PRD_002533

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	0.00Å	1.49Å
N1	H1	sing	0.00Å	1.00Å
N1	H2	sing	0.00Å	1.00Å
C1	C2	sing	0.00Å	1.52Å
C1	C3	sing	0.00Å	1.55Å
C1	H3	sing	0.00Å	1.10Å
C2	O1	doub	0.00Å	1.23Å
C3	C4	sing	0.00Å	1.53Å
C3	C5	sing	0.00Å	1.53Å
C3	H4	sing	0.00Å	1.10Å
C4	C6	sing	0.00Å	1.51Å
C4	H5	sing	0.00Å	1.10Å
C4	H6	sing	0.00Å	1.10Å
C5	H7	sing	0.00Å	1.10Å
C5	H8	sing	0.00Å	1.10Å
C5	H9	sing	0.00Å	1.10Å
C6	H10	sing	0.00Å	1.10Å
C6	H11	sing	0.00Å	1.10Å
C6	H12	sing	0.00Å	1.10Å
N2	C7	sing	0.00Å	1.44Å
N2	H13	sing	0.00Å	1.00Å
C7	C8	sing	0.00Å	1.54Å
C7	C9	sing	0.00Å	1.52Å
C7	H14	sing	0.00Å	1.10Å
C8	O2	doub	0.00Å	1.22Å
C9	O3	sing	0.00Å	1.40Å
C9	H15	sing	0.00Å	1.10Å
C9	H16	sing	0.00Å	1.10Å
O3	H17	sing	0.00Å	0.95Å
N3	C10	sing	0.00Å	1.46Å
N3	H18	sing	0.00Å	1.00Å
C10	C11	sing	0.00Å	1.52Å
C10	C12	sing	0.00Å	1.53Å
C10	H19	sing	0.00Å	1.10Å
C11	O4	doub	0.00Å	1.23Å
C12	O5	sing	0.00Å	1.44Å
C12	C13	sing	0.00Å	1.51Å
C12	H20	sing	0.00Å	1.10Å
C13	H21	sing	0.00Å	1.10Å
C13	H22	sing	0.00Å	1.10Å
C13	H23	sing	0.00Å	1.10Å
N4	C14	sing	0.00Å	1.46Å
N4	H24	sing	0.00Å	1.00Å
C14	C15	sing	0.00Å	1.52Å
C14	C16	sing	0.00Å	1.53Å
C14	H25	sing	0.00Å	1.10Å
C15	O6	doub	0.00Å	1.24Å
C16	C17	sing	0.00Å	1.52Å
C16	H26	sing	0.00Å	1.10Å
C16	H27	sing	0.00Å	1.10Å
C17	C18	sing	0.00Å	1.52Å
C17	H28	sing	0.00Å	1.10Å
C17	H29	sing	0.00Å	1.10Å
C18	N5	sing	0.00Å	1.47Å
C18	H30	sing	0.00Å	1.10Å
C18	H31	sing	0.00Å	1.10Å
N5	C19	sing	0.00Å	1.33Å
N5	H32	sing	0.00Å	1.00Å
C19	N6	sing	0.00Å	1.33Å
C19	N7	doub	0.00Å	1.33Å
N6	H33	sing	0.00Å	1.00Å
N6	H34	sing	0.00Å	1.00Å
N7	H35	sing	0.00Å	1.00Å
N7	H36	sing	0.00Å	1.00Å
N8	C20	sing	0.00Å	1.45Å
N8	H37	sing	0.00Å	1.00Å
C20	C21	sing	0.00Å	1.52Å
C20	C22	sing	0.00Å	1.53Å
C20	H38	sing	0.00Å	1.10Å
C21	O7	doub	0.00Å	1.23Å
C22	C23	sing	0.00Å	1.50Å
C22	H39	sing	0.00Å	1.10Å
C22	H40	sing	0.00Å	1.10Å
C23	C24	sing	0.00Å	1.50Å
C23	H41	sing	0.00Å	1.10Å
C23	H42	sing	0.00Å	1.10Å
C24	C25	sing	0.00Å	1.52Å
C24	H43	sing	0.00Å	1.10Å
C24	H44	sing	0.00Å	1.10Å
C25	N9	sing	0.00Å	1.59Å
C25	H45	sing	0.00Å	1.10Å
C25	H46	sing	0.00Å	1.10Å
N9	H47	sing	0.00Å	1.00Å
N9	H48	sing	0.00Å	1.00Å
N10	C26	sing	0.00Å	1.45Å
N10	H49	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.53Å
C26	C28	sing	0.00Å	1.53Å
C26	H50	sing	0.00Å	1.10Å
C27	O8	doub	0.00Å	1.23Å
C28	C29	sing	0.00Å	1.51Å
C28	H51	sing	0.00Å	1.10Å
C28	H52	sing	0.00Å	1.10Å
C29	C30	doub	0.00Å	1.39Å	Aromatic
C29	C31	sing	0.00Å	1.39Å	Aromatic
C30	C32	sing	0.00Å	1.38Å	Aromatic
C30	H53	sing	0.00Å	1.08Å
C31	C33	doub	0.00Å	1.39Å	Aromatic
C31	H54	sing	0.00Å	1.08Å
C32	C34	doub	0.00Å	1.38Å	Aromatic
C32	H55	sing	0.00Å	1.08Å
C33	C34	sing	0.00Å	1.39Å	Aromatic
C33	H56	sing	0.00Å	1.08Å
C34	O9	sing	0.00Å	1.35Å
O9	H57	sing	0.00Å	0.95Å
N11	C35	sing	0.00Å	1.47Å
N11	C39	sing	0.00Å	1.48Å
C35	C36	sing	0.00Å	1.52Å
C35	C37	sing	0.00Å	1.54Å
C35	H58	sing	0.00Å	1.10Å
C36	O10	doub	0.00Å	1.22Å
C37	C38	sing	0.00Å	1.52Å
C37	H59	sing	0.00Å	1.10Å
C37	H60	sing	0.00Å	1.10Å
C38	C39	sing	0.00Å	1.51Å
C38	H61	sing	0.00Å	1.10Å
C38	H62	sing	0.00Å	1.10Å
C39	H63	sing	0.00Å	1.10Å
C39	H64	sing	0.00Å	1.10Å
N12	C40	sing	0.00Å	1.45Å
N12	H65	sing	0.00Å	1.00Å
C40	C41	sing	0.00Å	1.52Å
C40	C42	sing	0.00Å	1.50Å
C40	H66	sing	0.00Å	1.10Å
C41	O11	doub	0.00Å	1.23Å
C42	O12	sing	0.00Å	1.42Å
C42	H67	sing	0.00Å	1.10Å
C42	H68	sing	0.00Å	1.10Å
N13	C43	sing	0.00Å	1.46Å
N13	H69	sing	0.00Å	1.00Å
C43	C44	sing	0.00Å	1.54Å
C43	C45	sing	0.00Å	1.53Å
C43	H70	sing	0.00Å	1.10Å
C44	O13	doub	0.00Å	1.22Å
C45	C46	sing	0.00Å	1.52Å
C45	H71	sing	0.00Å	1.10Å
C45	H72	sing	0.00Å	1.10Å
C46	O14	doub	0.00Å	1.25Å
N14	C47	sing	0.00Å	1.46Å
N14	H73	sing	0.00Å	1.00Å
C47	C48	sing	0.00Å	1.53Å
C47	C49	sing	0.00Å	1.54Å
C47	H74	sing	0.00Å	1.10Å
C48	O15	doub	0.00Å	1.22Å
C49	C50	sing	0.00Å	1.51Å
C49	H75	sing	0.00Å	1.10Å
C49	H76	sing	0.00Å	1.10Å
C50	C51	doub	0.00Å	1.37Å	Aromatic
C50	C52	sing	0.00Å	1.44Å	Aromatic
C51	N15	sing	0.00Å	1.37Å	Aromatic
C51	H77	sing	0.00Å	1.08Å
C52	C53	doub	0.00Å	1.42Å	Aromatic
C52	C54	sing	0.00Å	1.40Å	Aromatic
N15	C53	sing	0.00Å	1.37Å	Aromatic
N15	H78	sing	0.00Å	1.00Å
C53	C55	sing	0.00Å	1.39Å	Aromatic
C54	C56	doub	0.00Å	1.38Å	Aromatic
C54	H79	sing	0.00Å	1.08Å
C55	C57	doub	0.00Å	1.38Å	Aromatic
C55	H80	sing	0.00Å	1.08Å
C56	C57	sing	0.00Å	1.40Å	Aromatic
C56	H81	sing	0.00Å	1.08Å
C57	H82	sing	0.00Å	1.08Å
N16	C58	sing	0.00Å	1.46Å
N16	H83	sing	0.00Å	1.00Å
C58	C59	sing	0.00Å	1.52Å
C58	C60	sing	0.00Å	1.52Å
C58	H84	sing	0.00Å	1.10Å
C59	O16	doub	0.00Å	1.23Å
C60	C61	sing	0.00Å	1.50Å
C60	H85	sing	0.00Å	1.10Å
C60	H86	sing	0.00Å	1.10Å
C61	C62	sing	0.00Å	1.51Å
