PRD_002326

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	P1	sing	0.00Å	1.51Å
P1	C3	sing	0.00Å	1.88Å
P1	O1	sing	0.00Å	1.51Å
C3	N1	sing	0.00Å	1.44Å
C3	C4	sing	0.00Å	1.54Å
C9	C8	doub	0.00Å	1.39Å	Aromatic
C9	C2	sing	0.00Å	1.38Å	Aromatic
C8	C7	sing	0.00Å	1.38Å	Aromatic
C1	C4	sing	0.00Å	1.54Å
C1	C2	sing	0.00Å	1.55Å
C2	C5	doub	0.00Å	1.39Å	Aromatic
C7	C6	doub	0.00Å	1.38Å	Aromatic
C5	C6	sing	0.00Å	1.38Å	Aromatic
C1	H1	sing	0.00Å	1.10Å
C1	H2	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
O1	H4	sing	0.00Å	0.95Å
O2	H5	sing	0.00Å	0.95Å
N1	H6	sing	0.00Å	1.00Å
N1	H7	sing	0.00Å	1.00Å
C4	H8	sing	0.00Å	1.10Å
C4	H9	sing	0.00Å	1.10Å
C5	H10	sing	0.00Å	1.08Å
C6	H11	sing	0.00Å	1.08Å
C7	H12	sing	0.00Å	1.08Å
C8	H13	sing	0.00Å	1.08Å
C9	H14	sing	0.00Å	1.08Å
C10	C11	sing	0.00Å	1.54Å
C10	C12	sing	0.00Å	1.54Å
C10	C16	sing	0.00Å	1.52Å
C11	O3	doub	0.00Å	1.18Å
C12	C13	sing	0.00Å	1.57Å
C13	C14	sing	0.00Å	1.54Å
C13	C15	sing	0.00Å	1.54Å
C10	H15	sing	0.00Å	1.10Å
C12	H16	sing	0.00Å	1.10Å
C12	H17	sing	0.00Å	1.10Å
C16	H18	sing	0.00Å	1.10Å
C16	H19	sing	0.00Å	1.10Å
C13	H20	sing	0.00Å	1.10Å
C14	H21	sing	0.00Å	1.10Å
C14	H22	sing	0.00Å	1.10Å
C14	H23	sing	0.00Å	1.10Å
C15	H24	sing	0.00Å	1.10Å
C15	H25	sing	0.00Å	1.10Å
C15	H26	sing	0.00Å	1.10Å
N2	C17	sing	0.00Å	1.47Å
N2	H27	sing	0.00Å	1.00Å
C17	C18	sing	0.00Å	1.55Å
C17	C19	sing	0.00Å	1.52Å
C17	H28	sing	0.00Å	1.10Å
C18	O4	doub	0.00Å	1.18Å
C19	O5	sing	0.00Å	1.40Å
C19	C20	sing	0.00Å	1.54Å
C19	H29	sing	0.00Å	1.10Å
O5	H30	sing	0.00Å	0.95Å
C20	H31	sing	0.00Å	1.10Å
C20	H32	sing	0.00Å	1.10Å
C20	H33	sing	0.00Å	1.10Å
N3	C21	sing	0.00Å	1.46Å
N3	H34	sing	0.00Å	1.00Å
C21	C22	sing	0.00Å	1.53Å
C21	C23	sing	0.00Å	1.52Å
C21	H35	sing	0.00Å	1.10Å
C22	O6	doub	0.00Å	1.19Å
C23	C24	sing	0.00Å	1.54Å
C23	H36	sing	0.00Å	1.10Å
C23	H37	sing	0.00Å	1.10Å
C24	C25	doub	0.00Å	1.39Å	Aromatic
C24	C26	sing	0.00Å	1.38Å	Aromatic
C25	C27	sing	0.00Å	1.38Å	Aromatic
C25	H38	sing	0.00Å	1.08Å
C26	C28	doub	0.00Å	1.39Å	Aromatic
C26	H39	sing	0.00Å	1.08Å
C27	C29	doub	0.00Å	1.39Å	Aromatic
C27	H40	sing	0.00Å	1.08Å
C28	C29	sing	0.00Å	1.38Å	Aromatic
C28	H41	sing	0.00Å	1.08Å
C29	H42	sing	0.00Å	1.08Å
N4	C30	sing	0.00Å	1.33Å
N4	C34	sing	0.00Å	1.63Å
C30	C31	sing	0.00Å	1.53Å
C30	C32	sing	0.00Å	1.60Å
C30	H43	sing	0.00Å	1.10Å
C31	O7	doub	0.00Å	1.26Å
C32	C33	sing	0.00Å	1.56Å
C32	H44	sing	0.00Å	1.10Å
C32	H45	sing	0.00Å	1.10Å
C33	C34	sing	0.00Å	1.39Å
C33	H46	sing	0.00Å	1.10Å
C33	H47	sing	0.00Å	1.10Å
C34	H48	sing	0.00Å	1.10Å
C34	H49	sing	0.00Å	1.10Å
N5	C35	sing	0.00Å	0.00Å
N5	H50	sing	0.00Å	0.00Å
C35	C36	sing	0.00Å	0.00Å
C35	C37	sing	0.00Å	0.00Å
C35	H51	sing	0.00Å	0.00Å
C36	O8	doub	0.00Å	0.00Å
C37	C38	sing	0.00Å	0.00Å
C37	H52	sing	0.00Å	0.00Å
C37	H53	sing	0.00Å	0.00Å
C38	C39	sing	0.00Å	0.00Å
C38	H54	sing	0.00Å	0.00Å
C38	H55	sing	0.00Å	0.00Å
C39	O9	doub	0.00Å	0.00Å
C39	O10	sing	0.00Å	0.00Å
O10	H56	sing	0.00Å	0.00Å
N6	C40	sing	0.00Å	0.00Å
N6	H57	sing	0.00Å	0.00Å
C40	C41	sing	0.00Å	0.00Å
C40	C42	sing	0.00Å	0.00Å
C40	H58	sing	0.00Å	0.00Å
C41	O11	doub	0.00Å	0.00Å
C42	O12	sing	0.00Å	0.00Å
C42	C43	sing	0.00Å	0.00Å
C42	H59	sing	0.00Å	0.00Å
O12	H60	sing	0.00Å	0.00Å
C43	H61	sing	0.00Å	0.00Å
C43	H62	sing	0.00Å	0.00Å
C43	H63	sing	0.00Å	0.00Å
N7	C44	sing	0.00Å	0.00Å
N7	H64	sing	0.00Å	0.00Å
C44	C45	sing	0.00Å	0.00Å
C44	C46	sing	0.00Å	0.00Å
C44	H65	sing	0.00Å	0.00Å
C45	O13	doub	0.00Å	0.00Å
C46	C47	sing	0.00Å	0.00Å
C46	H66	sing	0.00Å	0.00Å
C46	H67	sing	0.00Å	0.00Å
C47	C48	sing	0.00Å	0.00Å
C47	C49	sing	0.00Å	0.00Å
C47	H68	sing	0.00Å	0.00Å
C48	H69	sing	0.00Å	0.00Å
C48	H70	sing	0.00Å	0.00Å
C48	H71	sing	0.00Å	0.00Å
C49	H72	sing	0.00Å	0.00Å
C49	H73	sing	0.00Å	0.00Å
C49	H74	sing	0.00Å	0.00Å
N8	C50	sing	0.00Å	0.00Å
N8	H75	sing	0.00Å	0.00Å
C50	C51	sing	0.00Å	0.00Å
C50	C52	sing	0.00Å	0.00Å
C50	H76	sing	0.00Å	0.00Å
C51	O14	doub	0.00Å	0.00Å
C52	O15	sing	0.00Å	0.00Å
C52	C53	sing	0.00Å	0.00Å
C52	H77	sing	0.00Å	0.00Å
O15	H78	sing	0.00Å	0.00Å
C53	H79	sing	0.00Å	0.00Å
C53	H80	sing	0.00Å	0.00Å
