PRD_002569

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C9	sing	0.00Å	1.51Å
C8	C9	sing	0.00Å	1.58Å
C8	C7	sing	0.00Å	1.57Å
C9	C10	sing	0.00Å	1.66Å
O2	C10	doub	0.00Å	1.23Å
C7	C6	doub	0.00Å	1.42Å	Aromatic
C7	C12	sing	0.00Å	1.50Å	Aromatic
C13	C12	doub	0.00Å	1.47Å	Aromatic
C13	C14	sing	0.00Å	1.40Å	Aromatic
CL1	C5	sing	0.00Å	1.88Å
C6	N1	sing	0.00Å	1.46Å	Aromatic
C12	C11	sing	0.00Å	1.44Å	Aromatic
C5	C4	sing	0.00Å	1.55Å
C14	C15	doub	0.00Å	1.45Å	Aromatic
N1	C11	sing	0.00Å	1.45Å	Aromatic
N1	C2	sing	0.00Å	1.57Å
C11	C16	doub	0.00Å	1.46Å	Aromatic
C3	C2	sing	0.00Å	1.57Å
C4	C2	sing	0.00Å	1.64Å
C4	O1	sing	0.00Å	1.40Å
C15	C16	sing	0.00Å	1.39Å	Aromatic
C2	C1	sing	0.00Å	1.56Å
C1	H1	sing	0.00Å	1.10Å
C1	H2	sing	0.00Å	1.10Å
C1	H3	sing	0.00Å	1.10Å
C3	H4	sing	0.00Å	1.10Å
C3	H5	sing	0.00Å	1.10Å
C3	H6	sing	0.00Å	1.10Å
C4	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	1.08Å
O1	H11	sing	0.00Å	0.95Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C9	H14	sing	0.00Å	1.10Å
C13	H15	sing	0.00Å	1.08Å
C14	H16	sing	0.00Å	1.08Å
C15	H17	sing	0.00Å	1.08Å
C16	H18	sing	0.00Å	1.08Å
N2	H19	sing	0.00Å	1.00Å
N3	C17	sing	0.00Å	1.51Å
N3	C18	sing	0.00Å	1.52Å
C17	H20	sing	0.00Å	1.10Å
C17	H21	sing	0.00Å	1.10Å
C17	H22	sing	0.00Å	1.10Å
C18	C19	sing	0.00Å	1.62Å
C18	C23	sing	0.00Å	1.62Å
C18	H23	sing	0.00Å	1.10Å
C19	C20	sing	0.00Å	1.60Å
C19	H24	sing	0.00Å	1.10Å
C19	H25	sing	0.00Å	1.10Å
C20	C21	sing	0.00Å	1.56Å
C20	C22	sing	0.00Å	1.58Å
C20	H26	sing	0.00Å	1.10Å
C21	H27	sing	0.00Å	1.10Å
C21	H28	sing	0.00Å	1.10Å
C21	H29	sing	0.00Å	1.10Å
C22	H30	sing	0.00Å	1.10Å
C22	H31	sing	0.00Å	1.10Å
C22	H32	sing	0.00Å	1.10Å
C23	O3	doub	0.00Å	1.23Å
N4	C24	sing	0.00Å	1.51Å
N4	H33	sing	0.00Å	1.00Å
C24	C25	sing	0.00Å	1.65Å
C24	C26	sing	0.00Å	1.59Å
C24	H34	sing	0.00Å	1.10Å
C25	O4	doub	0.00Å	1.23Å
C26	C27	sing	0.00Å	1.60Å
C26	H35	sing	0.00Å	1.10Å
C26	H36	sing	0.00Å	1.10Å
C27	C28	doub	0.00Å	1.44Å	Aromatic
C27	C29	sing	0.00Å	1.42Å	Aromatic
C28	C30	sing	0.00Å	1.46Å	Aromatic
C28	H37	sing	0.00Å	1.08Å
C29	C31	doub	0.00Å	1.43Å	Aromatic
C29	H38	sing	0.00Å	1.08Å
C30	C32	doub	0.00Å	1.46Å	Aromatic
C30	N5	sing	0.00Å	1.53Å
C31	C32	sing	0.00Å	1.43Å	Aromatic
C31	H39	sing	0.00Å	1.08Å
C32	O5	sing	0.00Å	1.38Å
O5	H40	sing	0.00Å	0.95Å
N5	O6	sing	0.00Å	1.28Å
N5	O7	doub	0.00Å	1.38Å
N6	C33	sing	0.00Å	1.52Å
N6	H41	sing	0.00Å	1.00Å
C33	C34	sing	0.00Å	1.65Å
C33	C35	sing	0.00Å	1.54Å
C33	H42	sing	0.00Å	1.10Å
C34	O8	doub	0.00Å	1.23Å
C35	H43	sing	0.00Å	1.10Å
C35	H44	sing	0.00Å	1.10Å
C35	H45	sing	0.00Å	1.10Å
C45	C44	sing	0.00Å	1.56Å
C43	C44	sing	0.00Å	1.57Å
C43	C42	sing	0.00Å	1.59Å
C42	O9	sing	0.00Å	1.43Å
O9	C39	sing	0.00Å	1.46Å
C39	C41	sing	0.00Å	1.54Å
C38	C41	sing	0.00Å	1.55Å
C41	C40	sing	0.00Å	1.56Å
C40	C37	sing	0.00Å	1.56Å
C36	C37	sing	0.00Å	1.57Å
C37	N7	sing	0.00Å	1.52Å
N7	C46	sing	0.00Å	1.53Å
C37	H46	sing	0.00Å	1.10Å
C38	H47	sing	0.00Å	1.10Å
C38	H48	sing	0.00Å	1.10Å
C38	H49	sing	0.00Å	1.10Å
C39	H50	sing	0.00Å	1.10Å
C40	H51	sing	0.00Å	1.10Å
C40	H52	sing	0.00Å	1.10Å
C41	H53	sing	0.00Å	1.10Å
C42	H54	sing	0.00Å	1.10Å
C42	H55	sing	0.00Å	1.10Å
C43	H56	sing	0.00Å	1.10Å
C43	H57	sing	0.00Å	1.10Å
C44	H58	sing	0.00Å	1.10Å
C44	H59	sing	0.00Å	1.10Å
C45	H60	sing	0.00Å	1.10Å
C45	H61	sing	0.00Å	1.10Å
C45	H62	sing	0.00Å	1.10Å
C46	H63	sing	0.00Å	1.10Å
C46	H64	sing	0.00Å	1.10Å
C46	H65	sing	0.00Å	1.10Å
C36	O10	sing	0.00Å	1.24Å
O10	H66	sing	0.00Å	0.95Å
N8	C47	sing	0.00Å	1.48Å
C47	C48	sing	0.00Å	1.60Å
C47	C49	sing	0.00Å	1.58Å
C47	H67	sing	0.00Å	1.10Å
C48	O11	doub	0.00Å	1.24Å
C49	C50	sing	0.00Å	1.50Å
C49	H68	sing	0.00Å	1.10Å
C49	H69	sing	0.00Å	1.10Å
C50	C51	sing	0.00Å	1.58Å
C50	C52	sing	0.00Å	1.54Å
C50	H70	sing	0.00Å	1.10Å
C51	H71	sing	0.00Å	1.10Å
C51	H72	sing	0.00Å	1.10Å
C51	H73	sing	0.00Å	1.10Å
C52	H74	sing	0.00Å	1.10Å
C52	H75	sing	0.00Å	1.10Å
C52	H76	sing	0.00Å	1.10Å