C61	H87	sing	0.00Å	1.10Å
C61	H88	sing	0.00Å	1.10Å
C62	O17	sing	0.00Å	1.22Å
O17	H89	sing	0.00Å	0.95Å
N17	C63	sing	0.00Å	1.46Å
N17	H90	sing	0.00Å	1.00Å
C63	C64	sing	0.00Å	1.54Å
C63	C65	sing	0.00Å	1.54Å
C63	H91	sing	0.00Å	1.10Å
C64	O18	doub	0.00Å	1.23Å
C64	O20	sing	0.00Å	35.34Å
C65	C66	sing	0.00Å	1.52Å
C65	H92	sing	0.00Å	1.10Å
C65	H93	sing	0.00Å	1.10Å
C66	C67	sing	0.00Å	1.52Å
C66	H94	sing	0.00Å	1.10Å
C66	H95	sing	0.00Å	1.10Å
C67	O19	sing	0.00Å	1.26Å
O19	H96	sing	0.00Å	0.95Å
O20	H97	sing	0.00Å	0.00Å
C2	N2	sing	0.00Å	1.33Å
C8	N3	sing	0.00Å	1.34Å
C11	N4	sing	0.00Å	1.33Å
O5	C46	sing	0.00Å	1.34Å
C15	N8	sing	0.00Å	1.33Å
C21	N10	sing	0.00Å	1.34Å
N9	C67	sing	0.00Å	1.26Å
C27	N11	sing	0.00Å	1.36Å
C36	N12	sing	0.00Å	1.34Å
C41	N13	sing	0.00Å	1.33Å
O12	C62	sing	0.00Å	1.35Å
C44	N14	sing	0.00Å	1.34Å
C48	N16	sing	0.00Å	1.33Å
C59	N17	sing	0.00Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	109.5°	90.0°
C1	N1	H2	109.5°	90.0°
N1	C1	C2	107.1°	90.0°
N1	C1	C3	114.1°	90.0°
N1	C1	H3	108.5°	90.0°
H1	N1	H2	109.5°	90.0°
C2	C1	C3	111.0°	90.0°
C2	C1	H3	108.2°	90.0°
C1	C2	O1	120.9°	90.0°
C1	C2	N2	114.9°	90.0°
C3	C1	H3	107.8°	90.0°
C1	C3	C4	112.0°	90.0°
C1	C3	C5	111.4°	90.0°
C1	C3	H4	107.5°	90.0°
O1	C2	N2	124.2°	90.0°
C4	C3	C5	110.1°	90.0°
C4	C3	H4	107.8°	90.0°
C3	C4	C6	113.9°	90.0°
C3	C4	H5	108.4°	90.0°
C3	C4	H6	108.4°	90.0°
C5	C3	H4	107.8°	90.0°
C3	C5	H7	109.5°	90.0°
C3	C5	H8	109.4°	90.0°
C3	C5	H9	109.5°	90.0°
C6	C4	H5	108.3°	90.0°
C6	C4	H6	108.3°	90.0°
C4	C6	H10	109.5°	90.0°
C4	C6	H11	109.4°	90.0°
C4	C6	H12	109.4°	90.0°
H5	C4	H6	109.5°	90.0°
H7	C5	H8	109.5°	90.0°
H7	C5	H9	109.5°	90.0°
H8	C5	H9	109.5°	90.0°
H10	C6	H11	109.4°	90.0°
H10	C6	H12	109.5°	90.0°
H11	C6	H12	109.5°	90.0°
C7	N2	H13	118.8°	90.0°
N2	C7	C8	108.4°	90.0°
N2	C7	C9	107.1°	90.0°
N2	C7	H14	108.4°	90.0°
C7	N2	C2	122.5°	90.0°
H13	N2	C2	118.7°	90.0°
C8	C7	C9	118.0°	90.0°
C8	C7	H14	107.2°	90.0°
C7	C8	O2	121.8°	90.0°
C7	C8	N3	116.8°	90.0°
C9	C7	H14	107.5°	90.0°
C7	C9	O3	114.1°	90.0°
C7	C9	H15	108.3°	90.0°
C7	C9	H16	108.3°	90.0°
O2	C8	N3	120.9°	90.0°
O3	C9	H15	108.3°	90.0°
O3	C9	H16	108.3°	90.0°
C9	O3	H17	109.5°	90.0°
H15	C9	H16	109.4°	90.0°
C10	N3	H18	118.3°	90.0°
N3	C10	C11	108.6°	90.0°
N3	C10	C12	110.8°	90.0°
N3	C10	H19	108.3°	90.0°
C10	N3	C8	123.5°	90.0°
H18	N3	C8	118.3°	90.0°
C11	C10	C12	114.1°	90.0°
C11	C10	H19	107.5°	90.0°
C10	C11	O4	121.4°	90.0°
C10	C11	N4	115.2°	90.0°
C12	C10	H19	107.4°	90.0°
C10	C12	O5	109.3°	90.0°
C10	C12	C13	113.1°	90.0°
C10	C12	H20	107.9°	90.0°
O4	C11	N4	123.4°	90.0°
O5	C12	C13	109.2°	90.0°
O5	C12	H20	109.1°	90.0°
C12	O5	C46	122.9°	90.0°
C13	C12	H20	108.2°	90.0°
C12	C13	H21	109.5°	90.0°
C12	C13	H22	109.5°	90.0°
C12	C13	H23	109.5°	90.0°
H21	C13	H22	109.5°	90.0°
H21	C13	H23	109.5°	90.0°
H22	C13	H23	109.5°	90.0°
C14	N4	H24	118.7°	90.0°
N4	C14	C15	111.1°	90.0°
N4	C14	C16	108.4°	90.0°
N4	C14	H25	108.1°	90.0°
C14	N4	C11	122.6°	90.0°
H24	N4	C11	118.7°	90.0°
C15	C14	C16	114.6°	90.0°
C15	C14	H25	107.3°	90.0°
C14	C15	O6	121.8°	90.0°
C14	C15	N8	113.8°	90.0°
C16	C14	H25	107.2°	90.0°
C14	C16	C17	110.0°	90.0°
C14	C16	H26	109.3°	90.0°
C14	C16	H27	109.3°	90.0°
O6	C15	N8	124.1°	90.0°
C17	C16	H26	109.4°	90.0°
C17	C16	H27	109.3°	90.0°
C16	C17	C18	116.2°	90.0°
C16	C17	H28	107.8°	90.0°
C16	C17	H29	107.8°	90.0°
H26	C16	H27	109.5°	90.0°
C18	C17	H28	107.8°	90.0°
C18	C17	H29	107.8°	90.0°
C17	C18	N5	110.5°	90.0°
C17	C18	H30	109.2°	90.0°
C17	C18	H31	109.2°	90.0°
H28	C17	H29	109.5°	90.0°
N5	C18	H30	109.2°	90.0°
N5	C18	H31	109.2°	90.0°
C18	N5	C19	125.2°	90.0°
C18	N5	H32	117.4°	90.0°
H30	C18	H31	109.5°	90.0°
C19	N5	H32	117.4°	90.0°
N5	C19	N6	120.2°	90.0°
N5	C19	N7	119.1°	90.0°
N6	C19	N7	120.7°	90.0°
C19	N6	H33	120.0°	90.0°
C19	N6	H34	120.0°	90.0°
C19	N7	H35	120.0°	90.0°
C19	N7	H36	120.0°	90.0°
H33	N6	H34	120.0°	90.0°
H35	N7	H36	120.0°	90.0°
C20	N8	H37	118.5°	90.0°
N8	C20	C21	108.8°	90.0°
N8	C20	C22	108.2°	90.0°
N8	C20	H38	109.8°	90.0°
C20	N8	C15	122.9°	90.0°
H37	N8	C15	118.5°	90.0°
C21	C20	C22	112.5°	90.0°
C21	C20	H38	108.8°	90.0°
C20	C21	O7	120.2°	90.0°
C20	C21	N10	115.0°	90.0°
C22	C20	H38	108.7°	90.0°
C20	C22	C23	115.2°	90.0°
C20	C22	H39	108.0°	90.0°
C20	C22	H40	108.0°	90.0°
O7	C21	N10	124.9°	90.0°
C23	C22	H39	108.0°	90.0°
C23	C22	H40	108.0°	90.0°
C22	C23	C24	111.1°	90.0°
C22	C23	H41	109.0°	90.0°
C22	C23	H42	109.1°	90.0°
H39	C22	H40	109.5°	90.0°
C24	C23	H41	109.0°	90.0°
C24	C23	H42	109.0°	90.0°
C23	C24	C25	113.0°	90.0°
C23	C24	H43	108.6°	90.0°
C23	C24	H44	108.6°	90.0°
H41	C23	H42	109.5°	90.0°
C25	C24	H43	108.6°	90.0°
C25	C24	H44	108.6°	90.0°
C24	C25	N9	128.9°	90.0°