C53	H81	sing	0.00Å	0.00Å
N9	C54	sing	0.00Å	0.00Å
N9	H82	sing	0.00Å	0.00Å
C54	C55	sing	0.00Å	0.00Å
C54	C56	sing	0.00Å	0.00Å
C54	H83	sing	0.00Å	0.00Å
C55	O16	doub	0.00Å	0.00Å
C55	O18	sing	0.00Å	0.00Å
C56	C57	sing	0.00Å	0.00Å
C56	H84	sing	0.00Å	0.00Å
C56	H85	sing	0.00Å	0.00Å
C57	C58	doub	0.00Å	0.00Å	Aromatic
C57	C59	sing	0.00Å	0.00Å	Aromatic
C58	C60	sing	0.00Å	0.00Å	Aromatic
C58	H86	sing	0.00Å	0.00Å
C59	C61	doub	0.00Å	0.00Å	Aromatic
C59	H87	sing	0.00Å	0.00Å
C60	C62	doub	0.00Å	0.00Å	Aromatic
C60	H88	sing	0.00Å	0.00Å
C61	C62	sing	0.00Å	0.00Å	Aromatic
C61	H89	sing	0.00Å	0.00Å
C62	O17	sing	0.00Å	0.00Å
O17	H90	sing	0.00Å	0.00Å
O18	H91	sing	0.00Å	0.00Å
P1	C16	sing	0.00Å	1.88Å
C11	N2	sing	0.00Å	1.49Å
C18	N3	sing	0.00Å	1.48Å
C22	N4	sing	0.00Å	1.47Å
C31	N5	sing	0.00Å	58.52Å
C36	N6	sing	0.00Å	0.00Å
C41	N7	sing	0.00Å	0.00Å
C45	N8	sing	0.00Å	0.00Å
C51	N9	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	P1	C3	114.9°	90.0°
O2	P1	O1	109.7°	90.0°
P1	O2	H5	109.5°	90.0°
O2	P1	C16	106.4°	90.0°
C3	P1	O1	105.9°	90.0°
P1	C3	N1	109.1°	90.0°
P1	C3	C4	109.4°	90.0°
P1	C3	H3	105.4°	90.0°
C3	P1	C16	108.1°	90.0°
P1	O1	H4	109.5°	90.0°
O1	P1	C16	112.0°	90.0°
N1	C3	C4	113.5°	90.0°
N1	C3	H3	110.2°	90.0°
C3	N1	H6	109.5°	90.0°
C3	N1	H7	109.4°	90.0°
C3	C4	C1	112.5°	90.0°
C4	C3	H3	108.9°	90.0°
C3	C4	H8	108.7°	90.0°
C3	C4	H9	108.7°	90.0°
C8	C9	C2	120.1°	90.0°
C9	C8	C7	120.0°	90.0°
C9	C8	H13	120.0°	90.0°
C8	C9	H14	120.0°	90.0°
C9	C2	C1	120.3°	90.0°
C9	C2	C5	119.9°	90.0°
C2	C9	H14	120.0°	90.0°
C8	C7	C6	119.9°	90.0°
C8	C7	H12	120.0°	90.0°
C7	C8	H13	120.0°	90.0°
C4	C1	C2	107.8°	90.0°
C4	C1	H1	109.9°	90.0°
C4	C1	H2	109.9°	90.0°
C1	C4	H8	108.7°	90.0°
C1	C4	H9	108.7°	90.0°
C1	C2	C5	119.8°	90.0°
C2	C1	H1	109.9°	90.0°
C2	C1	H2	109.9°	90.0°
C2	C5	C6	120.1°	90.0°
C2	C5	H10	120.0°	90.0°
C7	C6	C5	120.0°	90.0°
C7	C6	H11	120.0°	90.0°
C6	C7	H12	120.0°	90.0°
C6	C5	H10	120.0°	90.0°
C5	C6	H11	120.0°	90.0°
H1	C1	H2	109.5°	90.0°
H6	N1	H7	109.5°	90.0°
H8	C4	H9	109.5°	90.0°
C11	C10	C12	109.6°	90.0°
C11	C10	C16	108.5°	90.0°
C10	C11	O3	118.2°	90.0°
C11	C10	H15	110.8°	90.0°
C10	C11	N2	124.3°	90.0°
C12	C10	C16	106.2°	90.0°
C10	C12	C13	112.5°	90.0°
C12	C10	H15	110.7°	90.0°
C10	C12	H16	108.7°	90.0°
C10	C12	H17	108.7°	90.0°
C16	C10	H15	110.9°	90.0°
C10	C16	H18	109.4°	90.0°
C10	C16	H19	109.4°	90.0°
C10	C16	P1	109.8°	90.0°
O3	C11	N2	117.5°	90.0°
C12	C13	C14	110.4°	90.0°
C12	C13	C15	110.4°	90.0°
C13	C12	H16	108.7°	90.0°
C13	C12	H17	108.7°	90.0°
C12	C13	H20	108.5°	90.0°
C14	C13	C15	109.9°	90.0°
C14	C13	H20	108.9°	90.0°
C13	C14	H21	109.5°	90.0°
C13	C14	H22	109.5°	90.0°
C13	C14	H23	109.5°	90.0°
C15	C13	H20	108.8°	90.0°
C13	C15	H24	109.5°	90.0°
C13	C15	H25	109.5°	90.0°
C13	C15	H26	109.5°	90.0°
H16	C12	H17	109.5°	90.0°
H18	C16	H19	109.5°	90.0°
H18	C16	P1	109.4°	90.0°
H19	C16	P1	109.4°	90.0°
H21	C14	H22	109.5°	90.0°
H21	C14	H23	109.5°	90.0°
H22	C14	H23	109.4°	90.0°
H24	C15	H25	109.5°	90.0°
H24	C15	H26	109.4°	90.0°
H25	C15	H26	109.5°	90.0°
C17	N2	H27	116.6°	90.0°
N2	C17	C18	112.8°	90.0°
N2	C17	C19	111.0°	90.0°
N2	C17	H28	107.7°	90.0°
C17	N2	C11	126.8°	90.0°
H27	N2	C11	116.6°	90.0°
C18	C17	C19	111.2°	90.0°
C18	C17	H28	106.7°	90.0°
C17	C18	O4	121.3°	90.0°
C17	C18	N3	117.8°	90.0°
C19	C17	H28	107.1°	90.0°
C17	C19	O5	109.6°	90.0°
C17	C19	C20	109.8°	90.0°
C17	C19	H29	108.6°	90.0°
O4	C18	N3	121.0°	90.0°
O5	C19	C20	110.3°	90.0°
O5	C19	H29	110.1°	90.0°
C19	O5	H30	109.5°	90.0°
C20	C19	H29	108.3°	90.0°
C19	C20	H31	109.5°	90.0°
C19	C20	H32	109.4°	90.0°
C19	C20	H33	109.5°	90.0°
H31	C20	H32	109.5°	90.0°
H31	C20	H33	109.5°	90.0°
H32	C20	H33	109.5°	90.0°
C21	N3	H34	118.6°	90.0°
N3	C21	C22	107.9°	90.0°
N3	C21	C23	109.4°	90.0°
N3	C21	H35	111.0°	90.0°
C21	N3	C18	122.8°	90.0°
H34	N3	C18	118.6°	90.0°
C22	C21	C23	108.2°	90.0°
C22	C21	H35	110.0°	90.0°
C21	C22	O6	119.1°	90.0°
C21	C22	N4	121.9°	90.0°
C23	C21	H35	110.1°	90.0°
C21	C23	C24	108.4°	90.0°
C21	C23	H36	109.7°	90.0°
C21	C23	H37	109.8°	90.0°
O6	C22	N4	119.0°	90.0°
C24	C23	H36	109.8°	90.0°