N9	C53	sing	0.00Å	1.51Å
N9	H77	sing	0.00Å	1.00Å
C53	C54	sing	0.00Å	1.63Å
C53	C55	sing	0.00Å	1.62Å
C53	H78	sing	0.00Å	1.10Å
C54	O12	doub	0.00Å	1.24Å
C55	C56	sing	0.00Å	1.60Å
C55	H79	sing	0.00Å	1.10Å
C55	H80	sing	0.00Å	1.10Å
C56	C57	sing	0.00Å	1.32Å
C56	H81	sing	0.00Å	1.10Å
C56	H82	sing	0.00Å	1.10Å
C57	C58	sing	0.00Å	1.56Å
C57	H83	sing	0.00Å	1.10Å
C57	H84	sing	0.00Å	1.10Å
C58	H85	sing	0.00Å	1.10Å
C58	H86	sing	0.00Å	1.10Å
C58	H87	sing	0.00Å	1.10Å
C10	N3	sing	0.00Å	1.45Å
N2	C54	sing	0.00Å	1.30Å
C23	N4	sing	0.00Å	1.41Å
C25	N6	sing	0.00Å	1.41Å
C34	N7	sing	0.00Å	1.47Å
C36	N8	sing	0.00Å	1.53Å
C39	N8	sing	0.00Å	1.51Å
C48	N9	sing	0.00Å	1.42Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C9	C8	107.7°	90.0°
N2	C9	C10	111.9°	90.0°
N2	C9	H14	109.9°	90.0°
C9	N2	H19	120.9°	90.0°
C9	N2	C54	118.3°	90.0°
C9	C8	C7	111.2°	90.0°
C8	C9	C10	110.2°	90.0°
C9	C8	H12	109.0°	90.0°
C9	C8	H13	109.0°	90.0°
C8	C9	H14	109.0°	90.0°
C8	C7	C6	130.0°	90.0°
C8	C7	C12	122.7°	90.0°
C7	C8	H12	109.0°	90.0°
C7	C8	H13	109.0°	90.0°
C9	C10	O2	116.3°	90.0°
C10	C9	H14	108.0°	90.0°
C9	C10	N3	121.5°	90.0°
O2	C10	N3	122.3°	90.0°
C6	C7	C12	107.3°	90.0°
C7	C6	N1	109.3°	90.0°
C7	C6	H10	125.3°	90.0°
C7	C12	C13	133.4°	90.0°
C7	C12	C11	107.3°	90.0°
C12	C13	C14	119.1°	90.0°
C13	C12	C11	119.3°	90.0°
C12	C13	H15	120.4°	90.0°
C13	C14	C15	121.1°	90.0°
C14	C13	H15	120.4°	90.0°
C13	C14	H16	119.5°	90.0°
CL1	C5	C4	109.4°	90.0°
CL1	C5	H8	109.5°	90.0°
CL1	C5	H9	109.5°	90.0°
C6	N1	C11	107.4°	90.0°
C6	N1	C2	124.8°	90.0°
N1	C6	H10	125.4°	90.0°
C12	C11	N1	108.7°	90.0°
C12	C11	C16	120.3°	90.0°
C5	C4	C2	108.0°	90.0°
C5	C4	O1	112.3°	90.0°
C5	C4	H7	108.2°	90.0°
C4	C5	H8	109.5°	90.0°
C4	C5	H9	109.5°	90.0°
C14	C15	C16	121.1°	90.0°
C15	C14	H16	119.5°	90.0°
C14	C15	H17	119.5°	90.0°
C11	N1	C2	127.8°	90.0°
N1	C11	C16	131.0°	90.0°
N1	C2	C3	110.6°	90.0°
N1	C2	C4	100.5°	90.0°
N1	C2	C1	112.5°	90.0°
C11	C16	C15	119.2°	90.0°
C11	C16	H18	120.4°	90.0°
C3	C2	C4	109.2°	90.0°
C3	C2	C1	113.1°	90.0°
C2	C3	H4	109.5°	90.0°
C2	C3	H5	109.5°	90.0°
C2	C3	H6	109.5°	90.0°
C2	C4	O1	110.5°	90.0°
C4	C2	C1	110.1°	90.0°
C2	C4	H7	107.2°	90.0°
O1	C4	H7	110.4°	90.0°
C4	O1	H11	109.5°	90.0°
C16	C15	H17	119.5°	90.0°
C15	C16	H18	120.4°	90.0°
C2	C1	H1	109.5°	90.0°
C2	C1	H2	109.4°	90.0°
C2	C1	H3	109.5°	90.0°
H1	C1	H2	109.4°	90.0°
H1	C1	H3	109.4°	90.0°
H2	C1	H3	109.5°	90.0°
H4	C3	H5	109.4°	90.0°
H4	C3	H6	109.5°	90.0°
H5	C3	H6	109.5°	90.0°
H8	C5	H9	109.5°	90.0°
H12	C8	H13	109.5°	90.0°
H19	N2	C54	120.8°	90.0°
C17	N3	C18	116.2°	90.0°
N3	C17	H20	109.5°	90.0°
N3	C17	H21	109.4°	90.0°
N3	C17	H22	109.5°	90.0°
C17	N3	C10	120.3°	90.0°
N3	C18	C19	114.5°	90.0°
N3	C18	C23	101.2°	90.0°
N3	C18	H23	111.8°	90.0°
C18	N3	C10	123.5°	90.0°
H20	C17	H21	109.5°	90.0°
H20	C17	H22	109.5°	90.0°
H21	C17	H22	109.5°	90.0°
C19	C18	C23	108.0°	90.0°
C19	C18	H23	110.5°	90.0°
C18	C19	C20	110.1°	90.0°
C18	C19	H24	109.3°	90.0°
C18	C19	H25	109.4°	90.0°
C23	C18	H23	110.4°	90.0°
C18	C23	O3	120.7°	90.0°
C18	C23	N4	118.3°	90.0°
C20	C19	H24	109.3°	90.0°
C20	C19	H25	109.4°	90.0°
C19	C20	C21	105.9°	90.0°
C19	C20	C22	113.3°	90.0°
C19	C20	H26	107.7°	90.0°
H24	C19	H25	109.4°	90.0°
C21	C20	C22	113.4°	90.0°
C21	C20	H26	108.3°	90.0°
C20	C21	H27	109.5°	90.0°
C20	C21	H28	109.5°	90.0°
C20	C21	H29	109.4°	90.0°
C22	C20	H26	108.0°	90.0°
C20	C22	H30	109.5°	90.0°
C20	C22	H31	109.5°	90.0°
C20	C22	H32	109.5°	90.0°
H27	C21	H28	109.5°	90.0°
H27	C21	H29	109.4°	90.0°
H28	C21	H29	109.5°	90.0°
H30	C22	H31	109.5°	90.0°
H30	C22	H32	109.4°	90.0°
H31	C22	H32	109.4°	90.0°
O3	C23	N4	120.8°	90.0°
C24	N4	H33	122.1°	90.0°
N4	C24	C25	107.5°	90.0°
N4	C24	C26	103.4°	90.0°
N4	C24	H34	112.3°	90.0°
C24	N4	C23	115.7°	90.0°
H33	N4	C23	122.1°	90.0°
C25	C24	C26	111.8°	90.0°
C25	C24	H34	110.4°	90.0°
C24	C25	O4	121.4°	90.0°
C24	C25	N6	115.7°	90.0°
