PRD_002268

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	0.00Å	1.50Å
N1	H1	sing	0.00Å	1.00Å
C1	C2	sing	0.00Å	1.57Å
C1	C3	sing	0.00Å	1.49Å
C1	H2	sing	0.00Å	1.10Å
C2	O1	doub	0.00Å	1.23Å
C3	H3	sing	0.00Å	1.10Å
C3	H4	sing	0.00Å	1.10Å
C3	H5	sing	0.00Å	1.10Å
N2	C4	sing	0.00Å	1.53Å
N2	H6	sing	0.00Å	1.00Å
C4	C5	sing	0.00Å	1.57Å
C4	C6	sing	0.00Å	1.47Å
C4	H7	sing	0.00Å	1.10Å
C5	O2	doub	0.00Å	1.28Å
C5	O4	sing	0.00Å	21.17Å
C6	C7	sing	0.00Å	1.57Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.53Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	O3	doub	0.00Å	1.23Å
O4	H12	sing	0.00Å	0.00Å
N3	C9	sing	0.00Å	1.44Å
N3	H13	sing	0.00Å	1.00Å
C9	C10	sing	0.00Å	1.55Å
C9	C11	sing	0.00Å	1.53Å
C9	H14	sing	0.00Å	1.10Å
C10	O5	doub	0.00Å	1.26Å
C11	C12	sing	0.00Å	1.55Å
C11	H15	sing	0.00Å	1.10Å
C11	H16	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.56Å
C12	H17	sing	0.00Å	1.10Å
C12	H18	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.60Å
C13	H19	sing	0.00Å	1.10Å
C13	H20	sing	0.00Å	1.10Å
C14	N4	sing	0.00Å	1.53Å
C14	H21	sing	0.00Å	1.10Å
C14	H22	sing	0.00Å	1.10Å
N4	H23	sing	0.00Å	1.00Å
N4	H24	sing	0.00Å	1.00Å
N4	H25	sing	0.00Å	1.00Å
N5	C15	sing	0.00Å	1.60Å
N5	H26	sing	0.00Å	1.00Å
C15	C16	sing	0.00Å	1.68Å
C15	C17	sing	0.00Å	1.68Å
C15	H27	sing	0.00Å	1.10Å
C16	H28	sing	0.00Å	1.10Å
C16	H29	sing	0.00Å	1.10Å
C16	H30	sing	0.00Å	1.10Å
C17	O6	doub	0.00Å	1.21Å
N6	C18	sing	0.00Å	1.57Å
N6	H31	sing	0.00Å	1.00Å
C18	C19	sing	0.00Å	1.58Å
C18	C20	sing	0.00Å	1.63Å
C18	H32	sing	0.00Å	1.10Å
C19	H33	sing	0.00Å	1.10Å
C19	H34	sing	0.00Å	1.10Å
C19	H35	sing	0.00Å	1.10Å
C20	O7	doub	0.00Å	1.22Å
C20	O8	sing	0.00Å	1.32Å
O8	H36	sing	0.00Å	0.95Å
C21	C22	sing	0.00Å	1.53Å
C22	C23	sing	0.00Å	1.53Å
C23	C24	sing	0.00Å	1.54Å
C24	C25	sing	0.00Å	1.53Å
C25	C26	sing	0.00Å	1.52Å
C27	C28	sing	0.00Å	1.49Å
C29	C30	sing	0.00Å	1.54Å
C29	C31	sing	0.00Å	1.57Å
C21	O9	sing	0.00Å	1.39Å
C23	O10	sing	0.00Å	1.44Å
C29	O10	sing	0.00Å	1.44Å
C24	O11	sing	0.00Å	1.46Å
C21	O12	sing	0.00Å	1.45Å
C25	O12	sing	0.00Å	1.46Å
C26	O13	sing	0.00Å	1.42Å
C27	O14	doub	0.00Å	1.23Å
C30	O15	doub	0.00Å	1.21Å
C22	N7	sing	0.00Å	1.46Å
C27	N7	sing	0.00Å	1.33Å
C21	H37	sing	0.00Å	1.10Å
C22	H38	sing	0.00Å	1.10Å
N7	H39	sing	0.00Å	1.00Å
C28	H40	sing	0.00Å	1.10Å
C28	H41	sing	0.00Å	1.10Å
C28	H42	sing	0.00Å	1.10Å
C23	H43	sing	0.00Å	1.10Å
C29	H44	sing	0.00Å	1.10Å
C31	H45	sing	0.00Å	1.10Å