C24	C23	H37	109.7°	90.0°
C23	C24	C25	120.3°	90.0°
C23	C24	C26	119.7°	90.0°
H36	C23	H37	109.4°	90.0°
C25	C24	C26	119.9°	90.0°
C24	C25	C27	120.2°	90.0°
C24	C25	H38	119.9°	90.0°
C24	C26	C28	119.8°	90.0°
C24	C26	H39	120.1°	90.0°
C27	C25	H38	119.9°	90.0°
C25	C27	C29	119.9°	90.0°
C25	C27	H40	120.0°	90.0°
C28	C26	H39	120.1°	90.0°
C26	C28	C29	120.2°	90.0°
C26	C28	H41	119.9°	90.0°
C29	C27	H40	120.1°	90.0°
C27	C29	C28	119.9°	90.0°
C27	C29	H42	120.0°	90.0°
C29	C28	H41	119.9°	90.0°
C28	C29	H42	120.1°	90.0°
C30	N4	C34	108.2°	90.0°
N4	C30	C31	110.3°	90.0°
N4	C30	C32	104.9°	90.0°
N4	C30	H43	113.2°	90.0°
C30	N4	C22	127.0°	90.0°
N4	C34	C33	107.8°	90.0°
N4	C34	H48	109.9°	90.0°
N4	C34	H49	109.9°	90.0°
C34	N4	C22	124.8°	90.0°
C31	C30	C32	109.2°	90.0°
C31	C30	H43	109.9°	90.0°
C30	C31	O7	119.6°	90.0°
C30	C31	N5	81.2°	90.0°
C32	C30	H43	109.0°	90.0°
C30	C32	C33	102.5°	90.0°
C30	C32	H44	111.2°	90.0°
C30	C32	H45	111.2°	90.0°
O7	C31	N5	76.9°	90.0°
C33	C32	H44	111.2°	90.0°
C33	C32	H45	111.2°	90.0°
C32	C33	C34	104.4°	90.0°
C32	C33	H46	110.7°	90.0°
C32	C33	H47	110.7°	90.0°
H44	C32	H45	109.5°	90.0°
C34	C33	H46	110.7°	90.0°
C34	C33	H47	110.7°	90.0°
C33	C34	H48	109.9°	90.0°
C33	C34	H49	109.9°	90.0°
H46	C33	H47	109.5°	90.0°
H48	C34	H49	109.5°	90.0°
C35	N5	H50	90.0°	90.0°
N5	C35	C36	90.0°	90.0°
N5	C35	C37	90.0°	90.0°
N5	C35	H51	90.0°	90.0°
C35	N5	C31	90.0°	90.0°
H50	N5	C31	90.0°	90.0°
C36	C35	C37	90.0°	90.0°
C36	C35	H51	90.0°	90.0°
C35	C36	O8	90.0°	90.0°
C35	C36	N6	90.0°	90.0°
C37	C35	H51	90.0°	90.0°
C35	C37	C38	90.0°	90.0°
C35	C37	H52	90.0°	90.0°
C35	C37	H53	90.0°	90.0°
O8	C36	N6	90.0°	90.0°
C38	C37	H52	90.0°	90.0°
C38	C37	H53	90.0°	90.0°
C37	C38	C39	90.0°	90.0°
C37	C38	H54	90.0°	90.0°
C37	C38	H55	90.0°	90.0°
H52	C37	H53	90.0°	90.0°
C39	C38	H54	90.0°	90.0°
C39	C38	H55	90.0°	90.0°
C38	C39	O9	90.0°	90.0°
C38	C39	O10	90.0°	90.0°
H54	C38	H55	90.0°	90.0°
O9	C39	O10	90.0°	90.0°
C39	O10	H56	90.0°	90.0°
C40	N6	H57	90.0°	90.0°
N6	C40	C41	90.0°	90.0°
N6	C40	C42	90.0°	90.0°
N6	C40	H58	90.0°	90.0°
C40	N6	C36	90.0°	90.0°
H57	N6	C36	90.0°	90.0°
C41	C40	C42	90.0°	90.0°
C41	C40	H58	90.0°	90.0°
C40	C41	O11	90.0°	90.0°
C40	C41	N7	90.0°	90.0°
C42	C40	H58	90.0°	90.0°
C40	C42	O12	90.0°	90.0°
C40	C42	C43	90.0°	90.0°
C40	C42	H59	90.0°	90.0°
O11	C41	N7	90.0°	90.0°
O12	C42	C43	90.0°	90.0°
O12	C42	H59	90.0°	90.0°
C42	O12	H60	90.0°	90.0°
C43	C42	H59	90.0°	90.0°
C42	C43	H61	90.0°	90.0°
C42	C43	H62	90.0°	90.0°
C42	C43	H63	90.0°	90.0°
H61	C43	H62	90.0°	90.0°
H61	C43	H63	90.0°	90.0°
H62	C43	H63	90.0°	90.0°
C44	N7	H64	90.0°	90.0°
N7	C44	C45	90.0°	90.0°
N7	C44	C46	90.0°	90.0°
N7	C44	H65	90.0°	90.0°
C44	N7	C41	90.0°	90.0°
H64	N7	C41	90.0°	90.0°
C45	C44	C46	90.0°	90.0°
C45	C44	H65	90.0°	90.0°
C44	C45	O13	90.0°	90.0°
C44	C45	N8	90.0°	90.0°
C46	C44	H65	90.0°	90.0°
C44	C46	C47	90.0°	90.0°
C44	C46	H66	90.0°	90.0°
C44	C46	H67	90.0°	90.0°
O13	C45	N8	90.0°	90.0°
C47	C46	H66	90.0°	90.0°
C47	C46	H67	90.0°	90.0°
C46	C47	C48	90.0°	90.0°
C46	C47	C49	90.0°	90.0°
C46	C47	H68	90.0°	90.0°
H66	C46	H67	90.0°	90.0°
C48	C47	C49	90.0°	90.0°
C48	C47	H68	90.0°	90.0°
C47	C48	H69	90.0°	90.0°
C47	C48	H70	90.0°	90.0°
C47	C48	H71	90.0°	90.0°
C49	C47	H68	90.0°	90.0°
C47	C49	H72	90.0°	90.0°
C47	C49	H73	90.0°	90.0°
C47	C49	H74	90.0°	90.0°
H69	C48	H70	90.0°	90.0°
H69	C48	H71	90.0°	90.0°
H70	C48	H71	90.0°	90.0°
H72	C49	H73	90.0°	90.0°
H72	C49	H74	90.0°	90.0°
H73	C49	H74	90.0°	90.0°
C50	N8	H75	90.0°	90.0°
N8	C50	C51	90.0°	90.0°
N8	C50	C52	90.0°	90.0°
N8	C50	H76	90.0°	90.0°
C50	N8	C45	90.0°	90.0°
H75	N8	C45	90.0°	90.0°
C51	C50	C52	90.0°	90.0°
C51	C50	H76	90.0°	90.0°
C50	C51	O14	90.0°	90.0°
C50	C51	N9	90.0°	90.0°
C52	C50	H76	90.0°	90.0°
C50	C52	O15	90.0°	90.0°
C50	C52	C53	90.0°	90.0°
C50	C52	H77	90.0°	90.0°
O14	C51	N9	90.0°	90.0°
O15	C52	C53	90.0°	90.0°
O15	C52	H77	90.0°	90.0°
C52	O15	H78	90.0°	90.0°
C53	C52	H77	90.0°	90.0°
C52	C53	H79	90.0°	90.0°
C52	C53	H80	90.0°	90.0°
C52	C53	H81	90.0°	90.0°
H79	C53	H80	90.0°	90.0°