C26	C24	H34	111.1°	90.0°
C24	C26	C27	110.1°	90.0°
C24	C26	H35	109.4°	90.0°
C24	C26	H36	109.3°	90.0°
O4	C25	N6	122.8°	90.0°
C27	C26	H35	109.3°	90.0°
C27	C26	H36	109.3°	90.0°
C26	C27	C28	119.1°	90.0°
C26	C27	C29	123.4°	90.0°
H35	C26	H36	109.5°	90.0°
C28	C27	C29	117.5°	90.0°
C27	C28	C30	121.6°	90.0°
C27	C28	H37	119.2°	90.0°
C27	C29	C31	122.3°	90.0°
C27	C29	H38	118.9°	90.0°
C30	C28	H37	119.2°	90.0°
C28	C30	C32	119.0°	90.0°
C28	C30	N5	121.7°	90.0°
C31	C29	H38	118.9°	90.0°
C29	C31	C32	121.0°	90.0°
C29	C31	H39	119.5°	90.0°
C32	C30	N5	119.3°	90.0°
C30	C32	C31	118.6°	90.0°
C30	C32	O5	118.6°	90.0°
C30	N5	O6	122.8°	90.0°
C30	N5	O7	116.3°	90.0°
C32	C31	H39	119.5°	90.0°
C31	C32	O5	122.8°	90.0°
C32	O5	H40	109.5°	90.0°
O6	N5	O7	120.9°	90.0°
C33	N6	H41	120.6°	90.0°
N6	C33	C34	106.7°	90.0°
N6	C33	C35	107.6°	90.0°
N6	C33	H42	112.5°	90.0°
C33	N6	C25	118.7°	90.0°
H41	N6	C25	120.7°	90.0°
C34	C33	C35	106.7°	90.0°
C34	C33	H42	110.7°	90.0°
C33	C34	O8	119.6°	90.0°
C33	C34	N7	115.3°	90.0°
C35	C33	H42	112.2°	90.0°
C33	C35	H43	109.5°	90.0°
C33	C35	H44	109.5°	90.0°
C33	C35	H45	109.5°	90.0°
O8	C34	N7	125.1°	90.0°
H43	C35	H44	109.5°	90.0°
H43	C35	H45	109.4°	90.0°
H44	C35	H45	109.4°	90.0°
C45	C44	C43	113.5°	90.0°
C45	C44	H58	108.5°	90.0°
C45	C44	H59	108.4°	90.0°
C44	C45	H60	109.5°	90.0°
C44	C45	H61	109.4°	90.0°
C44	C45	H62	109.5°	90.0°
C44	C43	C42	110.5°	90.0°
C44	C43	H56	109.2°	90.0°
C44	C43	H57	109.2°	90.0°
C43	C44	H58	108.5°	90.0°
C43	C44	H59	108.4°	90.0°
C43	C42	O9	113.6°	90.0°
C43	C42	H54	108.4°	90.0°
C43	C42	H55	108.4°	90.0°
C42	C43	H56	109.3°	90.0°
C42	C43	H57	109.2°	90.0°
C42	O9	C39	124.7°	90.0°
O9	C42	H54	108.4°	90.0°
O9	C42	H55	108.4°	90.0°
O9	C39	C41	103.3°	90.0°
O9	C39	H50	112.2°	90.0°
O9	C39	N8	104.0°	90.0°
C39	C41	C38	109.8°	90.0°
C39	C41	C40	106.2°	90.0°
C41	C39	H50	111.1°	90.0°
C39	C41	H53	110.5°	90.0°
C41	C39	N8	114.3°	90.0°
C38	C41	C40	109.8°	90.0°
C41	C38	H47	109.5°	90.0°
C41	C38	H48	109.5°	90.0°
C41	C38	H49	109.5°	90.0°
C38	C41	H53	110.3°	90.0°
C41	C40	C37	112.5°	90.0°
C41	C40	H51	108.7°	90.0°
C41	C40	H52	108.6°	90.0°
C40	C41	H53	110.2°	90.0°
C40	C37	C36	113.6°	90.0°
C40	C37	N7	104.4°	90.0°
C40	C37	H46	108.4°	90.0°
C37	C40	H51	108.7°	90.0°
C37	C40	H52	108.7°	90.0°
C36	C37	N7	113.4°	90.0°
C36	C37	H46	108.1°	90.0°
C37	C36	O10	115.1°	90.0°
C37	C36	N8	111.1°	90.0°
C37	N7	C46	118.6°	90.0°
N7	C37	H46	108.7°	90.0°
C37	N7	C34	121.2°	90.0°
N7	C46	H63	109.5°	90.0°
N7	C46	H64	109.4°	90.0°
N7	C46	H65	109.5°	90.0°
C46	N7	C34	120.1°	90.0°
H47	C38	H48	109.4°	90.0°
H47	C38	H49	109.5°	90.0°
H48	C38	H49	109.4°	90.0°
H50	C39	N8	111.5°	90.0°
H51	C40	H52	109.4°	90.0°
H54	C42	H55	109.5°	90.0°
H56	C43	H57	109.4°	90.0°
H58	C44	H59	109.5°	90.0°
H60	C45	H61	109.5°	90.0°
H60	C45	H62	109.5°	90.0°
H61	C45	H62	109.5°	90.0°
H63	C46	H64	109.5°	90.0°
H63	C46	H65	109.5°	90.0°
H64	C46	H65	109.5°	90.0°
C36	O10	H66	109.5°	90.0°
O10	C36	N8	110.2°	90.0°
N8	C47	C48	99.4°	90.0°
N8	C47	C49	113.5°	90.0°
N8	C47	H67	108.7°	90.0°
C47	N8	C36	112.0°	90.0°
C47	N8	C39	113.9°	90.0°
C48	C47	C49	119.8°	90.0°
C48	C47	H67	107.3°	90.0°
C47	C48	O11	119.1°	90.0°
C47	C48	N9	118.4°	90.0°
C49	C47	H67	107.5°	90.0°
C47	C49	C50	119.1°	90.0°
C47	C49	H68	107.0°	90.0°
C47	C49	H69	107.0°	90.0°
O11	C48	N9	122.5°	90.0°
C50	C49	H68	107.0°	90.0°
C50	C49	H69	107.0°	90.0°
C49	C50	C51	113.3°	90.0°
C49	C50	C52	105.3°	90.0°
C49	C50	H70	108.1°	90.0°
H68	C49	H69	109.5°	90.0°
C51	C50	C52	115.1°	90.0°
C51	C50	H70	107.1°	90.0°
C50	C51	H71	109.5°	90.0°
C50	C51	H72	109.5°	90.0°
C50	C51	H73	109.4°	90.0°
C52	C50	H70	107.6°	90.0°
C50	C52	H74	109.5°	90.0°
C50	C52	H75	109.5°	90.0°
C50	C52	H76	109.5°	90.0°
H71	C51	H72	109.4°	90.0°
H71	C51	H73	109.5°	90.0°
H72	C51	H73	109.4°	90.0°
H74	C52	H75	109.4°	90.0°
H74	C52	H76	109.5°	90.0°
H75	C52	H76	109.4°	90.0°