C24	C25	H45	104.4°	90.0°
C24	C25	H46	104.4°	90.0°
H43	C24	H44	109.4°	90.0°
N9	C25	H45	104.4°	90.0°
N9	C25	H46	104.4°	90.0°
C25	N9	H47	101.6°	90.0°
C25	N9	H48	101.6°	90.0°
C25	N9	C67	139.4°	90.0°
H45	C25	H46	109.5°	90.0°
H47	N9	H48	109.5°	90.0°
H47	N9	C67	101.6°	90.0°
H48	N9	C67	101.5°	90.0°
C26	N10	H49	119.1°	90.0°
N10	C26	C27	111.3°	90.0°
N10	C26	C28	111.2°	90.0°
N10	C26	H50	109.4°	90.0°
C26	N10	C21	121.8°	90.0°
H49	N10	C21	119.1°	90.0°
C27	C26	C28	108.1°	90.0°
C27	C26	H50	108.3°	90.0°
C26	C27	O8	120.1°	90.0°
C26	C27	N11	120.1°	90.0°
C28	C26	H50	108.4°	90.0°
C26	C28	C29	111.3°	90.0°
C26	C28	H51	109.0°	90.0°
C26	C28	H52	109.0°	90.0°
O8	C27	N11	119.6°	90.0°
C29	C28	H51	109.0°	90.0°
C29	C28	H52	109.0°	90.0°
C28	C29	C30	120.5°	90.0°
C28	C29	C31	120.5°	90.0°
H51	C28	H52	109.4°	90.0°
C30	C29	C31	119.0°	90.0°
C29	C30	C32	120.6°	90.0°
C29	C30	H53	119.7°	90.0°
C29	C31	C33	120.8°	90.0°
C29	C31	H54	119.6°	90.0°
C32	C30	H53	119.7°	90.0°
C30	C32	C34	119.6°	90.0°
C30	C32	H55	120.2°	90.0°
C33	C31	H54	119.6°	90.0°
C31	C33	C34	119.0°	90.0°
C31	C33	H56	120.5°	90.0°
C34	C32	H55	120.1°	90.0°
C32	C34	C33	120.9°	90.0°
C32	C34	O9	119.3°	90.0°
C34	C33	H56	120.5°	90.0°
C33	C34	O9	119.8°	90.0°
C34	O9	H57	109.5°	90.0°
C35	N11	C39	112.2°	90.0°
N11	C35	C36	113.0°	90.0°
N11	C35	C37	104.9°	90.0°
N11	C35	H58	110.2°	90.0°
C35	N11	C27	123.5°	90.0°
N11	C39	C38	104.9°	90.0°
N11	C39	H63	110.6°	90.0°
N11	C39	H64	110.6°	90.0°
C39	N11	C27	124.2°	90.0°
C36	C35	C37	110.0°	90.0°
C36	C35	H58	109.4°	90.0°
C35	C36	O10	119.6°	90.0°
C35	C36	N12	116.5°	90.0°
C37	C35	H58	109.2°	90.0°
C35	C37	C38	106.1°	90.0°
C35	C37	H59	110.3°	90.0°
C35	C37	H60	110.3°	90.0°
O10	C36	N12	123.8°	90.0°
C38	C37	H59	110.3°	90.0°
C38	C37	H60	110.3°	90.0°
C37	C38	C39	108.6°	90.0°
C37	C38	H61	109.7°	90.0°
C37	C38	H62	109.7°	90.0°
H59	C37	H60	109.5°	90.0°
C39	C38	H61	109.7°	90.0°
C39	C38	H62	109.7°	90.0°
C38	C39	H63	110.6°	90.0°
C38	C39	H64	110.6°	90.0°
H61	C38	H62	109.5°	90.0°
H63	C39	H64	109.5°	90.0°
C40	N12	H65	118.1°	90.0°
N12	C40	C41	108.9°	90.0°
N12	C40	C42	112.3°	90.0°
N12	C40	H66	109.2°	90.0°
C40	N12	C36	123.8°	90.0°
H65	N12	C36	118.1°	90.0°
C41	C40	C42	109.4°	90.0°
C41	C40	H66	108.4°	90.0°
C40	C41	O11	120.1°	90.0°
C40	C41	N13	116.4°	90.0°
C42	C40	H66	108.6°	90.0°
C40	C42	O12	110.4°	90.0°
C40	C42	H67	109.3°	90.0°
C40	C42	H68	109.2°	90.0°
O11	C41	N13	123.3°	90.0°
O12	C42	H67	109.2°	90.0°
O12	C42	H68	109.3°	90.0°
C42	O12	C62	124.1°	90.0°
H67	C42	H68	109.5°	90.0°
C43	N13	H69	120.0°	90.0°
N13	C43	C44	109.9°	90.0°
N13	C43	C45	111.0°	90.0°
N13	C43	H70	107.6°	90.0°
C43	N13	C41	119.9°	90.0°
H69	N13	C41	120.1°	90.0°
C44	C43	C45	114.6°	90.0°
C44	C43	H70	106.6°	90.0°
C43	C44	O13	120.2°	90.0°
C43	C44	N14	118.4°	90.0°
C45	C43	H70	106.8°	90.0°
C43	C45	C46	114.2°	90.0°
C43	C45	H71	108.3°	90.0°
C43	C45	H72	108.3°	90.0°
O13	C44	N14	121.4°	90.0°
C46	C45	H71	108.3°	90.0°
C46	C45	H72	108.2°	90.0°
C45	C46	O14	119.3°	90.0°
C45	C46	O5	107.3°	90.0°
H71	C45	H72	109.5°	90.0°
O14	C46	O5	103.1°	90.0°
C47	N14	H73	118.9°	90.0°
N14	C47	C48	113.5°	90.0°
N14	C47	C49	109.4°	90.0°
N14	C47	H74	108.5°	90.0°
C47	N14	C44	122.1°	90.0°
H73	N14	C44	118.9°	90.0°
C48	C47	C49	110.1°	90.0°
C48	C47	H74	107.7°	90.0°
C47	C48	O15	119.9°	90.0°
C47	C48	N16	118.3°	90.0°
C49	C47	H74	107.6°	90.0°
C47	C49	C50	115.5°	90.0°
C47	C49	H75	108.0°	90.0°
C47	C49	H76	108.0°	90.0°
O15	C48	N16	121.8°	90.0°
C50	C49	H75	108.0°	90.0°
C50	C49	H76	107.9°	90.0°
C49	C50	C51	126.6°	90.0°
C49	C50	C52	127.2°	90.0°
H75	C49	H76	109.5°	90.0°
C51	C50	C52	106.1°	90.0°
C50	C51	N15	110.1°	90.0°
C50	C51	H77	125.0°	90.0°
C50	C52	C53	107.0°	90.0°
C50	C52	C54	134.2°	90.0°
N15	C51	H77	124.9°	90.0°
C51	N15	C53	109.5°	90.0°
C51	N15	H78	125.2°	90.0°
C53	C52	C54	118.8°	90.0°
C52	C53	N15	107.2°	90.0°
C52	C53	C55	122.3°	90.0°
C52	C54	C56	118.9°	90.0°
C52	C54	H79	120.6°	90.0°
C53	N15	H78	125.2°	90.0°
N15	C53	C55	130.5°	90.0°
C53	C55	C57	117.4°	90.0°
C53	C55	H80	121.3°	90.0°
C56	C54	H79	120.6°	90.0°
C54	C56	C57	121.1°	90.0°
C54	C56	H81	119.5°	90.0°
C57	C55	H80	121.3°	90.0°
C55	C57	C56	121.6°	90.0°
C55	C57	H82	119.2°	90.0°
C57	C56	H81	119.5°	90.0°
C56	C57	H82	119.2°	90.0°
C58	N16	H83	118.8°	90.0°
N16	C58	C59	113.3°	90.0°
N16	C58	C60	111.2°	90.0°
N16	C58	H84	109.9°	90.0°
C58	N16	C48	122.4°	90.0°
H83	N16	C48	118.8°	90.0°
C59	C58	C60	104.4°	90.0°
C59	C58	H84	109.0°	90.0°
C58	C59	O16	118.5°	90.0°
C58	C59	N17	118.1°	90.0°
C60	C58	H84	108.9°	90.0°
C58	C60	C61	113.8°	90.0°
C58	C60	H85	108.4°	90.0°
C58	C60	H86	108.4°	90.0°
O16	C59	N17	123.4°	90.0°