H79	C53	H81	90.0°	90.0°
H80	C53	H81	90.0°	90.0°
C54	N9	H82	90.0°	90.0°
N9	C54	C55	90.0°	90.0°
N9	C54	C56	90.0°	90.0°
N9	C54	H83	90.0°	90.0°
C54	N9	C51	90.0°	90.0°
H82	N9	C51	90.0°	90.0°
C55	C54	C56	90.0°	90.0°
C55	C54	H83	90.0°	90.0°
C54	C55	O16	90.0°	90.0°
C54	C55	O18	90.0°	90.0°
C56	C54	H83	90.0°	90.0°
C54	C56	C57	90.0°	90.0°
C54	C56	H84	90.0°	90.0°
C54	C56	H85	90.0°	90.0°
O16	C55	O18	90.0°	90.0°
C55	O18	H91	90.0°	90.0°
C57	C56	H84	90.0°	90.0°
C57	C56	H85	90.0°	90.0°
C56	C57	C58	90.0°	90.0°
C56	C57	C59	90.0°	90.0°
H84	C56	H85	90.0°	90.0°
C58	C57	C59	90.0°	90.0°
C57	C58	C60	90.0°	90.0°
C57	C58	H86	90.0°	90.0°
C57	C59	C61	90.0°	90.0°
C57	C59	H87	90.0°	90.0°
C60	C58	H86	90.0°	90.0°
C58	C60	C62	90.0°	90.0°
C58	C60	H88	90.0°	90.0°
C61	C59	H87	90.0°	90.0°
C59	C61	C62	90.0°	90.0°
C59	C61	H89	90.0°	90.0°
C62	C60	H88	90.0°	90.0°
C60	C62	C61	90.0°	90.0°
C60	C62	O17	90.0°	90.0°
C62	C61	H89	90.0°	90.0°
C61	C62	O17	90.0°	90.0°
C62	O17	H90	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	P1	C3	O1	121.2°	90.0°
O2	P1	C3	C16	118.7°	90.0°
O2	P1	O1	C16	117.9°	90.0°
O2	P1	C3	N1	73.6°	90.0°
O2	P1	C3	C4	51.2°	90.0°
O2	P1	C3	H3	168.1°	90.0°
O2	P1	O1	H4	180.0°	90.0°
O2	P1	C16	C10	37.4°	90.0°
O2	P1	C16	H18	82.6°	90.0°
O2	P1	C16	H19	157.4°	90.0°
C3	P1	O1	C16	117.6°	90.0°
P1	C3	N1	C4	122.3°	90.0°
P1	C3	N1	H3	115.3°	90.0°
P1	C3	C4	H3	114.7°	90.0°
P1	C3	C4	C1	108.7°	90.0°
C3	P1	O1	H4	55.4°	90.0°
C3	P1	O2	H5	180.0°	90.0°
P1	C3	N1	H6	180.0°	90.0°
P1	C3	N1	H7	60.0°	90.0°
P1	C3	C4	H8	11.7°	90.0°
P1	C3	C4	H9	130.8°	90.0°
C3	P1	C16	C10	161.4°	90.0°
C3	P1	C16	H18	41.4°	90.0°
C3	P1	C16	H19	78.6°	90.0°
O1	P1	C3	N1	47.6°	90.0°
O1	P1	C3	C4	172.4°	90.0°
O1	P1	C3	H3	70.7°	90.0°
O1	P1	O2	H5	60.9°	90.0°
O1	P1	C16	C10	82.4°	90.0°
O1	P1	C16	H18	157.6°	90.0°
O1	P1	C16	H19	37.6°	90.0°
N1	C3	C4	H3	123.1°	90.0°
N1	C3	C4	C1	13.5°	90.0°
C3	N1	H6	H7	120.0°	90.0°
N1	C3	C4	H8	133.9°	90.0°
N1	C3	C4	H9	107.0°	90.0°
N1	C3	P1	C16	167.7°	90.0°
C3	C4	C1	H8	120.5°	90.0°
C3	C4	C1	H9	120.5°	90.0°
C3	C4	C1	C2	167.8°	90.0°
C3	C4	C1	H1	48.1°	90.0°
C3	C4	C1	H2	72.5°	90.0°
C4	C3	N1	H6	57.7°	90.0°
C4	C3	N1	H7	177.7°	90.0°
C3	C4	H8	H9	118.7°	90.0°
C4	C3	P1	C16	67.5°	90.0°
C8	C9	C2	H14	180.0°	90.0°
C9	C8	C7	H13	180.0°	90.0°
C8	C9	C2	C1	179.8°	90.0°
C8	C9	C2	C5	0.4°	90.0°
C9	C8	C7	C6	0.1°	90.0°
C9	C8	C7	H12	180.0°	90.0°
C2	C9	C8	C7	0.2°	90.0°
C9	C2	C1	C4	106.8°	90.0°
C9	C2	C1	C5	179.4°	90.0°
C9	C2	C5	C6	0.4°	90.0°
C9	C2	C1	H1	12.9°	90.0°
C9	C2	C1	H2	133.5°	90.0°
C9	C2	C5	H10	179.6°	90.0°
C2	C9	C8	H13	179.8°	90.0°
C8	C7	C6	H12	180.0°	90.0°
C8	C7	C6	C5	0.1°	90.0°
C8	C7	C6	H11	179.9°	90.0°
C7	C8	C9	H14	179.8°	90.0°
C4	C1	C2	H1	119.7°	90.0°
C4	C1	C2	H2	119.7°	90.0°
C4	C1	C2	C5	72.6°	90.0°
C4	C1	H1	H2	120.8°	90.0°
C1	C4	C3	H3	136.6°	90.0°
C1	C4	H8	H9	118.6°	90.0°
C1	C2	C5	C6	179.8°	90.0°
C2	C1	H1	H2	120.8°	90.0°
C2	C1	C4	H8	71.7°	90.0°
C2	C1	C4	H9	47.3°	90.0°
C1	C2	C5	H10	0.2°	90.0°
C1	C2	C9	H14	0.2°	90.0°
C2	C5	C6	C7	0.3°	90.0°
C2	C5	C6	H10	180.0°	90.0°
C5	C2	C1	H1	167.7°	90.0°
C5	C2	C1	H2	47.1°	90.0°
C2	C5	C6	H11	179.7°	90.0°
C5	C2	C9	H14	179.6°	90.0°
C7	C6	C5	H11	180.0°	90.0°
C7	C6	C5	H10	179.7°	90.0°
C6	C7	C8	H13	180.0°	90.0°
C5	C6	C7	H12	179.9°	90.0°
H1	C1	C4	H8	168.5°	90.0°
H1	C1	C4	H9	72.4°	90.0°
H2	C1	C4	H8	48.0°	90.0°
H2	C1	C4	H9	167.0°	90.0°
H3	C3	N1	H6	64.7°	90.0°
H3	C3	N1	H7	55.3°	90.0°
H3	C3	C4	H8	103.0°	90.0°
H3	C3	C4	H9	16.1°	90.0°
H3	C3	P1	C16	49.4°	90.0°
H4	O1	P1	C16	62.1°	90.0°
H5	O2	P1	C16	60.4°	90.0°
H10	C5	C6	H11	0.3°	90.0°
H11	C6	C7	H12	0.1°	90.0°
H12	C7	C8	H13	0.0°	90.0°
H13	C8	C9	H14	0.2°	90.0°
C11	C10	C12	C16	117.0°	90.0°
C11	C10	C12	H15	122.5°	90.0°
C11	C10	C16	H15	121.9°	90.0°
C10	C11	O3	N2	179.9°	90.0°
C11	C10	C12	C13	48.4°	90.0°
C11	C10	C12	H16	168.8°	90.0°
C11	C10	C12	H17	72.0°	90.0°
C11	C10	C16	H18	55.9°	90.0°
C11	C10	C16	H19	64.0°	90.0°
C10	C11	N2	C17	0.1°	90.0°
C10	C11	N2	H27	179.9°	90.0°
C11	C10	C16	P1	176.0°	90.0°
C12	C10	C16	H15	120.4°	90.0°
C12	C10	C11	O3	44.5°	90.0°
