.4°	180.0°
H2	C12	C13	H13	57.1°	60.0°
H11	C12	C13	H12	64.7°	60.0°
H11	C12	C13	H13	176.1°	180.0°
H12	C13	C14	H14	47.1°	180.0°
H12	C13	C14	H15	71.4°	60.0°
H13	C13	C14	H14	72.2°	60.0°
H13	C13	C14	H15	169.4°	180.0°
H14	C14	C15	H16	179.2°	180.0°
H14	C14	C15	H17	60.5°	60.1°
H15	C14	C15	H16	62.3°	60.0°
H15	C14	C15	H17	179.0°	180.0°
H16	C15	C16	H18	156.8°	180.0°
H16	C15	C16	H19	38.4°	60.0°
H17	C15	C16	H18	84.5°	60.1°
H17	C15	C16	H19	157.1°	180.0°
H18	C16	C17	H20	167.2°	180.0°
H18	C16	C17	H21	73.9°	60.0°
H19	C16	C17	H20	48.9°	60.1°
H19	C16	C17	H21	167.8°	180.0°
H22	C45	C46	H58	90.0°	180.0°
H22	C45	C46	H60	90.0°	60.0°
H33	C45	C46	H58	90.0°	60.0°
H33	C45	C46	H60	90.0°	180.0°
H58	C46	C47	H61	90.0°	180.0°
H58	C46	C47	H62	90.0°	60.0°
H60	C46	C47	H61	90.0°	60.0°
H60	C46	C47	H62	90.0°	180.0°
H61	C47	C48	H63	90.0°	180.0°
H61	C47	C48	H64	90.0°	60.0°
H61	C47	C48	H65	90.0°	60.0°
H62	C47	C48	H63	90.0°	60.0°
H62	C47	C48	H64	90.0°	180.0°
H62	C47	C48	H65	90.0°	60.0°
H63	C48	H64	H65	90.0°	120.0°
H66	C24	C25	H68	90.0°	180.0°
H66	C24	C25	H69	90.0°	60.0°
H67	C24	C25	H68	90.0°	60.0°
H67	C24	C25	H69	90.0°	180.0°
H68	C25	C26	H70	90.0°	180.0°
H68	C25	C26	H71	90.0°	60.1°
H69	C25	C26	H70	90.0°	60.0°
H69	C25	C26	H71	90.0°	180.0°
H70	C26	C27	H72	90.0°	180.0°
H70	C26	C27	H73	90.0°	60.0°
H71	C26	C27	H72	90.0°	60.0°
H71	C26	C27	H73	90.0°	180.0°
H72	C27	C28	H74	90.0°	60.0°
H72	C27	C28	H75	90.0°	180.0°
H72	C27	C28	H76	90.0°	60.0°
H73	C27	C28	H74	90.0°	60.0°
H73	C27	C28	H75	90.0°	60.0°
H73	C27	C28	H76	90.0°	180.0°
H74	C28	H75	H76	90.0°	120.0°
H77	C7	H78	H79	90.0°	120.0°
H80	C8	H81	H82	90.0°	120.0°
H83	C9	H84	H85	90.0°	120.0°

Release date:	2020-11-11
Definition date:	2020-11-04
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	6WM2