C53	N9	H77	120.5°	90.0°
N9	C53	C54	100.3°	90.0°
N9	C53	C55	113.1°	90.0°
N9	C53	H78	110.7°	90.0°
C53	N9	C48	118.9°	90.0°
H77	N9	C48	120.6°	90.0°
C54	C53	C55	114.3°	90.0°
C54	C53	H78	109.0°	90.0°
C53	C54	O12	120.9°	90.0°
C53	C54	N2	117.4°	90.0°
C55	C53	H78	109.2°	90.0°
C53	C55	C56	110.1°	90.0°
C53	C55	H79	109.3°	90.0°
C53	C55	H80	109.3°	90.0°
O12	C54	N2	121.7°	90.0°
C56	C55	H79	109.4°	90.0°
C56	C55	H80	109.3°	90.0°
C55	C56	C57	116.5°	90.0°
C55	C56	H81	107.7°	90.0°
C55	C56	H82	107.7°	90.0°
H79	C55	H80	109.4°	90.0°
C57	C56	H81	107.7°	90.0°
C57	C56	H82	107.7°	90.0°
C56	C57	C58	115.0°	90.0°
C56	C57	H83	108.0°	90.0°
C56	C57	H84	108.1°	90.0°
H81	C56	H82	109.4°	90.0°
C58	C57	H83	108.1°	90.0°
C58	C57	H84	108.1°	90.0°
C57	C58	H85	109.5°	90.0°
C57	C58	H86	109.5°	90.0°
C57	C58	H87	109.5°	90.0°
H83	C57	H84	109.4°	90.0°
H85	C58	H86	109.4°	90.0°
H85	C58	H87	109.5°	90.0°
H86	C58	H87	109.5°	90.0°
C36	N8	C39	123.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C9	C8	C10	122.3°	90.0°
N2	C9	C8	H14	119.2°	90.0°
N2	C9	C8	C7	178.3°	90.0°
N2	C9	C10	H14	121.1°	90.0°
N2	C9	C10	O2	53.9°	90.0°
N2	C9	C8	H12	58.0°	90.0°
N2	C9	C8	H13	61.4°	90.0°
C9	N2	H19	C54	180.0°	90.0°
C9	N2	C54	C53	178.3°	90.0°
C9	N2	C54	O12	0.2°	90.0°
N2	C9	C10	N3	128.1°	90.0°
C9	C8	C7	H12	120.3°	90.0°
C9	C8	C7	H13	120.3°	90.0°
C8	C9	C10	H14	119.1°	90.0°
C8	C9	C10	O2	65.9°	90.0°
C9	C8	C7	C6	85.0°	90.0°
C9	C8	C7	C12	92.9°	90.0°
C9	C8	H12	H13	119.2°	90.0°
C8	C9	N2	H19	11.8°	90.0°
C8	C9	C10	N3	112.1°	90.0°
C8	C9	N2	C54	168.3°	90.0°
C7	C8	C9	C10	59.4°	90.0°
C8	C7	C6	C12	178.1°	90.0°
C8	C7	C12	C13	2.3°	90.0°
C8	C7	C6	N1	179.5°	90.0°
C8	C7	C12	C11	179.6°	90.0°
C8	C7	C6	H10	0.6°	90.0°
C7	C8	H12	H13	119.2°	90.0°
C7	C8	C9	H14	59.1°	90.0°
C9	C10	O2	N3	178.0°	90.0°
C10	C9	C8	H12	179.6°	90.0°
C10	C9	C8	H13	60.9°	90.0°
C10	C9	N2	H19	109.5°	90.0°
C9	C10	N3	C17	179.4°	90.0°
C9	C10	N3	C18	1.9°	90.0°
C10	C9	N2	C54	70.4°	90.0°
O2	C10	C9	H14	175.0°	90.0°
O2	C10	N3	C17	1.5°	90.0°
O2	C10	N3	C18	179.8°	90.0°
C6	C7	C12	C13	179.4°	90.0°
C7	C6	N1	H10	180.0°	90.0°
C6	C7	C12	C11	2.1°	90.0°
C7	C6	N1	C11	0.0°	90.0°
C7	C6	N1	C2	177.6°	90.0°
C6	C7	C8	H12	154.8°	90.0°
C6	C7	C8	H13	35.3°	90.0°
C7	C12	C13	C11	177.0°	90.0°
C7	C12	C13	C14	178.1°	90.0°
C12	C7	C6	N1	1.3°	90.0°
C7	C12	C11	N1	2.1°	90.0°
C7	C12	C11	C16	179.4°	90.0°
C12	C7	C6	H10	178.7°	90.0°
C12	C7	C8	H12	27.3°	90.0°
C12	C7	C8	H13	146.8°	90.0°
C7	C12	C13	H15	1.9°	90.0°
C12	C13	C14	H15	180.0°	90.0°
C12	C13	C14	C15	0.1°	90.0°
C13	C12	C11	N1	179.9°	90.0°
C13	C12	C11	C16	1.6°	90.0°
C12	C13	C14	H16	179.9°	90.0°
C14	C13	C12	C11	1.0°	90.0°
C13	C14	C15	H16	180.0°	90.0°
C13	C14	C15	C16	0.2°	90.0°
C13	C14	C15	H17	179.8°	90.0°
CL1	C5	C4	H8	120.0°	90.0°
CL1	C5	C4	H9	120.0°	90.0°
CL1	C5	C4	C2	159.0°	90.0°
CL1	C5	C4	O1	78.8°	90.0°
CL1	C5	C4	H7	43.2°	90.0°
CL1	C5	H8	H9	120.1°	90.0°
C6	N1	C11	C12	1.3°	90.0°
C6	N1	C11	C2	177.6°	90.0°
C6	N1	C11	C16	179.6°	90.0°
C6	N1	C2	C3	6.8°	90.0°
C6	N1	C2	C4	108.5°	90.0°
C6	N1	C2	C1	134.4°	90.0°
C12	C11	N1	C16	178.3°	90.0°
C12	C11	N1	C2	178.9°	90.0°
C12	C11	C16	C15	1.3°	90.0°
C11	C12	C13	H15	178.9°	90.0°
C12	C11	C16	H18	178.7°	90.0°
C5	C4	C2	N1	57.2°	90.0°
C5	C4	C2	C3	59.1°	90.0°
C5	C4	C2	O1	123.2°	90.0°
C5	C4	C2	H7	116.4°	90.0°
C5	C4	O1	H7	120.8°	90.0°
C5	C4	C2	C1	176.1°	90.0°
C4	C5	H8	H9	120.0°	90.0°
C5	C4	O1	H11	180.0°	90.0°
C14	C15	C16	C11	0.4°	90.0°
C14	C15	C16	H17	180.0°	90.0°
C15	C14	C13	H15	179.8°	90.0°
C14	C15	C16	H18	179.6°	90.0°
C11	N1	C2	C3	176.1°	90.0°
C11	N1	C2	C4	68.6°	90.0°
N1	C11	C16	C15	179.4°	90.0°
C11	N1	C2	C1	48.4°	90.0°
C11	N1	C6	H10	180.0°	90.0°
N1	C11	C16	H18	0.6°	90.0°
C2	N1	C11	C16	2.8°	90.0°
N1	C2	C3	C4	109.7°	90.0°
N1	C2	C3	C1	127.3°	90.0°
N1	C2	C4	C1	118.8°	90.0°
N1	C2	C4	O1	179.5°	90.0°
N1	C2	C1	H1	180.0°	90.0°
N1	C2	C1	H2	60.0°	90.0°
N1	C2	C1	H3	60.0°	90.0°