C10	C12	C13	H16	120.4°	90.0°
C10	C12	C13	H17	120.4°	90.0°
C10	C12	C13	C14	93.1°	90.0°
C10	C12	C13	C15	28.6°	90.0°
C10	C12	H16	H17	118.6°	90.0°
C12	C10	C16	H18	173.7°	90.0°
C12	C10	C16	H19	53.8°	90.0°
C10	C12	C13	H20	147.7°	90.0°
C12	C10	C16	P1	66.3°	90.0°
C12	C10	C11	N2	135.6°	90.0°
C16	C10	C11	O3	71.1°	90.0°
C16	C10	C12	C13	165.4°	90.0°
C16	C10	C12	H16	74.1°	90.0°
C16	C10	C12	H17	45.0°	90.0°
C10	C16	H18	H19	119.8°	90.0°
C10	C16	H18	P1	120.3°	90.0°
C10	C16	H19	P1	120.3°	90.0°
C16	C10	C11	N2	108.8°	90.0°
O3	C11	C10	H15	166.9°	90.0°
O3	C11	N2	C17	179.8°	90.0°
O3	C11	N2	H27	0.2°	90.0°
C12	C13	C14	C15	122.0°	90.0°
C12	C13	C14	H20	119.0°	90.0°
C12	C13	C15	H20	118.9°	90.0°
C13	C12	C10	H15	74.1°	90.0°
C13	C12	H16	H17	118.6°	90.0°
C12	C13	C14	H21	180.0°	90.0°
C12	C13	C14	H22	60.0°	90.0°
C12	C13	C14	H23	60.0°	90.0°
C12	C13	C15	H24	180.0°	90.0°
C12	C13	C15	H25	60.0°	90.0°
C12	C13	C15	H26	60.0°	90.0°
C14	C13	C15	H20	119.1°	90.0°
C14	C13	C12	H16	146.5°	90.0°
C14	C13	C12	H17	27.4°	90.0°
C13	C14	H21	H22	120.0°	90.0°
C13	C14	H21	H23	120.0°	90.0°
C13	C14	H22	H23	120.0°	90.0°
C14	C13	C15	H24	58.1°	90.0°
C14	C13	C15	H25	61.9°	90.0°
C14	C13	C15	H26	178.1°	90.0°
C15	C13	C12	H16	91.8°	90.0°
C15	C13	C12	H17	149.0°	90.0°
C15	C13	C14	H21	58.0°	90.0°
C15	C13	C14	H22	178.1°	90.0°
C15	C13	C14	H23	62.0°	90.0°
C13	C15	H24	H25	120.0°	90.0°
C13	C15	H24	H26	120.0°	90.0°
C13	C15	H25	H26	120.0°	90.0°
H15	C10	C12	H16	46.4°	90.0°
H15	C10	C12	H17	165.5°	90.0°
H15	C10	C16	H18	66.0°	90.0°
H15	C10	C16	H19	174.1°	90.0°
H15	C10	C16	P1	54.1°	90.0°
H15	C10	C11	N2	13.2°	90.0°
H16	C12	C13	H20	27.3°	90.0°
H17	C12	C13	H20	91.9°	90.0°
H18	C16	H19	P1	119.9°	90.0°
H20	C13	C14	H21	61.1°	90.0°
H20	C13	C14	H22	59.0°	90.0°
H20	C13	C14	H23	179.0°	90.0°
H20	C13	C15	H24	61.1°	90.0°
H20	C13	C15	H25	178.9°	90.0°
H20	C13	C15	H26	58.9°	90.0°
H21	C14	H22	H23	120.0°	90.0°
H24	C15	H25	H26	120.0°	90.0°
C17	N2	H27	C11	180.0°	90.0°
N2	C17	C18	C19	125.5°	90.0°
N2	C17	C18	H28	118.0°	90.0°
N2	C17	C19	H28	117.3°	90.0°
N2	C17	C18	O4	81.5°	90.0°
N2	C17	C19	O5	158.4°	90.0°
N2	C17	C19	C20	37.1°	90.0°
N2	C17	C19	H29	81.2°	90.0°
N2	C17	C18	N3	99.0°	90.0°
H27	N2	C17	C18	136.2°	90.0°
H27	N2	C17	C19	98.2°	90.0°
H27	N2	C17	H28	18.7°	90.0°
C18	C17	C19	H28	116.3°	90.0°
C17	C18	O4	N3	179.4°	90.0°
C18	C17	C19	O5	32.0°	90.0°
C18	C17	C19	C20	89.4°	90.0°
C18	C17	C19	H29	152.3°	90.0°
C17	C18	N3	C21	179.1°	90.0°
C17	C18	N3	H34	0.9°	90.0°
C18	C17	N2	C11	43.8°	90.0°
C19	C17	C18	O4	43.9°	90.0°
C17	C19	O5	C20	121.0°	90.0°
C17	C19	O5	H29	119.4°	90.0°
C17	C19	C20	H29	118.5°	90.0°
C17	C19	O5	H30	41.3°	90.0°
C17	C19	C20	H31	180.0°	90.0°
C17	C19	C20	H32	60.0°	90.0°
C17	C19	C20	H33	60.0°	90.0°
C19	C17	N2	C11	81.8°	90.0°
C19	C17	C18	N3	135.5°	90.0°
H28	C17	C18	O4	160.5°	90.0°
H28	C17	C19	O5	84.3°	90.0°
H28	C17	C19	C20	154.4°	90.0°
H28	C17	C19	H29	36.1°	90.0°
H28	C17	N2	C11	161.3°	90.0°
H28	C17	C18	N3	19.0°	90.0°
O4	C18	N3	C21	0.3°	90.0°
O4	C18	N3	H34	179.7°	90.0°
O5	C19	C20	H29	120.6°	90.0°
O5	C19	C20	H31	59.1°	90.0°
O5	C19	C20	H32	179.1°	90.0°
O5	C19	C20	H33	60.9°	90.0°
C20	C19	O5	H30	79.7°	90.0°
C19	C20	H31	H32	120.0°	90.0°
C19	C20	H31	H33	120.0°	90.0°
C19	C20	H32	H33	120.0°	90.0°
H29	C19	O5	H30	160.7°	90.0°
H29	C19	C20	H31	61.5°	90.0°
H29	C19	C20	H32	58.5°	90.0°
H29	C19	C20	H33	178.5°	90.0°
H31	C20	H32	H33	120.0°	90.0°
C21	N3	H34	C18	180.0°	90.0°
N3	C21	C22	C23	118.4°	90.0°
N3	C21	C22	H35	121.2°	90.0°
N3	C21	C23	H35	122.3°	90.0°
N3	C21	C22	O6	147.9°	90.0°
N3	C21	C23	C24	53.8°	90.0°
N3	C21	C23	H36	173.6°	90.0°
N3	C21	C23	H37	66.1°	90.0°
N3	C21	C22	N4	31.5°	90.0°
H34	N3	C21	C22	43.5°	90.0°
H34	N3	C21	C23	74.1°	90.0°
H34	N3	C21	H35	164.1°	90.0°
C22	C21	C23	H35	120.3°	90.0°
C21	C22	O6	N4	179.4°	90.0°
C22	C21	C23	C24	63.6°	90.0°
C22	C21	C23	H36	56.2°	90.0°
C22	C21	C23	H37	176.5°	90.0°
C21	C22	N4	C30	0.6°	90.0°
C21	C22	N4	C34	179.8°	90.0°
C22	C21	N3	C18	136.5°	90.0°
C23	C21	C22	O6	29.6°	90.0°
C21	C23	C24	H36	119.8°	90.0°