C61	C60	H85	108.4°	90.0°
C61	C60	H86	108.4°	90.0°
C60	C61	C62	113.8°	90.0°
C60	C61	H87	108.4°	90.0°
C60	C61	H88	108.4°	90.0°
H85	C60	H86	109.5°	90.0°
C62	C61	H87	108.4°	90.0°
C62	C61	H88	108.4°	90.0°
C61	C62	O17	116.4°	90.0°
C61	C62	O12	126.1°	90.0°
H87	C61	H88	109.4°	90.0°
C62	O17	H89	109.5°	90.0°
O17	C62	O12	110.7°	90.0°
C63	N17	H90	119.3°	90.0°
N17	C63	C64	109.0°	90.0°
N17	C63	C65	110.2°	90.0°
N17	C63	H91	109.1°	90.0°
C63	N17	C59	121.3°	90.0°
H90	N17	C59	119.3°	90.0°
C64	C63	C65	112.2°	90.0°
C64	C63	H91	108.2°	90.0°
C63	C64	O18	116.7°	90.0°
C63	C64	O20	94.8°	90.0°
C65	C63	H91	108.1°	90.0°
C63	C65	C66	114.1°	90.0°
C63	C65	H92	108.3°	90.0°
C63	C65	H93	108.3°	90.0°
O18	C64	O20	129.9°	90.0°
C64	O20	H97	90.0°	90.0°
C66	C65	H92	108.3°	90.0°
C66	C65	H93	108.3°	90.0°
C65	C66	C67	116.4°	90.0°
C65	C66	H94	107.7°	90.0°
C65	C66	H95	107.7°	90.0°
H92	C65	H93	109.5°	90.0°
C67	C66	H94	107.7°	90.0°
C67	C66	H95	107.7°	90.0°
C66	C67	O19	116.8°	90.0°
C66	C67	N9	142.4°	90.0°
H94	C66	H95	109.5°	90.0°
C67	O19	H96	109.5°	90.0°
O19	C67	N9	100.7°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	H2	120.0°	90.0°
N1	C1	C2	C3	125.1°	90.0°
N1	C1	C2	H3	116.8°	90.0°
N1	C1	C3	H3	120.6°	90.0°
N1	C1	C2	O1	82.3°	90.0°
N1	C1	C3	C4	71.8°	90.0°
N1	C1	C3	C5	164.3°	90.0°
N1	C1	C3	H4	46.4°	90.0°
N1	C1	C2	N2	99.5°	90.0°
H1	N1	C1	C2	180.0°	90.0°
H1	N1	C1	C3	56.7°	90.0°
H1	N1	C1	H3	63.5°	90.0°
H2	N1	C1	C2	60.0°	90.0°
H2	N1	C1	C3	176.8°	90.0°
H2	N1	C1	H3	56.5°	90.0°
C2	C1	C3	H3	118.3°	90.0°
C1	C2	O1	N2	178.0°	90.0°
C2	C1	C3	C4	167.1°	90.0°
C2	C1	C3	C5	43.3°	90.0°
C2	C1	C3	H4	74.6°	90.0°
C1	C2	N2	C7	175.2°	90.0°
C1	C2	N2	H13	4.8°	90.0°
C3	C1	C2	O1	42.8°	90.0°
C1	C3	C4	C5	124.6°	90.0°
C1	C3	C4	H4	118.1°	90.0°
C1	C3	C5	H4	117.7°	90.0°
C1	C3	C4	C6	172.7°	90.0°
C1	C3	C4	H5	52.1°	90.0°
C1	C3	C4	H6	66.7°	90.0°
C1	C3	C5	H7	180.0°	90.0°
C1	C3	C5	H8	60.0°	90.0°
C1	C3	C5	H9	60.0°	90.0°
C3	C1	C2	N2	135.3°	90.0°
H3	C1	C2	O1	160.9°	90.0°
H3	C1	C3	C4	48.8°	90.0°
H3	C1	C3	C5	75.1°	90.0°
H3	C1	C3	H4	167.0°	90.0°
H3	C1	C2	N2	17.2°	90.0°
O1	C2	N2	C7	2.9°	90.0°
O1	C2	N2	H13	177.1°	90.0°
C4	C3	C5	H4	117.3°	90.0°
C3	C4	C6	H5	120.6°	90.0°
C3	C4	C6	H6	120.6°	90.0°
C3	C4	H5	H6	118.0°	90.0°
C4	C3	C5	H7	55.1°	90.0°
C4	C3	C5	H8	175.1°	90.0°
C4	C3	C5	H9	64.9°	90.0°
C3	C4	C6	H10	180.0°	90.0°
C3	C4	C6	H11	60.0°	90.0°
C3	C4	C6	H12	60.0°	90.0°
C5	C3	C4	C6	48.1°	90.0°
C5	C3	C4	H5	72.5°	90.0°
C5	C3	C4	H6	168.7°	90.0°
C3	C5	H7	H8	120.0°	90.0°
C3	C5	H7	H9	120.0°	90.0°
C3	C5	H8	H9	120.0°	90.0°
H4	C3	C4	C6	69.2°	90.0°
H4	C3	C4	H5	170.1°	90.0°
H4	C3	C4	H6	51.4°	90.0°
H4	C3	C5	H7	62.3°	90.0°
H4	C3	C5	H8	57.7°	90.0°
H4	C3	C5	H9	177.7°	90.0°
C6	C4	H5	H6	118.0°	90.0°
C4	C6	H10	H11	120.0°	90.0°
C4	C6	H10	H12	120.0°	90.0°
C4	C6	H11	H12	120.0°	90.0°
H5	C4	C6	H10	59.4°	90.0°
H5	C4	C6	H11	179.3°	90.0°
H5	C4	C6	H12	60.7°	90.0°
H6	C4	C6	H10	59.3°	90.0°
H6	C4	C6	H11	60.6°	90.0°
H6	C4	C6	H12	179.4°	90.0°
H7	C5	H8	H9	120.0°	90.0°
H10	C6	H11	H12	120.0°	90.0°
C7	N2	H13	C2	180.0°	90.0°
N2	C7	C8	C9	121.9°	90.0°
N2	C7	C8	H14	116.8°	90.0°
N2	C7	C9	H14	116.3°	90.0°
N2	C7	C8	O2	59.4°	90.0°
N2	C7	C9	O3	162.0°	90.0°
N2	C7	C9	H15	77.3°	90.0°
N2	C7	C9	H16	41.2°	90.0°
N2	C7	C8	N3	113.0°	90.0°
H13	N2	C7	C8	60.5°	90.0°
H13	N2	C7	C9	67.8°	90.0°
H13	N2	C7	H14	176.5°	90.0°
C8	C7	C9	H14	121.2°	90.0°
C7	C8	O2	N3	172.1°	90.0°
C8	C7	C9	O3	39.4°	90.0°
C8	C7	C9	H15	160.1°	90.0°
C8	C7	C9	H16	81.3°	90.0°
C7	C8	N3	C10	177.1°	90.0°
C7	C8	N3	H18	2.9°	90.0°
C8	C7	N2	C2	119.5°	90.0°
C9	C7	C8	O2	62.5°	90.0°
C7	C9	O3	H15	120.7°	90.0°
C7	C9	O3	H16	120.7°	90.0°
C7	C9	H15	H16	117.9°	90.0°
C7	C9	O3	H17	180.0°	90.0°
C9	C7	N2	C2	112.2°	90.0°
C9	C7	C8	N3	125.2°	90.0°
H14	C7	C8	O2	176.2°	90.0°
H14	C7	C9	O3	81.8°	90.0°
H14	C7	C9	H15	38.9°	90.0°
H14	C7	C9	H16	157.5°	90.0°
H14	C7	N2	C2	3.5°	90.0°
H14	C7	C8	N3	3.8°	90.0°
O2	C8	N3	C10	10.5°	90.0°
O2	C8	N3	H18	169.5°	90.0°
O3	C9	H15	H16	117.9°	90.0°
H15	C9	O3	H17	59.3°	90.0°
H16	C9	O3	H17	59.3°	90.0°
C10	N3	H18	C8	180.0°	90.0°
N3	C10	C11	C12	124.1°	90.0°
N3	C10	C11	H19	116.9°	90.0°
N3	C10	C12	H19	118.1°	90.0°
N3	C10	C11	O4	16.6°	90.0°
N3	C10	C12	O5	47.0°	90.0°
N3	C10	C12	C13	74.8°	90.0°
N3	C10	C12	H20	165.6°	90.0°
N3	C10	C11	N4	165.6°	90.0°
H18	N3	C10	C11	112.9°	90.0°
H18	N3	C10	C12	13.1°	90.0°
H18	N3	C10	H19	130.6°	90.0°
C11	C10	C12	H19	119.1°	90.0°
C10	C11	O4	N4	177.6°	90.0°
C11	C10	C12	O5	75.9°	90.0°
C11	C10	C12	C13	162.3°	90.0°
C11	C10	C12	H20	42.7°	90.0°
C10	C11	N4	C14	164.1°	90.0°
C10	C11	N4	H24	15.9°	90.0°
C11	C10	N3	C8	67.0°	90.0°
C12	C10	C11	O4	107.4°	90.0°
C10	C12	O5	C13	124.1°	90.0°