N1	C2	C3	H4	179.9°	90.0°
N1	C2	C3	H5	60.0°	90.0°
N1	C2	C3	H6	60.0°	90.0°
N1	C2	C4	H7	59.2°	90.0°
C2	N1	C6	H10	2.3°	90.0°
C11	C16	C15	H18	180.0°	90.0°
C11	C16	C15	H17	179.6°	90.0°
C3	C2	C4	C1	124.8°	90.0°
C3	C2	C4	O1	64.1°	90.0°
C3	C2	C1	H1	53.7°	90.0°
C3	C2	C1	H2	66.3°	90.0°
C3	C2	C1	H3	173.7°	90.0°
C2	C3	H4	H5	120.0°	90.0°
C2	C3	H4	H6	120.1°	90.0°
C2	C3	H5	H6	120.0°	90.0°
C3	C2	C4	H7	175.6°	90.0°
C2	C4	O1	H7	118.5°	90.0°
C4	C2	C1	H1	68.8°	90.0°
C4	C2	C1	H2	171.2°	90.0°
C4	C2	C1	H3	51.2°	90.0°
C4	C2	C3	H4	70.2°	90.0°
C4	C2	C3	H5	49.7°	90.0°
C4	C2	C3	H6	169.7°	90.0°
C2	C4	C5	H8	81.0°	90.0°
C2	C4	C5	H9	39.0°	90.0°
C2	C4	O1	H11	59.3°	90.0°
O1	C4	C2	C1	60.7°	90.0°
O1	C4	C5	H8	41.1°	90.0°
O1	C4	C5	H9	161.2°	90.0°
C16	C15	C14	H16	179.8°	90.0°
C2	C1	H1	H2	120.0°	90.0°
C2	C1	H1	H3	120.0°	90.0°
C2	C1	H2	H3	120.0°	90.0°
C1	C2	C3	H4	52.8°	90.0°
C1	C2	C3	H5	172.7°	90.0°
C1	C2	C3	H6	67.3°	90.0°
C1	C2	C4	H7	59.6°	90.0°
H1	C1	H2	H3	120.0°	90.0°
H4	C3	H5	H6	120.0°	90.0°
H7	C4	C5	H8	163.2°	90.0°
H7	C4	C5	H9	76.8°	90.0°
H7	C4	O1	H11	59.1°	90.0°
H12	C8	C9	H14	61.2°	90.0°
H13	C8	C9	H14	179.3°	90.0°
H14	C9	N2	H19	130.4°	90.0°
H14	C9	C10	N3	7.0°	90.0°
H14	C9	N2	C54	49.6°	90.0°
H15	C13	C14	H16	0.1°	90.0°
H16	C14	C15	H17	0.2°	90.0°
H17	C15	C16	H18	0.4°	90.0°
H19	N2	C54	C53	1.8°	90.0°
H19	N2	C54	O12	179.8°	90.0°
C17	N3	C18	C10	178.8°	90.0°
N3	C17	H20	H21	120.0°	90.0°
N3	C17	H20	H22	120.0°	90.0°
N3	C17	H21	H22	120.0°	90.0°
C17	N3	C18	C19	59.0°	90.0°
C17	N3	C18	C23	56.9°	90.0°
C17	N3	C18	H23	174.4°	90.0°
C18	N3	C17	H20	180.0°	90.0°
C18	N3	C17	H21	60.1°	90.0°
C18	N3	C17	H22	59.9°	90.0°
N3	C18	C19	C23	111.9°	90.0°
N3	C18	C19	H23	127.3°	90.0°
N3	C18	C23	H23	118.6°	90.0°
N3	C18	C19	C20	170.3°	90.0°
N3	C18	C19	H24	50.2°	90.0°
N3	C18	C19	H25	69.6°	90.0°
N3	C18	C23	O3	114.9°	90.0°
N3	C18	C23	N4	60.0°	90.0°
H20	C17	H21	H22	120.0°	90.0°
H20	C17	N3	C10	1.2°	90.0°
H21	C17	N3	C10	118.7°	90.0°
H22	C17	N3	C10	121.3°	90.0°
C19	C18	C23	H23	120.8°	90.0°
C18	C19	C20	H24	120.1°	90.0°
C18	C19	C20	H25	120.2°	90.0°
C18	C19	H24	H25	119.7°	90.0°
C18	C19	C20	C21	164.4°	90.0°
C18	C19	C20	C22	39.5°	90.0°
C18	C19	C20	H26	79.9°	90.0°
C19	C18	C23	O3	5.6°	90.0°
C19	C18	N3	C10	122.3°	90.0°
C19	C18	C23	N4	179.4°	90.0°
C23	C18	C19	C20	77.8°	90.0°
C23	C18	C19	H24	162.1°	90.0°
C23	C18	C19	H25	42.3°	90.0°
C18	C23	O3	N4	174.9°	90.0°
C18	C23	N4	C24	175.5°	90.0°
C18	C23	N4	H33	4.5°	90.0°
C23	C18	N3	C10	121.8°	90.0°
H23	C18	C19	C20	42.9°	90.0°
H23	C18	C19	H24	77.1°	90.0°
H23	C18	C19	H25	163.1°	90.0°
H23	C18	C23	O3	126.5°	90.0°
H23	C18	N3	C10	4.3°	90.0°
H23	C18	C23	N4	58.5°	90.0°
C20	C19	H24	H25	119.7°	90.0°
C19	C20	C21	C22	124.9°	90.0°
C19	C20	C21	H26	115.3°	90.0°
C19	C20	C22	H26	119.2°	90.0°
C19	C20	C21	H27	179.9°	90.0°
C19	C20	C21	H28	60.0°	90.0°
C19	C20	C21	H29	60.0°	90.0°
C19	C20	C22	H30	180.0°	90.0°
C19	C20	C22	H31	59.9°	90.0°
C19	C20	C22	H32	60.0°	90.0°
H24	C19	C20	C21	44.3°	90.0°
H24	C19	C20	C22	80.6°	90.0°
H24	C19	C20	H26	160.0°	90.0°
H25	C19	C20	C21	75.4°	90.0°
H25	C19	C20	C22	159.7°	90.0°
H25	C19	C20	H26	40.3°	90.0°
C21	C20	C22	H26	120.0°	90.0°
C20	C21	H27	H28	120.0°	90.0°
C20	C21	H27	H29	119.9°	90.0°
C20	C21	H28	H29	120.0°	90.0°
C21	C20	C22	H30	59.2°	90.0°
C21	C20	C22	H31	179.3°	90.0°
C21	C20	C22	H32	60.8°	90.0°
C22	C20	C21	H27	55.2°	90.0°
C22	C20	C21	H28	64.9°	90.0°
C22	C20	C21	H29	175.2°	90.0°
C20	C22	H30	H31	120.1°	90.0°
C20	C22	H30	H32	120.0°	90.0°
C20	C22	H31	H32	120.0°	90.0°
H26	C20	C21	H27	64.6°	90.0°
H26	C20	C21	H28	175.3°	90.0°
H26	C20	C21	H29	55.3°	90.0°
H26	C20	C22	H30	60.8°	90.0°
H26	C20	C22	H31	59.3°	90.0°
H26	C20	C22	H32	179.2°	90.0°
H27	C21	H28	H29	120.0°	90.0°
H30	C22	H31	H32	119.9°	90.0°
O3	C23	N4	C24	0.5°	90.0°
O3	C23	N4	H33	179.5°	90.0°
C24	N4	H33	C23	180.0°	90.0°
N4	C24	C25	C26	112.9°	90.0°