C21	C23	C24	H37	119.9°	90.0°
C21	C23	H36	H37	120.5°	90.0°
C21	C23	C24	C25	95.6°	90.0°
C21	C23	C24	C26	83.6°	90.0°
C23	C21	N3	C18	105.9°	90.0°
C23	C21	C22	N4	149.8°	90.0°
H35	C21	C22	O6	90.8°	90.0°
H35	C21	C23	C24	176.0°	90.0°
H35	C21	C23	H36	64.1°	90.0°
H35	C21	C23	H37	56.2°	90.0°
H35	C21	N3	C18	15.9°	90.0°
H35	C21	C22	N4	89.8°	90.0°
O6	C22	N4	C30	180.0°	90.0°
O6	C22	N4	C34	0.4°	90.0°
C24	C23	H36	H37	120.5°	90.0°
C23	C24	C25	C26	179.3°	90.0°
C23	C24	C25	C27	179.7°	90.0°
C23	C24	C25	H38	0.3°	90.0°
C23	C24	C26	C28	179.7°	90.0°
C23	C24	C26	H39	0.3°	90.0°
H36	C23	C24	C25	144.5°	90.0°
H36	C23	C24	C26	36.2°	90.0°
H37	C23	C24	C25	24.2°	90.0°
H37	C23	C24	C26	156.5°	90.0°
C24	C25	C27	H38	180.0°	90.0°
C25	C24	C26	C28	0.4°	90.0°
C25	C24	C26	H39	179.6°	90.0°
C24	C25	C27	C29	0.1°	90.0°
C24	C25	C27	H40	179.9°	90.0°
C26	C24	C25	C27	0.4°	90.0°
C26	C24	C25	H38	179.6°	90.0°
C24	C26	C28	H39	180.0°	90.0°
C24	C26	C28	C29	0.1°	90.0°
C24	C26	C28	H41	179.9°	90.0°
C25	C27	C29	H40	180.0°	90.0°
C25	C27	C29	C28	0.2°	90.0°
C25	C27	C29	H42	179.8°	90.0°
H38	C25	C27	C29	179.9°	90.0°
H38	C25	C27	H40	0.2°	90.0°
C26	C28	C29	C27	0.2°	90.0°
C26	C28	C29	H41	180.0°	90.0°
C26	C28	C29	H42	179.8°	90.0°
H39	C26	C28	C29	179.9°	90.0°
H39	C26	C28	H41	0.1°	90.0°
C27	C29	C28	H42	180.0°	90.0°
C27	C29	C28	H41	179.8°	90.0°
H40	C27	C29	C28	179.9°	90.0°
H40	C27	C29	H42	0.2°	90.0°
H41	C28	C29	H42	0.2°	90.0°
C30	N4	C34	C22	179.7°	90.0°
N4	C30	C31	C32	114.8°	90.0°
N4	C30	C31	H43	125.6°	90.0°
N4	C30	C32	H43	121.6°	90.0°
N4	C30	C31	O7	159.2°	90.0°
N4	C30	C32	C33	34.1°	90.0°
N4	C30	C32	H44	153.0°	90.0°
N4	C30	C32	H45	84.7°	90.0°
C30	N4	C34	C33	2.1°	90.0°
C30	N4	C34	H48	121.8°	90.0°
C30	N4	C34	H49	117.6°	90.0°
N4	C30	C31	N5	131.4°	90.0°
C34	N4	C30	C31	95.1°	90.0°
C34	N4	C30	C32	22.3°	90.0°
C34	N4	C30	H43	141.2°	90.0°
N4	C34	C33	C32	19.9°	90.0°
N4	C34	C33	H48	119.7°	90.0°
N4	C34	C33	H49	119.8°	90.0°
N4	C34	C33	H46	99.3°	90.0°
N4	C34	C33	H47	139.1°	90.0°
N4	C34	H48	H49	120.8°	90.0°
C31	C30	C32	H43	120.1°	90.0°
C30	C31	O7	N5	71.7°	90.0°
C31	C30	C32	C33	84.1°	90.0°
C31	C30	C32	H44	34.7°	90.0°
C31	C30	C32	H45	157.0°	90.0°
C30	C31	N5	C35	90.0°	90.0°
C30	C31	N5	H50	90.0°	90.0°
C31	C30	N4	C22	85.2°	90.0°
C32	C30	C31	O7	85.9°	90.0°
C30	C32	C33	H44	118.9°	90.0°
C30	C32	C33	H45	118.9°	90.0°
C30	C32	H44	H45	123.2°	90.0°
C30	C32	C33	C34	32.2°	90.0°
C30	C32	C33	H46	87.0°	90.0°
C30	C32	C33	H47	151.4°	90.0°
C32	C30	N4	C22	157.3°	90.0°
C32	C30	C31	N5	16.6°	90.0°
H43	C30	C31	O7	33.6°	90.0°
H43	C30	C32	C33	155.8°	90.0°
H43	C30	C32	H44	85.4°	90.0°
H43	C30	C32	H45	36.9°	90.0°
H43	C30	N4	C22	38.5°	90.0°
H43	C30	C31	N5	103.0°	90.0°
O7	C31	N5	C35	90.0°	90.0°
O7	C31	N5	H50	90.0°	90.0°
C33	C32	H44	H45	123.2°	90.0°
C32	C33	C34	H46	119.2°	90.0°
C32	C33	C34	H47	119.2°	90.0°
C32	C33	H46	H47	122.3°	90.0°
C32	C33	C34	H48	99.9°	90.0°
C32	C33	C34	H49	139.6°	90.0°
H44	C32	C33	C34	151.1°	90.0°
H44	C32	C33	H46	31.9°	90.0°
H44	C32	C33	H47	89.7°	90.0°
H45	C32	C33	C34	86.7°	90.0°
H45	C32	C33	H46	154.1°	90.0°
H45	C32	C33	H47	32.5°	90.0°
C34	C33	H46	H47	122.3°	90.0°
C33	C34	H48	H49	120.8°	90.0°
C33	C34	N4	C22	177.6°	90.0°
H46	C33	C34	H48	141.0°	90.0°
H46	C33	C34	H49	20.4°	90.0°
H47	C33	C34	H48	19.4°	90.0°
H47	C33	C34	H49	101.2°	90.0°
H48	C34	N4	C22	57.8°	90.0°
H49	C34	N4	C22	62.7°	90.0°
C35	N5	H50	C31	90.0°	90.0°
N5	C35	C36	C37	90.0°	90.0°
N5	C35	C36	H51	90.0°	90.0°
N5	C35	C37	H51	90.0°	90.0°
N5	C35	C36	O8	90.0°	90.0°
N5	C35	C37	C38	90.0°	90.0°
N5	C35	C37	H52	90.0°	90.0°
N5	C35	C37	H53	90.0°	90.0°
N5	C35	C36	N6	90.0°	90.0°
H50	N5	C35	C36	90.0°	90.0°
H50	N5	C35	C37	90.0°	90.0°
H50	N5	C35	H51	90.0°	90.0°
C36	C35	C37	H51	90.0°	90.0°
C35	C36	O8	N6	90.0°	90.0°
C36	C35	C37	C38	90.0°	90.0°
C36	C35	C37	H52	90.0°	90.0°
C36	C35	C37	H53	90.0°	90.0°
C35	C36	N6	C40	90.0°	90.0°
C35	C36	N6	H57	90.0°	90.0°
C36	C35	N5	C31	90.0°	90.0°
C37	C35	C36	O8	90.0°	90.0°
C35	C37	C38	H52	90.0°	90.0°
C35	C37	C38	H53	90.0°	90.0°
C35	C37	H52	H53	90.0°	90.0°