C10	C12	O5	H20	117.8°	90.0°
C10	C12	C13	H20	119.5°	90.0°
C10	C12	C13	H21	180.0°	90.0°
C10	C12	C13	H22	60.0°	90.0°
C10	C12	C13	H23	60.0°	90.0°
C12	C10	N3	C8	166.9°	90.0°
C12	C10	C11	N4	70.3°	90.0°
C10	C12	O5	C46	117.6°	90.0°
H19	C10	C11	O4	133.6°	90.0°
H19	C10	C12	O5	165.1°	90.0°
H19	C10	C12	C13	43.3°	90.0°
H19	C10	C12	H20	76.4°	90.0°
H19	C10	N3	C8	49.4°	90.0°
H19	C10	C11	N4	48.7°	90.0°
O4	C11	N4	C14	18.2°	90.0°
O4	C11	N4	H24	161.8°	90.0°
O5	C12	C13	H20	118.6°	90.0°
O5	C12	C13	H21	58.1°	90.0°
O5	C12	C13	H22	178.1°	90.0°
O5	C12	C13	H23	61.9°	90.0°
C12	O5	C46	C45	178.2°	90.0°
C12	O5	C46	O14	55.0°	90.0°
C12	C13	H21	H22	120.0°	90.0°
C12	C13	H21	H23	120.0°	90.0°
C12	C13	H22	H23	120.0°	90.0°
C13	C12	O5	C46	118.2°	90.0°
H20	C12	C13	H21	60.5°	90.0°
H20	C12	C13	H22	59.5°	90.0°
H20	C12	C13	H23	179.4°	90.0°
H20	C12	O5	C46	0.2°	90.0°
H21	C13	H22	H23	120.0°	90.0°
C14	N4	H24	C11	180.0°	90.0°
N4	C14	C15	C16	123.2°	90.0°
N4	C14	C15	H25	117.9°	90.0°
N4	C14	C16	H25	116.4°	90.0°
N4	C14	C15	O6	153.2°	90.0°
N4	C14	C16	C17	71.3°	90.0°
N4	C14	C16	H26	48.8°	90.0°
N4	C14	C16	H27	168.6°	90.0°
N4	C14	C15	N8	32.2°	90.0°
H24	N4	C14	C15	57.6°	90.0°
H24	N4	C14	C16	69.1°	90.0°
H24	N4	C14	H25	175.1°	90.0°
C15	C14	C16	H25	118.9°	90.0°
C14	C15	O6	N8	174.1°	90.0°
C15	C14	C16	C17	164.1°	90.0°
C15	C14	C16	H26	75.8°	90.0°
C15	C14	C16	H27	44.0°	90.0°
C14	C15	N8	C20	169.0°	90.0°
C14	C15	N8	H37	11.0°	90.0°
C15	C14	N4	C11	122.3°	90.0°
C16	C14	C15	O6	30.0°	90.0°
C14	C16	C17	H26	120.1°	90.0°
C14	C16	C17	H27	120.1°	90.0°
C14	C16	H26	H27	119.7°	90.0°
C14	C16	C17	C18	176.7°	90.0°
C14	C16	C17	H28	55.7°	90.0°
C14	C16	C17	H29	62.3°	90.0°
C16	C14	N4	C11	110.9°	90.0°
C16	C14	C15	N8	155.3°	90.0°
H25	C14	C15	O6	88.9°	90.0°
H25	C14	C16	C17	45.1°	90.0°
H25	C14	C16	H26	165.2°	90.0°
H25	C14	C16	H27	75.0°	90.0°
H25	C14	N4	C11	4.9°	90.0°
H25	C14	C15	N8	85.8°	90.0°
O6	C15	N8	C20	5.5°	90.0°
O6	C15	N8	H37	174.5°	90.0°
C17	C16	H26	H27	119.8°	90.0°
C16	C17	C18	H28	121.0°	90.0°
C16	C17	C18	H29	121.0°	90.0°
C16	C17	H28	H29	116.9°	90.0°
C16	C17	C18	N5	159.2°	90.0°
C16	C17	C18	H30	80.6°	90.0°
C16	C17	C18	H31	39.1°	90.0°
H26	C16	C17	C18	63.2°	90.0°
H26	C16	C17	H28	175.8°	90.0°
H26	C16	C17	H29	57.8°	90.0°
H27	C16	C17	C18	56.6°	90.0°
H27	C16	C17	H28	64.3°	90.0°
H27	C16	C17	H29	177.6°	90.0°
C18	C17	H28	H29	116.9°	90.0°
C17	C18	N5	H30	120.2°	90.0°
C17	C18	N5	H31	120.2°	90.0°
C17	C18	H30	H31	119.5°	90.0°
C17	C18	N5	C19	176.9°	90.0°
C17	C18	N5	H32	3.1°	90.0°
H28	C17	C18	N5	38.2°	90.0°
H28	C17	C18	H30	158.4°	90.0°
H28	C17	C18	H31	81.9°	90.0°
H29	C17	C18	N5	79.8°	90.0°
H29	C17	C18	H30	40.3°	90.0°
H29	C17	C18	H31	160.0°	90.0°
N5	C18	H30	H31	119.5°	90.0°
C18	N5	C19	H32	180.0°	90.0°
C18	N5	C19	N6	4.8°	90.0°
C18	N5	C19	N7	175.6°	90.0°
H30	C18	N5	C19	56.7°	90.0°
H30	C18	N5	H32	123.3°	90.0°
H31	C18	N5	C19	63.0°	90.0°
H31	C18	N5	H32	117.0°	90.0°
N5	C19	N6	N7	179.5°	90.0°
N5	C19	N6	H33	179.5°	90.0°
N5	C19	N6	H34	0.5°	90.0°
N5	C19	N7	H35	179.5°	90.0°
N5	C19	N7	H36	0.5°	90.0°
H32	N5	C19	N6	175.2°	90.0°
H32	N5	C19	N7	4.4°	90.0°
C19	N6	H33	H34	179.9°	90.0°
N6	C19	N7	H35	0.0°	90.0°
N6	C19	N7	H36	180.0°	90.0°
N7	C19	N6	H33	0.0°	90.0°
N7	C19	N6	H34	180.0°	90.0°
C19	N7	H35	H36	180.0°	90.0°
C20	N8	H37	C15	180.0°	90.0°
N8	C20	C21	C22	119.8°	90.0°
N8	C20	C21	H38	119.6°	90.0°
N8	C20	C22	H38	119.2°	90.0°
N8	C20	C21	O7	29.4°	90.0°
N8	C20	C22	C23	175.8°	90.0°
N8	C20	C22	H39	63.4°	90.0°
N8	C20	C22	H40	55.0°	90.0°
N8	C20	C21	N10	151.4°	90.0°
H37	N8	C20	C21	99.2°	90.0°
H37	N8	C20	C22	23.3°	90.0°
H37	N8	C20	H38	141.8°	90.0°
C21	C20	C22	H38	120.6°	90.0°
C20	C21	O7	N10	179.1°	90.0°
C21	C20	C22	C23	55.6°	90.0°
C21	C20	C22	H39	176.4°	90.0°
C21	C20	C22	H40	65.3°	90.0°
C20	C21	N10	C26	178.5°	90.0°
C20	C21	N10	H49	1.4°	90.0°
C21	C20	N8	C15	80.8°	90.0°
C22	C20	C21	O7	90.4°	90.0°
C20	C22	C23	H39	120.8°	90.0°
C20	C22	C23	H40	120.8°	90.0°
C20	C22	H39	H40	117.4°	90.0°
C20	C22	C23	C24	164.3°	90.0°
C20	C22	C23	H41	75.4°	90.0°
C20	C22	C23	H42	44.1°	90.0°
C22	C20	N8	C15	156.7°	90.0°
C22	C20	C21	N10	88.8°	90.0°
H38	C20	C21	O7	149.1°	90.0°
H38	C20	C22	C23	65.0°	90.0°
H38	C20	C22	H39	55.8°	90.0°
H38	C20	C22	H40	174.1°	90.0°
H38	C20	N8	C15	38.3°	90.0°
H38	C20	C21	N10	31.7°	90.0°
O7	C21	N10	C26	0.6°	90.0°
O7	C21	N10	H49	179.4°	90.0°
C23	C22	H39	H40	117.4°	90.0°
C22	C23	C24	H41	120.2°	90.0°
C22	C23	C24	H42	120.2°	90.0°
C22	C23	H41	H42	119.3°	90.0°
C22	C23	C24	C25	156.2°	90.0°
C22	C23	C24	H43	83.3°	90.0°
C22	C23	C24	H44	35.6°	90.0°
H39	C22	C23	C24	43.5°	90.0°
H39	C22	C23	H41	163.7°	90.0°
H39	C22	C23	H42	76.7°	90.0°