N4	C24	C25	H34	122.9°	90.0°
N4	C24	C26	H34	120.7°	90.0°
N4	C24	C25	O4	128.8°	90.0°
N4	C24	C26	C27	154.0°	90.0°
N4	C24	C26	H35	85.9°	90.0°
N4	C24	C26	H36	33.9°	90.0°
N4	C24	C25	N6	49.4°	90.0°
H33	N4	C24	C25	68.6°	90.0°
H33	N4	C24	C26	49.8°	90.0°
H33	N4	C24	H34	169.7°	90.0°
C25	C24	C26	H34	123.9°	90.0°
C24	C25	O4	N6	178.1°	90.0°
C25	C24	C26	C27	38.6°	90.0°
C25	C24	C26	H35	158.7°	90.0°
C25	C24	C26	H36	81.5°	90.0°
C24	C25	N6	C33	177.2°	90.0°
C24	C25	N6	H41	2.8°	90.0°
C25	C24	N4	C23	111.4°	90.0°
C26	C24	C25	O4	118.3°	90.0°
C24	C26	C27	H35	120.1°	90.0°
C24	C26	C27	H36	120.1°	90.0°
C24	C26	H35	H36	119.7°	90.0°
C24	C26	C27	C28	66.6°	90.0°
C24	C26	C27	C29	112.1°	90.0°
C26	C24	N4	C23	130.2°	90.0°
C26	C24	C25	N6	63.5°	90.0°
H34	C24	C25	O4	6.0°	90.0°
H34	C24	C26	C27	85.3°	90.0°
H34	C24	C26	H35	34.8°	90.0°
H34	C24	C26	H36	154.7°	90.0°
H34	C24	N4	C23	10.3°	90.0°
H34	C24	C25	N6	172.2°	90.0°
O4	C25	N6	C33	4.6°	90.0°
O4	C25	N6	H41	175.4°	90.0°
C27	C26	H35	H36	119.7°	90.0°
C26	C27	C28	C29	178.8°	90.0°
C26	C27	C28	C30	179.2°	90.0°
C26	C27	C28	H37	0.8°	90.0°
C26	C27	C29	C31	179.4°	90.0°
C26	C27	C29	H38	0.6°	90.0°
H35	C26	C27	C28	53.5°	90.0°
H35	C26	C27	C29	127.8°	90.0°
H36	C26	C27	C28	173.3°	90.0°
H36	C26	C27	C29	8.0°	90.0°
C27	C28	C30	H37	179.9°	90.0°
C28	C27	C29	C31	0.7°	90.0°
C28	C27	C29	H38	179.3°	90.0°
C27	C28	C30	C32	0.0°	90.0°
C27	C28	C30	N5	179.9°	90.0°
C29	C27	C28	C30	0.4°	90.0°
C29	C27	C28	H37	179.5°	90.0°
C27	C29	C31	H38	180.0°	90.0°
C27	C29	C31	C32	0.7°	90.0°
C27	C29	C31	H39	179.4°	90.0°
C28	C30	C32	N5	179.9°	90.0°
C28	C30	C32	C31	0.1°	90.0°
C28	C30	C32	O5	179.7°	90.0°
C28	C30	N5	O6	179.6°	90.0°
C28	C30	N5	O7	1.6°	90.0°
H37	C28	C30	C32	179.9°	90.0°
H37	C28	C30	N5	0.0°	90.0°
C29	C31	C32	C30	0.2°	90.0°
C29	C31	C32	H39	179.9°	90.0°
C29	C31	C32	O5	180.0°	90.0°
H38	C29	C31	C32	179.3°	90.0°
H38	C29	C31	H39	0.6°	90.0°
C30	C32	C31	O5	179.7°	90.0°
C30	C32	C31	H39	179.8°	90.0°
C30	C32	O5	H40	0.3°	90.0°
C32	C30	N5	O6	0.5°	90.0°
C32	C30	N5	O7	178.3°	90.0°
N5	C30	C32	C31	179.8°	90.0°
N5	C30	C32	O5	0.5°	90.0°
C30	N5	O6	O7	178.7°	90.0°
C31	C32	O5	H40	180.0°	90.0°
H39	C31	C32	O5	0.1°	90.0°
C33	N6	H41	C25	179.9°	90.0°
N6	C33	C34	C35	114.9°	90.0°
N6	C33	C34	H42	122.8°	90.0°
N6	C33	C35	H42	124.3°	90.0°
N6	C33	C34	O8	22.1°	90.0°
N6	C33	C35	H43	180.0°	90.0°
N6	C33	C35	H44	60.0°	90.0°
N6	C33	C35	H45	60.0°	90.0°
N6	C33	C34	N7	156.5°	90.0°
H41	N6	C33	C34	16.4°	90.0°
H41	N6	C33	C35	97.9°	90.0°
H41	N6	C33	H42	138.0°	90.0°
C34	C33	C35	H42	121.4°	90.0°
C33	C34	O8	N7	178.5°	90.0°
C34	C33	C35	H43	65.7°	90.0°
C34	C33	C35	H44	174.2°	90.0°
C34	C33	C35	H45	54.3°	90.0°
C33	C34	N7	C37	177.1°	90.0°
C33	C34	N7	C46	2.1°	90.0°
C34	C33	N6	C25	163.6°	90.0°
C35	C33	C34	O8	92.8°	90.0°
C33	C35	H43	H44	120.0°	90.0°
C33	C35	H43	H45	120.0°	90.0°
C33	C35	H44	H45	120.0°	90.0°
C35	C33	N6	C25	82.2°	90.0°
C35	C33	C34	N7	88.6°	90.0°
H42	C33	C34	O8	144.9°	90.0°
H42	C33	C35	H43	55.7°	90.0°
H42	C33	C35	H44	64.3°	90.0°
H42	C33	C35	H45	175.7°	90.0°
H42	C33	N6	C25	41.9°	90.0°
H42	C33	C34	N7	33.7°	90.0°
O8	C34	N7	C37	4.3°	90.0°
O8	C34	N7	C46	179.4°	90.0°
H43	C35	H44	H45	120.0°	90.0°
C45	C44	C43	H58	120.6°	90.0°
C45	C44	C43	H59	120.6°	90.0°
C45	C44	C43	C42	50.4°	90.0°
C45	C44	C43	H56	170.6°	90.0°
C45	C44	C43	H57	69.7°	90.0°
C45	C44	H58	H59	118.2°	90.0°
C44	C45	H60	H61	120.0°	90.0°
C44	C45	H60	H62	120.0°	90.0°
C44	C45	H61	H62	120.0°	90.0°
C44	C43	C42	H56	120.2°	90.0°
C44	C43	C42	H57	120.2°	90.0°
C44	C43	C42	O9	56.2°	90.0°
C44	C43	C42	H54	176.9°	90.0°
C44	C43	C42	H55	64.4°	90.0°
C44	C43	H56	H57	119.5°	90.0°
C43	C44	H58	H59	118.2°	90.0°
C43	C44	C45	H60	180.0°	90.0°
C43	C44	C45	H61	60.0°	90.0°
C43	C44	C45	H62	60.0°	90.0°
C43	C42	O9	H54	120.6°	90.0°
C43	C42	O9	H55	120.6°	90.0°
C43	C42	O9	C39	148.6°	90.0°
C43	C42	H54	H55	118.1°	90.0°