C35	C37	C38	C39	90.0°	90.0°
C35	C37	C38	H54	90.0°	90.0°
C35	C37	C38	H55	90.0°	90.0°
C37	C35	N5	C31	90.0°	90.0°
C37	C35	C36	N6	90.0°	90.0°
H51	C35	C36	O8	90.0°	90.0°
H51	C35	C37	C38	90.0°	90.0°
H51	C35	C37	H52	90.0°	90.0°
H51	C35	C37	H53	90.0°	90.0°
H51	C35	N5	C31	90.0°	90.0°
H51	C35	C36	N6	90.0°	90.0°
O8	C36	N6	C40	90.0°	90.0°
O8	C36	N6	H57	90.0°	90.0°
C38	C37	H52	H53	90.0°	90.0°
C37	C38	C39	H54	90.0°	90.0°
C37	C38	C39	H55	90.0°	90.0°
C37	C38	H54	H55	90.0°	90.0°
C37	C38	C39	O9	90.0°	90.0°
C37	C38	C39	O10	90.0°	90.0°
H52	C37	C38	C39	90.0°	90.0°
H52	C37	C38	H54	90.0°	90.0°
H52	C37	C38	H55	90.0°	90.0°
H53	C37	C38	C39	90.0°	90.0°
H53	C37	C38	H54	90.0°	90.0°
H53	C37	C38	H55	90.0°	90.0°
C39	C38	H54	H55	90.0°	90.0°
C38	C39	O9	O10	90.0°	90.0°
C38	C39	O10	H56	90.0°	90.0°
H54	C38	C39	O9	90.0°	90.0°
H54	C38	C39	O10	90.0°	90.0°
H55	C38	C39	O9	90.0°	90.0°
H55	C38	C39	O10	90.0°	90.0°
O9	C39	O10	H56	90.0°	90.0°
C40	N6	H57	C36	90.0°	90.0°
N6	C40	C41	C42	90.0°	90.0°
N6	C40	C41	H58	90.0°	90.0°
N6	C40	C42	H58	90.0°	90.0°
N6	C40	C41	O11	90.0°	90.0°
N6	C40	C42	O12	90.0°	90.0°
N6	C40	C42	C43	90.0°	90.0°
N6	C40	C42	H59	90.0°	90.0°
N6	C40	C41	N7	90.0°	90.0°
H57	N6	C40	C41	90.0°	90.0°
H57	N6	C40	C42	90.0°	90.0°
H57	N6	C40	H58	90.0°	90.0°
C41	C40	C42	H58	90.0°	90.0°
C40	C41	O11	N7	90.0°	90.0°
C41	C40	C42	O12	90.0°	90.0°
C41	C40	C42	C43	90.0°	90.0°
C41	C40	C42	H59	90.0°	90.0°
C40	C41	N7	C44	90.0°	90.0°
C40	C41	N7	H64	90.0°	90.0°
C41	C40	N6	C36	90.0°	90.0°
C42	C40	C41	O11	90.0°	90.0°
C40	C42	O12	C43	90.0°	90.0°
C40	C42	O12	H59	90.0°	90.0°
C40	C42	C43	H59	90.0°	90.0°
C40	C42	O12	H60	90.0°	90.0°
C40	C42	C43	H61	90.0°	90.0°
C40	C42	C43	H62	90.0°	90.0°
C40	C42	C43	H63	90.0°	90.0°
C42	C40	N6	C36	90.0°	90.0°
C42	C40	C41	N7	90.0°	90.0°
H58	C40	C41	O11	90.0°	90.0°
H58	C40	C42	O12	90.0°	90.0°
H58	C40	C42	C43	90.0°	90.0°
H58	C40	C42	H59	90.0°	90.0°
H58	C40	N6	C36	90.0°	90.0°
H58	C40	C41	N7	90.0°	90.0°
O11	C41	N7	C44	90.0°	90.0°
O11	C41	N7	H64	90.0°	90.0°
O12	C42	C43	H59	90.0°	90.0°
O12	C42	C43	H61	90.0°	90.0°
O12	C42	C43	H62	90.0°	90.0°
O12	C42	C43	H63	90.0°	90.0°
C43	C42	O12	H60	90.0°	90.0°
C42	C43	H61	H62	90.0°	90.0°
C42	C43	H61	H63	90.0°	90.0°
C42	C43	H62	H63	90.0°	90.0°
H59	C42	O12	H60	90.0°	90.0°
H59	C42	C43	H61	90.0°	90.0°
H59	C42	C43	H62	90.0°	90.0°
H59	C42	C43	H63	90.0°	90.0°
H61	C43	H62	H63	90.0°	90.0°
C44	N7	H64	C41	90.0°	90.0°
N7	C44	C45	C46	90.0°	90.0°
N7	C44	C45	H65	90.0°	90.0°
N7	C44	C46	H65	90.0°	90.0°
N7	C44	C45	O13	90.0°	90.0°
N7	C44	C46	C47	90.0°	90.0°
N7	C44	C46	H66	90.0°	90.0°
N7	C44	C46	H67	90.0°	90.0°
N7	C44	C45	N8	90.0°	90.0°
H64	N7	C44	C45	90.0°	90.0°
H64	N7	C44	C46	90.0°	90.0°
H64	N7	C44	H65	90.0°	90.0°
C45	C44	C46	H65	90.0°	90.0°
C44	C45	O13	N8	90.0°	90.0°
C45	C44	C46	C47	90.0°	90.0°
C45	C44	C46	H66	90.0°	90.0°
C45	C44	C46	H67	90.0°	90.0°
C44	C45	N8	C50	90.0°	90.0°
C44	C45	N8	H75	90.0°	90.0°
C45	C44	N7	C41	90.0°	90.0°
C46	C44	C45	O13	90.0°	90.0°
C44	C46	C47	H66	90.0°	90.0°
C44	C46	C47	H67	90.0°	90.0°
C44	C46	H66	H67	90.0°	90.0°
C44	C46	C47	C48	90.0°	90.0°
C44	C46	C47	C49	90.0°	90.0°
C44	C46	C47	H68	90.0°	90.0°
C46	C44	N7	C41	90.0°	90.0°
C46	C44	C45	N8	90.0°	90.0°
H65	C44	C45	O13	90.0°	90.0°
H65	C44	C46	C47	90.0°	90.0°
H65	C44	C46	H66	90.0°	90.0°
H65	C44	C46	H67	90.0°	90.0°
H65	C44	N7	C41	90.0°	90.0°
H65	C44	C45	N8	90.0°	90.0°
O13	C45	N8	C50	90.0°	90.0°
O13	C45	N8	H75	90.0°	90.0°
C47	C46	H66	H67	90.0°	90.0°
C46	C47	C48	C49	90.0°	90.0°
C46	C47	C48	H68	90.0°	90.0°
C46	C47	C49	H68	90.0°	90.0°
C46	C47	C48	H69	90.0°	90.0°
C46	C47	C48	H70	90.0°	90.0°
C46	C47	C48	H71	90.0°	90.0°
C46	C47	C49	H72	90.0°	90.0°
C46	C47	C49	H73	90.0°	90.0°
C46	C47	C49	H74	90.0°	90.0°
H66	C46	C47	C48	90.0°	90.0°
H66	C46	C47	C49	90.0°	90.0°
H66	C46	C47	H68	90.0°	90.0°
H67	C46	C47	C48	90.0°	90.0°
H67	C46	C47	C49	90.0°	90.0°
H67	C46	C47	H68	90.0°	90.0°
C48	C47	C49	H68	90.0°	90.0°
C47	C48	H69	H70	90.0°	90.0°
C47	C48	H69	H71	90.0°	90.0°
C47	C48	H70	H71	90.0°	90.0°
C48	C47	C49	H72	90.0°	90.0°