H40	C22	C23	C24	74.8°	90.0°
H40	C22	C23	H41	45.4°	90.0°
H40	C22	C23	H42	165.0°	90.0°
C24	C23	H41	H42	119.2°	90.0°
C23	C24	C25	H43	120.5°	90.0°
C23	C24	C25	H44	120.5°	90.0°
C23	C24	H43	H44	118.4°	90.0°
C23	C24	C25	N9	87.3°	90.0°
C23	C24	C25	H45	35.2°	90.0°
C23	C24	C25	H46	150.2°	90.0°
H41	C23	C24	C25	35.9°	90.0°
H41	C23	C24	H43	156.5°	90.0°
H41	C23	C24	H44	84.6°	90.0°
H42	C23	C24	C25	83.6°	90.0°
H42	C23	C24	H43	37.0°	90.0°
H42	C23	C24	H44	155.9°	90.0°
C25	C24	H43	H44	118.4°	90.0°
C24	C25	N9	H45	122.5°	90.0°
C24	C25	N9	H46	122.5°	90.0°
C24	C25	H45	H46	111.3°	90.0°
C24	C25	N9	H47	86.5°	90.0°
C24	C25	N9	H48	160.6°	90.0°
C24	C25	N9	C67	37.0°	90.0°
H43	C24	C25	N9	152.1°	90.0°
H43	C24	C25	H45	85.4°	90.0°
H43	C24	C25	H46	29.6°	90.0°
H44	C24	C25	N9	33.2°	90.0°
H44	C24	C25	H45	155.7°	90.0°
H44	C24	C25	H46	89.3°	90.0°
N9	C25	H45	H46	111.3°	90.0°
C25	N9	H47	H48	106.8°	90.0°
C25	N9	H47	C67	146.4°	90.0°
C25	N9	H48	C67	146.4°	90.0°
C25	N9	C67	C66	155.9°	90.0°
C25	N9	C67	O19	18.9°	90.0°
H45	C25	N9	H47	36.0°	90.0°
H45	C25	N9	H48	76.9°	90.0°
H45	C25	N9	C67	159.5°	90.0°
H46	C25	N9	H47	150.9°	90.0°
H46	C25	N9	H48	38.1°	90.0°
H46	C25	N9	C67	85.5°	90.0°
H47	N9	H48	C67	106.8°	90.0°
H47	N9	C67	C66	80.5°	90.0°
H47	N9	C67	O19	104.6°	90.0°
H48	N9	C67	C66	32.4°	90.0°
H48	N9	C67	O19	142.5°	90.0°
C26	N10	H49	C21	180.0°	90.0°
N10	C26	C27	C28	122.5°	90.0°
N10	C26	C27	H50	120.3°	90.0°
N10	C26	C28	H50	120.3°	90.0°
N10	C26	C27	O8	47.4°	90.0°
N10	C26	C28	C29	172.6°	90.0°
N10	C26	C28	H51	67.1°	90.0°
N10	C26	C28	H52	52.3°	90.0°
N10	C26	C27	N11	136.5°	90.0°
H49	N10	C26	C27	83.2°	90.0°
H49	N10	C26	C28	37.5°	90.0°
H49	N10	C26	H50	157.2°	90.0°
C27	C26	C28	H50	117.2°	90.0°
C26	C27	O8	N11	176.2°	90.0°
C27	C26	C28	C29	50.0°	90.0°
C27	C26	C28	H51	170.3°	90.0°
C27	C26	C28	H52	70.2°	90.0°
C26	C27	N11	C35	0.3°	90.0°
C26	C27	N11	C39	177.7°	90.0°
C27	C26	N10	C21	96.8°	90.0°
C28	C26	C27	O8	75.1°	90.0°
C26	C28	C29	H51	120.3°	90.0°
C26	C28	C29	H52	120.3°	90.0°
C26	C28	H51	H52	119.1°	90.0°
C26	C28	C29	C30	84.9°	90.0°
C26	C28	C29	C31	91.9°	90.0°
C28	C26	N10	C21	142.5°	90.0°
C28	C26	C27	N11	101.1°	90.0°
H50	C26	C27	O8	167.7°	90.0°
H50	C26	C28	C29	67.1°	90.0°
H50	C26	C28	H51	53.2°	90.0°
H50	C26	C28	H52	172.6°	90.0°
H50	C26	N10	C21	22.8°	90.0°
H50	C26	C27	N11	16.2°	90.0°
O8	C27	N11	C35	175.8°	90.0°
O8	C27	N11	C39	1.6°	90.0°
C29	C28	H51	H52	119.1°	90.0°
C28	C29	C30	C31	176.9°	90.0°
C28	C29	C30	C32	179.7°	90.0°
C28	C29	C30	H53	0.3°	90.0°
C28	C29	C31	C33	178.5°	90.0°
C28	C29	C31	H54	1.5°	90.0°
H51	C28	C29	C30	154.8°	90.0°
H51	C28	C29	C31	28.4°	90.0°
H52	C28	C29	C30	35.4°	90.0°
H52	C28	C29	C31	147.8°	90.0°
C29	C30	C32	H53	180.0°	90.0°
C30	C29	C31	C33	1.6°	90.0°
C30	C29	C31	H54	178.4°	90.0°
C29	C30	C32	C34	1.8°	90.0°
C29	C30	C32	H55	178.2°	90.0°
C31	C29	C30	C32	2.8°	90.0°
C31	C29	C30	H53	177.2°	90.0°
C29	C31	C33	H54	180.0°	90.0°
C29	C31	C33	C34	0.6°	90.0°
C29	C31	C33	H56	179.4°	90.0°
C30	C32	C34	H55	180.0°	90.0°
C30	C32	C34	C33	0.5°	90.0°
C30	C32	C34	O9	179.1°	90.0°
H53	C30	C32	C34	178.2°	90.0°
H53	C30	C32	H55	1.8°	90.0°
C31	C33	C34	C32	1.6°	90.0°
C31	C33	C34	H56	180.0°	90.0°
C31	C33	C34	O9	179.7°	90.0°
H54	C31	C33	C34	179.4°	90.0°
H54	C31	C33	H56	0.6°	90.0°
C32	C34	C33	O9	178.6°	90.0°
C32	C34	C33	H56	178.4°	90.0°
C32	C34	O9	H57	180.0°	90.0°
H55	C32	C34	C33	179.5°	90.0°
H55	C32	C34	O9	0.9°	90.0°
C33	C34	O9	H57	1.3°	90.0°
H56	C33	C34	O9	0.3°	90.0°
C35	N11	C39	C27	177.7°	90.0°
N11	C35	C36	C37	116.9°	90.0°
N11	C35	C36	H58	123.1°	90.0°
N11	C35	C37	H58	118.1°	90.0°
N11	C35	C36	O10	161.0°	90.0°
N11	C35	C37	C38	16.4°	90.0°
N11	C35	C37	H59	135.9°	90.0°
N11	C35	C37	H60	103.1°	90.0°
C35	N11	C39	C38	12.6°	90.0°
C35	N11	C39	H63	131.9°	90.0°
C35	N11	C39	H64	106.7°	90.0°
N11	C35	C36	N12	20.9°	90.0°
C39	N11	C35	C36	101.4°	90.0°
C39	N11	C35	C37	18.4°	90.0°
C39	N11	C35	H58	135.9°	90.0°
N11	C39	C38	C37	1.4°	90.0°
N11	C39	C38	H63	119.3°	90.0°
N11	C39	C38	H64	119.3°	90.0°
N11	C39	C38	H61	121.2°	90.0°
N11	C39	C38	H62	118.5°	90.0°
N11	C39	H63	H64	122.1°	90.0°
C36	C35	C37	H58	120.1°	90.0°
C35	C36	O10	N12	178.0°	90.0°
C36	C35	C37	C38	105.4°	90.0°
C36	C35	C37	H59	14.1°	90.0°
C36	C35	C37	H60	135.1°	90.0°
C35	C36	N12	C40	172.0°	90.0°
C35	C36	N12	H65	8.1°	90.0°
C36	C35	N11	C27	80.9°	90.0°
C37	C35	C36	O10	82.2°	90.0°
C35	C37	C38	H59	119.5°	90.0°
C35	C37	C38	H60	119.5°	90.0°
C35	C37	H59	H60	121.5°	90.0°
C35	C37	C38	C39	9.4°	90.0°
C35	C37	C38	H61	110.5°	90.0°
C35	C37	C38	H62	129.2°	90.0°
C37	C35	N11	C27	159.3°	90.0°
C37	C35	C36	N12	95.9°	90.0°
H58	C35	C36	O10	37.8°	90.0°