C42	C43	H56	H57	119.5°	90.0°
C42	C43	C44	H58	70.2°	90.0°
C42	C43	C44	H59	171.0°	90.0°
C42	O9	C39	C41	67.3°	90.0°
C42	O9	C39	H50	52.4°	90.0°
O9	C42	H54	H55	118.1°	90.0°
O9	C42	C43	H56	63.9°	90.0°
O9	C42	C43	H57	176.4°	90.0°
C42	O9	C39	N8	173.0°	90.0°
O9	C39	C41	H50	120.5°	90.0°
O9	C39	C41	N8	112.3°	90.0°
O9	C39	C41	C38	165.8°	90.0°
O9	C39	C41	C40	75.6°	90.0°
O9	C39	H50	N8	116.2°	90.0°
O9	C39	C41	H53	43.8°	90.0°
C39	O9	C42	H54	90.8°	90.0°
C39	O9	C42	H55	28.0°	90.0°
O9	C39	N8	C47	92.5°	90.0°
O9	C39	N8	C36	125.4°	90.0°
C39	C41	C38	C40	116.4°	90.0°
C39	C41	C38	H53	122.0°	90.0°
C39	C41	C40	H53	119.6°	90.0°
C39	C41	C40	C37	68.3°	90.0°
C39	C41	C38	H47	180.0°	90.0°
C39	C41	C38	H48	60.0°	90.0°
C39	C41	C38	H49	60.0°	90.0°
C41	C39	H50	N8	128.8°	90.0°
C39	C41	C40	H51	52.2°	90.0°
C39	C41	C40	H52	171.3°	90.0°
C41	C39	N8	C47	155.6°	90.0°
C41	C39	N8	C36	13.5°	90.0°
C38	C41	C40	H53	121.7°	90.0°
C38	C41	C40	C37	50.3°	90.0°
C41	C38	H47	H48	120.0°	90.0°
C41	C38	H47	H49	120.1°	90.0°
C41	C38	H48	H49	120.0°	90.0°
C38	C41	C39	H50	45.2°	90.0°
C38	C41	C40	H51	170.9°	90.0°
C38	C41	C40	H52	70.1°	90.0°
C38	C41	C39	N8	82.0°	90.0°
C41	C40	C37	H51	120.5°	90.0°
C41	C40	C37	H52	120.4°	90.0°
C41	C40	C37	C36	47.6°	90.0°
C41	C40	C37	N7	171.6°	90.0°
C41	C40	C37	H46	72.6°	90.0°
C40	C41	C38	H47	63.6°	90.0°
C40	C41	C38	H48	176.4°	90.0°
C40	C41	C38	H49	56.4°	90.0°
C40	C41	C39	H50	163.9°	90.0°
C41	C40	H51	H52	118.5°	90.0°
C40	C41	C39	N8	36.7°	90.0°
C40	C37	C36	N7	119.0°	90.0°
C40	C37	C36	H46	120.4°	90.0°
C40	C37	N7	H46	115.6°	90.0°
C40	C37	N7	C46	106.0°	90.0°
C37	C40	H51	H52	118.6°	90.0°
C37	C40	C41	H53	172.1°	90.0°
C40	C37	C36	O10	129.1°	90.0°
C40	C37	N7	C34	69.1°	90.0°
C40	C37	C36	N8	3.0°	90.0°
C36	C37	N7	H46	120.3°	90.0°
C36	C37	N7	C46	129.9°	90.0°
C36	C37	C40	H51	72.9°	90.0°
C36	C37	C40	H52	168.0°	90.0°
C37	C36	O10	N8	126.6°	90.0°
C37	C36	O10	H66	53.8°	90.0°
C37	C36	N8	C47	177.5°	90.0°
C36	C37	N7	C34	55.0°	90.0°
C37	C36	N8	C39	34.8°	90.0°
C37	N7	C46	C34	175.2°	90.0°
N7	C37	C40	H51	51.1°	90.0°
N7	C37	C40	H52	68.0°	90.0°
C37	N7	C46	H63	180.0°	90.0°
C37	N7	C46	H64	60.0°	90.0°
C37	N7	C46	H65	60.0°	90.0°
N7	C37	C36	O10	10.2°	90.0°
N7	C37	C36	N8	116.0°	90.0°
C46	N7	C37	H46	9.6°	90.0°
N7	C46	H63	H64	119.9°	90.0°
N7	C46	H63	H65	120.0°	90.0°
N7	C46	H64	H65	120.0°	90.0°
H46	C37	C40	H51	166.9°	90.0°
H46	C37	C40	H52	47.8°	90.0°
H46	C37	C36	O10	110.5°	90.0°
H46	C37	N7	C34	175.3°	90.0°
H46	C37	C36	N8	123.3°	90.0°
H47	C38	H48	H49	119.9°	90.0°
H47	C38	C41	H53	58.0°	90.0°
H48	C38	C41	H53	61.9°	90.0°
H49	C38	C41	H53	178.1°	90.0°
H50	C39	C41	H53	76.7°	90.0°
H50	C39	N8	C47	28.6°	90.0°
H50	C39	N8	C36	113.5°	90.0°
H51	C40	C41	H53	67.4°	90.0°
H52	C40	C41	H53	51.6°	90.0°
H53	C41	C39	N8	156.1°	90.0°
H54	C42	C43	H56	56.7°	90.0°
H54	C42	C43	H57	63.0°	90.0°
H55	C42	C43	H56	175.4°	90.0°
H55	C42	C43	H57	55.8°	90.0°
H56	C43	C44	H58	50.0°	90.0°
H56	C43	C44	H59	68.8°	90.0°
H57	C43	C44	H58	169.7°	90.0°
H57	C43	C44	H59	50.8°	90.0°
H58	C44	C45	H60	59.4°	90.0°
H58	C44	C45	H61	60.6°	90.0°
H58	C44	C45	H62	179.4°	90.0°
H59	C44	C45	H60	59.4°	90.0°
H59	C44	C45	H61	179.5°	90.0°
H59	C44	C45	H62	60.6°	90.0°
H60	C45	H61	H62	120.0°	90.0°
H63	C46	H64	H65	120.1°	90.0°
H63	C46	N7	C34	4.8°	90.0°
H64	C46	N7	C34	115.2°	90.0°
H65	C46	N7	C34	124.9°	90.0°
O10	C36	N8	C47	53.6°	90.0°
O10	C36	N8	C39	163.7°	90.0°
H66	O10	C36	N8	72.8°	90.0°
N8	C47	C48	C49	124.0°	90.0°
N8	C47	C48	H67	113.1°	90.0°
N8	C47	C49	H67	120.3°	90.0°
N8	C47	C48	O11	149.3°	90.0°
N8	C47	C49	C50	75.5°	90.0°
N8	C47	C49	H68	45.9°	90.0°
N8	C47	C49	H69	163.2°	90.0°
C47	N8	C36	C39	142.7°	90.0°
N8	C47	C48	N9	30.3°	90.0°
C48	C47	C49	H67	122.8°	90.0°
C47	C48	O11	N9	179.6°	90.0°
C48	C47	C49	C50	167.5°	90.0°
C48	C47	C49	H68	71.1°	90.0°
C48	C47	C49	H69	46.2°	90.0°
C47	C48	N9	C53	179.8°	90.0°