C48	C47	C49	H73	90.0°	90.0°
C48	C47	C49	H74	90.0°	90.0°
C49	C47	C48	H69	90.0°	90.0°
C49	C47	C48	H70	90.0°	90.0°
C49	C47	C48	H71	90.0°	90.0°
C47	C49	H72	H73	90.0°	90.0°
C47	C49	H72	H74	90.0°	90.0°
C47	C49	H73	H74	90.0°	90.0°
H68	C47	C48	H69	90.0°	90.0°
H68	C47	C48	H70	90.0°	90.0°
H68	C47	C48	H71	90.0°	90.0°
H68	C47	C49	H72	90.0°	90.0°
H68	C47	C49	H73	90.0°	90.0°
H68	C47	C49	H74	90.0°	90.0°
H69	C48	H70	H71	90.0°	90.0°
H72	C49	H73	H74	90.0°	90.0°
C50	N8	H75	C45	90.0°	90.0°
N8	C50	C51	C52	90.0°	90.0°
N8	C50	C51	H76	90.0°	90.0°
N8	C50	C52	H76	90.0°	90.0°
N8	C50	C51	O14	90.0°	90.0°
N8	C50	C52	O15	90.0°	90.0°
N8	C50	C52	C53	90.0°	90.0°
N8	C50	C52	H77	90.0°	90.0°
N8	C50	C51	N9	90.0°	90.0°
H75	N8	C50	C51	90.0°	90.0°
H75	N8	C50	C52	90.0°	90.0°
H75	N8	C50	H76	90.0°	90.0°
C51	C50	C52	H76	90.0°	90.0°
C50	C51	O14	N9	90.0°	90.0°
C51	C50	C52	O15	90.0°	90.0°
C51	C50	C52	C53	90.0°	90.0°
C51	C50	C52	H77	90.0°	90.0°
C50	C51	N9	C54	90.0°	90.0°
C50	C51	N9	H82	90.0°	90.0°
C51	C50	N8	C45	90.0°	90.0°
C52	C50	C51	O14	90.0°	90.0°
C50	C52	O15	C53	90.0°	90.0°
C50	C52	O15	H77	90.0°	90.0°
C50	C52	C53	H77	90.0°	90.0°
C50	C52	O15	H78	90.0°	90.0°
C50	C52	C53	H79	90.0°	90.0°
C50	C52	C53	H80	90.0°	90.0°
C50	C52	C53	H81	90.0°	90.0°
C52	C50	N8	C45	90.0°	90.0°
C52	C50	C51	N9	90.0°	90.0°
H76	C50	C51	O14	90.0°	90.0°
H76	C50	C52	O15	90.0°	90.0°
H76	C50	C52	C53	90.0°	90.0°
H76	C50	C52	H77	90.0°	90.0°
H76	C50	N8	C45	90.0°	90.0°
H76	C50	C51	N9	90.0°	90.0°
O14	C51	N9	C54	90.0°	90.0°
O14	C51	N9	H82	90.0°	90.0°
O15	C52	C53	H77	90.0°	90.0°
O15	C52	C53	H79	90.0°	90.0°
O15	C52	C53	H80	90.0°	90.0°
O15	C52	C53	H81	90.0°	90.0°
C53	C52	O15	H78	90.0°	90.0°
C52	C53	H79	H80	90.0°	90.0°
C52	C53	H79	H81	90.0°	90.0°
C52	C53	H80	H81	90.0°	90.0°
H77	C52	O15	H78	90.0°	90.0°
H77	C52	C53	H79	90.0°	90.0°
H77	C52	C53	H80	90.0°	90.0°
H77	C52	C53	H81	90.0°	90.0°
H79	C53	H80	H81	90.0°	90.0°
C54	N9	H82	C51	90.0°	90.0°
N9	C54	C55	C56	90.0°	90.0°
N9	C54	C55	H83	90.0°	90.0°
N9	C54	C56	H83	90.0°	90.0°
N9	C54	C55	O16	90.0°	90.0°
N9	C54	C55	O18	90.0°	90.0°
N9	C54	C56	C57	90.0°	90.0°
N9	C54	C56	H84	90.0°	90.0°
N9	C54	C56	H85	90.0°	90.0°
H82	N9	C54	C55	90.0°	90.0°
H82	N9	C54	C56	90.0°	90.0°
H82	N9	C54	H83	90.0°	90.0°
C55	C54	C56	H83	90.0°	90.0°
C54	C55	O16	O18	90.0°	90.0°
C55	C54	C56	C57	90.0°	90.0°
C55	C54	C56	H84	90.0°	90.0°
C55	C54	C56	H85	90.0°	90.0°
C54	C55	O18	H91	90.0°	90.0°
C55	C54	N9	C51	90.0°	90.0°
C56	C54	C55	O16	90.0°	90.0°
C56	C54	C55	O18	90.0°	90.0°
C54	C56	C57	H84	90.0°	90.0°
C54	C56	C57	H85	90.0°	90.0°
C54	C56	H84	H85	90.0°	90.0°
C54	C56	C57	C58	90.0°	90.0°
C54	C56	C57	C59	90.0°	90.0°
C56	C54	N9	C51	90.0°	90.0°
H83	C54	C55	O16	90.0°	90.0°
H83	C54	C55	O18	90.0°	90.0°
H83	C54	C56	C57	90.0°	90.0°
H83	C54	C56	H84	90.0°	90.0°
H83	C54	C56	H85	90.0°	90.0°
H83	C54	N9	C51	90.0°	90.0°
O16	C55	O18	H91	90.0°	90.0°
C57	C56	H84	H85	90.0°	90.0°
C56	C57	C58	C59	90.0°	90.0°
C56	C57	C58	C60	90.0°	90.0°
C56	C57	C58	H86	90.0°	90.0°
C56	C57	C59	C61	90.0°	90.0°
C56	C57	C59	H87	90.0°	90.0°
H84	C56	C57	C58	90.0°	90.0°
H84	C56	C57	C59	90.0°	90.0°
H85	C56	C57	C58	90.0°	90.0°
H85	C56	C57	C59	90.0°	90.0°
C57	C58	C60	H86	90.0°	90.0°
C58	C57	C59	C61	90.0°	90.0°
C58	C57	C59	H87	90.0°	90.0°
C57	C58	C60	C62	90.0°	90.0°
C57	C58	C60	H88	90.0°	90.0°
C59	C57	C58	C60	90.0°	90.0°
C59	C57	C58	H86	90.0°	90.0°
C57	C59	C61	H87	90.0°	90.0°
C57	C59	C61	C62	90.0°	90.0°
C57	C59	C61	H89	90.0°	90.0°
C58	C60	C62	H88	90.0°	90.0°
C58	C60	C62	C61	90.0°	90.0°
C58	C60	C62	O17	90.0°	90.0°
H86	C58	C60	C62	90.0°	90.0°
H86	C58	C60	H88	90.0°	90.0°
C59	C61	C62	C60	90.0°	90.0°
C59	C61	C62	H89	90.0°	90.0°
C59	C61	C62	O17	90.0°	90.0°
H87	C59	C61	C62	90.0°	90.0°
H87	C59	C61	H89	90.0°	90.0°
C60	C62	C61	O17	90.0°	90.0°
C60	C62	C61	H89	90.0°	90.0°
C60	C62	O17	H90	90.0°	90.0°
H88	C60	C62	C61	90.0°	90.0°
H88	C60	C62	O17	90.0°	90.0°
C61	C62	O17	H90	90.0°	90.0°
H89	C61	C62	O17	90.0°	90.0°

Release date:	2019-12-18
Last modified:	2019-12-18
Processing site:	RCSB