H58	C35	C37	C38	134.5°	90.0°
H58	C35	C37	H59	106.0°	90.0°
H58	C35	C37	H60	15.0°	90.0°
H58	C35	N11	C27	41.8°	90.0°
H58	C35	C36	N12	144.1°	90.0°
O10	C36	N12	C40	10.0°	90.0°
O10	C36	N12	H65	170.0°	90.0°
C38	C37	H59	H60	121.6°	90.0°
C37	C38	C39	H61	119.8°	90.0°
C37	C38	C39	H62	119.9°	90.0°
C37	C38	H61	H62	120.4°	90.0°
C37	C38	C39	H63	120.7°	90.0°
C37	C38	C39	H64	117.9°	90.0°
H59	C37	C38	C39	128.8°	90.0°
H59	C37	C38	H61	9.0°	90.0°
H59	C37	C38	H62	111.3°	90.0°
H60	C37	C38	C39	110.1°	90.0°
H60	C37	C38	H61	130.0°	90.0°
H60	C37	C38	H62	9.8°	90.0°
C39	C38	H61	H62	120.4°	90.0°
C38	C39	H63	H64	122.1°	90.0°
C38	C39	N11	C27	165.0°	90.0°
H61	C38	C39	H63	119.5°	90.0°
H61	C38	C39	H64	2.0°	90.0°
H62	C38	C39	H63	0.8°	90.0°
H62	C38	C39	H64	122.2°	90.0°
H63	C39	N11	C27	45.8°	90.0°
H64	C39	N11	C27	75.7°	90.0°
C40	N12	H65	C36	180.0°	90.0°
N12	C40	C41	C42	123.0°	90.0°
N12	C40	C41	H66	118.7°	90.0°
N12	C40	C42	H66	120.9°	90.0°
N12	C40	C41	O11	18.5°	90.0°
N12	C40	C42	O12	63.9°	90.0°
N12	C40	C42	H67	176.0°	90.0°
N12	C40	C42	H68	56.3°	90.0°
N12	C40	C41	N13	165.7°	90.0°
H65	N12	C40	C41	11.5°	90.0°
H65	N12	C40	C42	109.8°	90.0°
H65	N12	C40	H66	129.7°	90.0°
C41	C40	C42	H66	118.1°	90.0°
C40	C41	O11	N13	175.5°	90.0°
C41	C40	C42	O12	57.2°	90.0°
C41	C40	C42	H67	63.0°	90.0°
C41	C40	C42	H68	177.3°	90.0°
C40	C41	N13	C43	174.5°	90.0°
C40	C41	N13	H69	5.5°	90.0°
C41	C40	N12	C36	168.5°	90.0°
C42	C40	C41	O11	104.6°	90.0°
C40	C42	O12	H67	120.2°	90.0°
C40	C42	O12	H68	120.1°	90.0°
C40	C42	H67	H68	119.6°	90.0°
C42	C40	N12	C36	70.2°	90.0°
C42	C40	C41	N13	71.2°	90.0°
C40	C42	O12	C62	109.1°	90.0°
H66	C40	C41	O11	137.2°	90.0°
H66	C40	C42	O12	175.2°	90.0°
H66	C40	C42	H67	55.1°	90.0°
H66	C40	C42	H68	64.6°	90.0°
H66	C40	N12	C36	50.3°	90.0°
H66	C40	C41	N13	47.0°	90.0°
O11	C41	N13	C43	1.2°	90.0°
O11	C41	N13	H69	178.8°	90.0°
O12	C42	H67	H68	119.6°	90.0°
C42	O12	C62	C61	163.8°	90.0°
C42	O12	C62	O17	14.1°	90.0°
H67	C42	O12	C62	130.7°	90.0°
H68	C42	O12	C62	11.0°	90.0°
C43	N13	H69	C41	180.0°	90.0°
N13	C43	C44	C45	125.8°	90.0°
N13	C43	C44	H70	116.3°	90.0°
N13	C43	C45	H70	117.0°	90.0°
N13	C43	C44	O13	129.8°	90.0°
N13	C43	C45	C46	68.3°	90.0°
N13	C43	C45	H71	52.4°	90.0°
N13	C43	C45	H72	171.0°	90.0°
N13	C43	C44	N14	48.4°	90.0°
H69	N13	C43	C44	114.6°	90.0°
H69	N13	C43	C45	13.2°	90.0°
H69	N13	C43	H70	129.7°	90.0°
C44	C43	C45	H70	117.8°	90.0°
C43	C44	O13	N14	178.2°	90.0°
C44	C43	C45	C46	166.5°	90.0°
C44	C43	C45	H71	72.8°	90.0°
C44	C43	C45	H72	45.8°	90.0°
C43	C44	N14	C47	174.5°	90.0°
C43	C44	N14	H73	5.5°	90.0°
C44	C43	N13	C41	65.4°	90.0°
C45	C43	C44	O13	104.5°	90.0°
C43	C45	C46	H71	120.7°	90.0°
C43	C45	C46	H72	120.7°	90.0°
C43	C45	H71	H72	117.9°	90.0°
C43	C45	C46	O14	36.2°	90.0°
C43	C45	C46	O5	152.7°	90.0°
C45	C43	N13	C41	166.8°	90.0°
C45	C43	C44	N14	77.3°	90.0°
H70	C43	C44	O13	13.5°	90.0°
H70	C43	C45	C46	48.7°	90.0°
H70	C43	C45	H71	169.4°	90.0°
H70	C43	C45	H72	72.0°	90.0°
H70	C43	N13	C41	50.3°	90.0°
H70	C43	C44	N14	164.8°	90.0°
O13	C44	N14	C47	7.3°	90.0°
O13	C44	N14	H73	172.7°	90.0°
C46	C45	H71	H72	117.8°	90.0°
C45	C46	O14	O5	118.7°	90.0°
H71	C45	C46	O14	84.5°	90.0°
H71	C45	C46	O5	32.0°	90.0°
H72	C45	C46	O14	156.9°	90.0°
H72	C45	C46	O5	86.6°	90.0°
C47	N14	H73	C44	180.0°	90.0°
N14	C47	C48	C49	123.0°	90.0°
N14	C47	C48	H74	120.1°	90.0°
N14	C47	C49	H74	117.6°	90.0°
N14	C47	C48	O15	155.3°	90.0°
N14	C47	C49	C50	64.1°	90.0°
N14	C47	C49	H75	175.0°	90.0°
N14	C47	C49	H76	56.7°	90.0°
N14	C47	C48	N16	25.2°	90.0°
H73	N14	C47	C48	112.6°	90.0°
H73	N14	C47	C49	10.8°	90.0°
H73	N14	C47	H74	127.8°	90.0°
C48	C47	C49	H74	117.0°	90.0°
C47	C48	O15	N16	179.5°	90.0°
C48	C47	C49	C50	61.2°	90.0°
C48	C47	C49	H75	59.7°	90.0°
C48	C47	C49	H76	177.9°	90.0°
C47	C48	N16	C58	175.1°	90.0°
C47	C48	N16	H83	4.9°	90.0°
C48	C47	N14	C44	67.4°	90.0°
C49	C47	C48	O15	81.8°	90.0°
C47	C49	C50	H75	120.9°	90.0°
C47	C49	C50	H76	120.9°	90.0°
C47	C49	H75	H76	117.3°	90.0°
C47	C49	C50	C51	97.6°	90.0°
C47	C49	C50	C52	85.4°	90.0°
C49	C47	N14	C44	169.2°	90.0°
C49	C47	C48	N16	97.7°	90.0°
H74	C47	C48	O15	35.2°	90.0°
H74	C47	C49	C50	178.3°	90.0°
H74	C47	C49	H75	57.4°	90.0°
H74	C47	C49	H76	60.9°	90.0°
H74	C47	N14	C44	52.2°	90.0°
H74	C47	C48	N16	145.3°	90.0°
O15	C48	N16	C58	4.4°	90.0°
O15	C48	N16	H83	175.6°	90.0°
C50	C49	H75	H76	117.3°	90.0°
C49	C50	C51	C52	177.5°	90.0°
C49	C50	C51	N15	178.2°	90.0°
C49	C50	C51	H77	1.8°	90.0°
C49	C50	C52	C53	177.8°	90.0°
C49	C50	C52	C54	0.8°	90.0°
H75	C49	C50	C51	141.5°	90.0°
H75	C49	C50	C52	35.4°	90.0°
H76	C49	C50	C51	23.3°	90.0°
H76	C49	C50	C52	153.7°	90.0°
C50	C51	N15	H77	180.0°	90.0°