C47	C48	N9	H77	0.1°	90.0°
C48	C47	N8	C36	118.2°	90.0°
C48	C47	N8	C39	95.2°	90.0°
C49	C47	C48	O11	25.3°	90.0°
C47	C49	C50	H68	121.4°	90.0°
C47	C49	C50	H69	121.3°	90.0°
C47	C49	H68	H69	115.7°	90.0°
C47	C49	C50	C51	173.7°	90.0°
C47	C49	C50	C52	59.7°	90.0°
C47	C49	C50	H70	55.1°	90.0°
C49	C47	N8	C36	113.4°	90.0°
C49	C47	N8	C39	33.2°	90.0°
C49	C47	C48	N9	154.3°	90.0°
H67	C47	C48	O11	97.6°	90.0°
H67	C47	C49	C50	44.7°	90.0°
H67	C47	C49	H68	166.1°	90.0°
H67	C47	C49	H69	76.6°	90.0°
H67	C47	N8	C36	6.2°	90.0°
H67	C47	N8	C39	152.8°	90.0°
H67	C47	C48	N9	82.9°	90.0°
O11	C48	N9	C53	0.6°	90.0°
O11	C48	N9	H77	179.4°	90.0°
C50	C49	H68	H69	115.6°	90.0°
C49	C50	C51	C52	121.3°	90.0°
C49	C50	C51	H70	119.2°	90.0°
C49	C50	C52	H70	115.2°	90.0°
C49	C50	C51	H71	179.9°	90.0°
C49	C50	C51	H72	59.9°	90.0°
C49	C50	C51	H73	60.0°	90.0°
C49	C50	C52	H74	180.0°	90.0°
C49	C50	C52	H75	60.0°	90.0°
C49	C50	C52	H76	60.0°	90.0°
H68	C49	C50	C51	52.2°	90.0°
H68	C49	C50	C52	178.9°	90.0°
H68	C49	C50	H70	66.3°	90.0°
H69	C49	C50	C51	65.0°	90.0°
H69	C49	C50	C52	61.6°	90.0°
H69	C49	C50	H70	176.4°	90.0°
C51	C50	C52	H70	119.3°	90.0°
C50	C51	H71	H72	120.1°	90.0°
C50	C51	H71	H73	120.0°	90.0°
C50	C51	H72	H73	120.0°	90.0°
C51	C50	C52	H74	54.5°	90.0°
C51	C50	C52	H75	65.5°	90.0°
C51	C50	C52	H76	174.5°	90.0°
C52	C50	C51	H71	58.8°	90.0°
C52	C50	C51	H72	178.8°	90.0°
C52	C50	C51	H73	61.2°	90.0°
C50	C52	H74	H75	120.0°	90.0°
C50	C52	H74	H76	120.0°	90.0°
C50	C52	H75	H76	120.0°	90.0°
H70	C50	C51	H71	60.8°	90.0°
H70	C50	C51	H72	59.2°	90.0°
H70	C50	C51	H73	179.2°	90.0°
H70	C50	C52	H74	64.8°	90.0°
H70	C50	C52	H75	175.2°	90.0°
H70	C50	C52	H76	55.2°	90.0°
H71	C51	H72	H73	120.0°	90.0°
H74	C52	H75	H76	120.0°	90.0°
C53	N9	H77	C48	179.9°	90.0°
N9	C53	C54	C55	121.3°	90.0°
N9	C53	C54	H78	116.2°	90.0°
N9	C53	C55	H78	123.7°	90.0°
N9	C53	C54	O12	77.7°	90.0°
N9	C53	C55	C56	176.0°	90.0°
N9	C53	C55	H79	63.8°	90.0°
N9	C53	C55	H80	55.9°	90.0°
N9	C53	C54	N2	100.4°	90.0°
H77	N9	C53	C54	77.6°	90.0°
H77	N9	C53	C55	44.5°	90.0°
H77	N9	C53	H78	167.4°	90.0°
C54	C53	C55	H78	122.3°	90.0°
C53	C54	O12	N2	178.0°	90.0°
C54	C53	C55	C56	62.1°	90.0°
C54	C53	C55	H79	177.8°	90.0°
C54	C53	C55	H80	58.0°	90.0°
C54	C53	N9	C48	102.4°	90.0°
C55	C53	C54	O12	43.7°	90.0°
C53	C55	C56	H79	120.1°	90.0°
C53	C55	C56	H80	120.1°	90.0°
C53	C55	H79	H80	119.6°	90.0°
C53	C55	C56	C57	106.4°	90.0°
C53	C55	C56	H81	14.7°	90.0°
C53	C55	C56	H82	132.6°	90.0°
C55	C53	C54	N2	138.3°	90.0°
C55	C53	N9	C48	135.5°	90.0°
H78	C53	C54	O12	166.1°	90.0°
H78	C53	C55	C56	60.3°	90.0°
H78	C53	C55	H79	59.9°	90.0°
H78	C53	C55	H80	179.6°	90.0°
H78	C53	C54	N2	15.9°	90.0°
H78	C53	N9	C48	12.6°	90.0°
C56	C55	H79	H80	119.7°	90.0°
C55	C56	C57	H81	121.1°	90.0°
C55	C56	C57	H82	121.0°	90.0°
C55	C56	H81	H82	116.8°	90.0°
C55	C56	C57	C58	114.7°	90.0°
C55	C56	C57	H83	6.2°	90.0°
C55	C56	C57	H84	124.4°	90.0°
H79	C55	C56	C57	133.4°	90.0°
H79	C55	C56	H81	105.5°	90.0°
H79	C55	C56	H82	12.4°	90.0°
H80	C55	C56	C57	13.6°	90.0°
H80	C55	C56	H81	134.7°	90.0°
H80	C55	C56	H82	107.3°	90.0°
C57	C56	H81	H82	116.8°	90.0°
C56	C57	C58	H83	120.8°	90.0°
C56	C57	C58	H84	120.9°	90.0°
C56	C57	H83	H84	117.4°	90.0°
C56	C57	C58	H85	180.0°	90.0°
C56	C57	C58	H86	60.1°	90.0°
C56	C57	C58	H87	60.0°	90.0°
H81	C56	C57	C58	124.2°	90.0°
H81	C56	C57	H83	114.9°	90.0°
H81	C56	C57	H84	3.4°	90.0°
H82	C56	C57	C58	6.3°	90.0°
H82	C56	C57	H83	127.1°	90.0°
H82	C56	C57	H84	114.6°	90.0°
C58	C57	H83	H84	117.5°	90.0°
C57	C58	H85	H86	120.0°	90.0°
C57	C58	H85	H87	120.0°	90.0°
C57	C58	H86	H87	120.0°	90.0°
H83	C57	C58	H85	59.2°	90.0°
H83	C57	C58	H86	179.2°	90.0°
H83	C57	C58	H87	60.8°	90.0°
H84	C57	C58	H85	59.1°	90.0°
H84	C57	C58	H86	60.8°	90.0°
H84	C57	C58	H87	179.2°	90.0°
H85	C58	H86	H87	120.0°	90.0°

Release date:	2025-04-16
Last modified:	2025-04-16
Processing site:	RCSB