C51	C50	C52	C53	0.3°	90.0°
C51	C50	C52	C54	178.3°	90.0°
C50	C51	N15	C53	0.8°	90.0°
C50	C51	N15	H78	179.3°	90.0°
C52	C50	C51	N15	0.7°	90.0°
C52	C50	C51	H77	179.3°	90.0°
C50	C52	C53	C54	178.9°	90.0°
C50	C52	C53	N15	0.1°	90.0°
C50	C52	C53	C55	179.9°	90.0°
C50	C52	C54	C56	179.4°	90.0°
C50	C52	C54	H79	0.6°	90.0°
C51	N15	C53	C52	0.5°	90.0°
C51	N15	C53	H78	180.0°	90.0°
C51	N15	C53	C55	179.4°	90.0°
H77	C51	N15	C53	179.3°	90.0°
H77	C51	N15	H78	0.7°	90.0°
C52	C53	N15	C55	180.0°	90.0°
C52	C53	N15	H78	179.5°	90.0°
C53	C52	C54	C56	0.9°	90.0°
C53	C52	C54	H79	179.1°	90.0°
C52	C53	C55	C57	0.0°	90.0°
C52	C53	C55	H80	180.0°	90.0°
C54	C52	C53	N15	179.0°	90.0°
C54	C52	C53	C55	1.0°	90.0°
C52	C54	C56	H79	180.0°	90.0°
C52	C54	C56	C57	0.1°	90.0°
C52	C54	C56	H81	180.0°	90.0°
N15	C53	C55	C57	180.0°	90.0°
N15	C53	C55	H80	0.0°	90.0°
H78	N15	C53	C55	0.5°	90.0°
C53	C55	C57	H80	180.0°	90.0°
C53	C55	C57	C56	1.0°	90.0°
C53	C55	C57	H82	179.0°	90.0°
C54	C56	C57	C55	1.1°	90.0°
C54	C56	C57	H81	180.0°	90.0°
C54	C56	C57	H82	178.9°	90.0°
H79	C54	C56	C57	179.9°	90.0°
H79	C54	C56	H81	0.0°	90.0°
C55	C57	C56	H82	180.0°	90.0°
C55	C57	C56	H81	178.9°	90.0°
H80	C55	C57	C56	178.9°	90.0°
H80	C55	C57	H82	1.1°	90.0°
H81	C56	C57	H82	1.1°	90.0°
C58	N16	H83	C48	180.0°	90.0°
N16	C58	C59	C60	121.1°	90.0°
N16	C58	C59	H84	122.6°	90.0°
N16	C58	C60	H84	121.2°	90.0°
N16	C58	C59	O16	163.0°	90.0°
N16	C58	C60	C61	69.0°	90.0°
N16	C58	C60	H85	51.6°	90.0°
N16	C58	C60	H86	170.3°	90.0°
N16	C58	C59	N17	16.4°	90.0°
H83	N16	C58	C59	102.6°	90.0°
H83	N16	C58	C60	14.7°	90.0°
H83	N16	C58	H84	135.3°	90.0°
C59	C58	C60	H84	116.3°	90.0°
C58	C59	O16	N17	179.4°	90.0°
C59	C58	C60	C61	168.5°	90.0°
C59	C58	C60	H85	70.9°	90.0°
C59	C58	C60	H86	47.8°	90.0°
C58	C59	N17	C63	179.8°	90.0°
C58	C59	N17	H90	0.2°	90.0°
C59	C58	N16	C48	77.4°	90.0°
C60	C58	C59	O16	41.9°	90.0°
C58	C60	C61	H85	120.6°	90.0°
C58	C60	C61	H86	120.6°	90.0°
C58	C60	H85	H86	118.0°	90.0°
C58	C60	C61	C62	101.8°	90.0°
C58	C60	C61	H87	137.5°	90.0°
C58	C60	C61	H88	18.8°	90.0°
C60	C58	N16	C48	165.3°	90.0°
C60	C58	C59	N17	137.5°	90.0°
H84	C58	C59	O16	74.4°	90.0°
H84	C58	C60	C61	52.2°	90.0°
H84	C58	C60	H85	172.8°	90.0°
H84	C58	C60	H86	68.5°	90.0°
H84	C58	N16	C48	44.7°	90.0°
H84	C58	C59	N17	106.2°	90.0°
O16	C59	N17	C63	0.4°	90.0°
O16	C59	N17	H90	179.6°	90.0°
C61	C60	H85	H86	118.1°	90.0°
C60	C61	C62	H87	120.7°	90.0°
C60	C61	C62	H88	120.7°	90.0°
C60	C61	H87	H88	118.0°	90.0°
C60	C61	C62	O17	110.5°	90.0°
C60	C61	C62	O12	37.7°	90.0°
H85	C60	C61	C62	18.8°	90.0°
H85	C60	C61	H87	101.9°	90.0°
H85	C60	C61	H88	139.5°	90.0°
H86	C60	C61	C62	137.5°	90.0°
H86	C60	C61	H87	16.9°	90.0°
H86	C60	C61	H88	101.8°	90.0°
C62	C61	H87	H88	118.0°	90.0°
C61	C62	O17	O12	152.9°	90.0°
C61	C62	O17	H89	152.9°	90.0°
H87	C61	C62	O17	10.2°	90.0°
H87	C61	C62	O12	158.4°	90.0°
H88	C61	C62	O17	128.8°	90.0°
H88	C61	C62	O12	82.9°	90.0°
H89	O17	C62	O12	0.0°	90.0°
C63	N17	H90	C59	180.0°	90.0°
N17	C63	C64	C65	122.4°	90.0°
N17	C63	C64	H91	118.5°	90.0°
N17	C63	C65	H91	119.2°	90.0°
N17	C63	C64	O18	95.4°	90.0°
N17	C63	C64	O20	124.8°	90.0°
N17	C63	C65	C66	84.6°	90.0°
N17	C63	C65	H92	154.7°	90.0°
N17	C63	C65	H93	36.0°	90.0°
H90	N17	C63	C64	33.7°	90.0°
H90	N17	C63	C65	89.8°	90.0°
H90	N17	C63	H91	151.6°	90.0°
C64	C63	C65	H91	119.2°	90.0°
C63	C64	O18	O20	122.9°	90.0°
C64	C63	C65	C66	37.0°	90.0°
C64	C63	C65	H92	83.7°	90.0°
C64	C63	C65	H93	157.7°	90.0°
C63	C64	O20	H97	90.0°	90.0°
C64	C63	N17	C59	146.3°	90.0°
C65	C63	C64	O18	142.2°	90.0°
C65	C63	C64	O20	2.5°	90.0°
C63	C65	C66	H92	120.7°	90.0°
C63	C65	C66	H93	120.7°	90.0°
C63	C65	H92	H93	117.9°	90.0°
C63	C65	C66	C67	151.7°	90.0°
C63	C65	C66	H94	30.7°	90.0°
C63	C65	C66	H95	87.3°	90.0°
C65	C63	N17	C59	90.2°	90.0°
H91	C63	C64	O18	23.1°	90.0°
H91	C63	C64	O20	116.6°	90.0°
H91	C63	C65	C66	156.2°	90.0°
H91	C63	C65	H92	35.5°	90.0°
H91	C63	C65	H93	83.2°	90.0°
H91	C63	N17	C59	28.4°	90.0°
O18	C64	O20	H97	90.0°	90.0°
C66	C65	H92	H93	117.9°	90.0°
C65	C66	C67	H94	121.0°	90.0°
C65	C66	C67	H95	121.0°	90.0°
C65	C66	H94	H95	116.8°	90.0°
C65	C66	C67	O19	139.4°	90.0°
C65	C66	C67	N9	46.3°	90.0°
H92	C65	C66	C67	87.6°	90.0°
H92	C65	C66	H94	151.4°	90.0°
H92	C65	C66	H95	33.4°	90.0°
H93	C65	C66	C67	31.0°	90.0°
H93	C65	C66	H94	89.9°	90.0°
H93	C65	C66	H95	152.0°	90.0°
C67	C66	H94	H95	116.9°	90.0°
C66	C67	O19	N9	176.5°	90.0°
C66	C67	O19	H96	180.0°	90.0°
H94	C66	C67	O19	18.4°	90.0°
H94	C66	C67	N9	167.3°	90.0°
H95	C66	C67	O19	99.6°	90.0°
H95	C66	C67	N9	74.7°	90.0°
H96	O19	C67	N9	3.5°	90.0°

Release date:	2024-02-14
Last modified:	2024-02-14
Processing site:	RCSB