C31	H46	sing	0.00Å	1.10Å
C31	H47	sing	0.00Å	1.10Å
C24	H48	sing	0.00Å	1.10Å
C25	H49	sing	0.00Å	1.10Å
C26	H50	sing	0.00Å	1.10Å
C26	H51	sing	0.00Å	1.10Å
O13	H52	sing	0.00Å	0.95Å
C32	C33	sing	0.00Å	1.50Å
C32	O18	sing	0.00Å	1.43Å
C32	H53	sing	0.00Å	1.10Å
C33	C34	sing	0.00Å	1.51Å
C33	N8	sing	0.00Å	1.45Å
C33	H54	sing	0.00Å	1.10Å
C34	C35	sing	0.00Å	1.54Å
C34	O16	sing	0.00Å	1.42Å
C34	H55	sing	0.00Å	1.10Å
C35	C36	sing	0.00Å	1.53Å
C35	O17	sing	0.00Å	1.42Å
C35	H56	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.52Å
C36	O18	sing	0.00Å	1.43Å
C36	H57	sing	0.00Å	1.10Å
C37	O19	sing	0.00Å	1.42Å
C37	H58	sing	0.00Å	1.10Å
C37	H59	sing	0.00Å	1.10Å
C38	C39	sing	0.00Å	1.52Å
C38	N8	sing	0.00Å	1.34Å
C38	O20	doub	0.00Å	1.23Å
C39	H60	sing	0.00Å	1.10Å
C39	H61	sing	0.00Å	1.10Å
C39	H62	sing	0.00Å	1.10Å
N8	H63	sing	0.00Å	1.00Å
O16	H64	sing	0.00Å	0.95Å
O17	H65	sing	0.00Å	0.95Å
O19	H66	sing	0.00Å	0.95Å
P1	O21	sing	0.00Å	1.48Å
P1	O22	sing	0.00Å	1.49Å
P1	O23	doub	0.00Å	1.60Å
P2	O24	sing	0.00Å	1.48Å
P2	O25	sing	0.00Å	1.48Å
P2	O26	doub	0.00Å	1.59Å
C44	C42	sing	0.00Å	1.52Å
C42	C43	sing	0.00Å	1.52Å
C42	C41	doub	0.00Å	1.32Å
C40	C41	sing	0.00Å	1.52Å
C40	H67	sing	0.00Å	1.10Å
C40	H68	sing	0.00Å	1.10Å
C41	H69	sing	0.00Å	1.08Å
C43	H70	sing	0.00Å	1.10Å
C43	H71	sing	0.00Å	1.10Å
C44	H72	sing	0.00Å	1.10Å
C44	H73	sing	0.00Å	1.10Å
C44	H74	sing	0.00Å	1.10Å
C49	C47	sing	0.00Å	1.53Å
C47	C48	sing	0.00Å	1.51Å
C47	C46	doub	0.00Å	1.33Å
C45	C46	sing	0.00Å	1.50Å
C45	H75	sing	0.00Å	1.10Å
C45	H76	sing	0.00Å	1.10Å
C46	H77	sing	0.00Å	1.08Å
C48	H78	sing	0.00Å	1.10Å
C48	H79	sing	0.00Å	1.10Å
C49	H80	sing	0.00Å	1.10Å
C49	H81	sing	0.00Å	1.10Å
C49	H82	sing	0.00Å	1.10Å
C54	C52	sing	0.00Å	1.53Å
C52	C53	sing	0.00Å	1.54Å
C52	C51	doub	0.00Å	1.34Å
C50	C51	sing	0.00Å	1.50Å
C50	H83	sing	0.00Å	1.10Å
C50	H84	sing	0.00Å	1.10Å
C51	H85	sing	0.00Å	1.08Å
C53	H86	sing	0.00Å	1.10Å
C53	H87	sing	0.00Å	1.10Å
C53	H88	sing	0.00Å	1.10Å
C54	H89	sing	0.00Å	1.10Å
C54	H90	sing	0.00Å	1.10Å
C54	H91	sing	0.00Å	1.10Å
C2	N2	sing	0.00Å	1.40Å
C8	N3	sing	0.00Å	1.31Å
C10	N5	sing	0.00Å	1.40Å
C17	N6	sing	0.00Å	1.38Å
O11	C32	sing	0.00Å	1.44Å
N1	C30	sing	0.00Å	1.37Å
O9	P1	sing	0.00Å	1.64Å
O23	P2	sing	0.00Å	1.60Å
O26	C40	sing	0.00Å	1.42Å
C43	C45	sing	0.00Å	1.53Å
C48	C50	sing	0.00Å	1.53Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	119.1°	90.0°
N1	C1	C2	112.0°	90.0°
N1	C1	C3	109.2°	90.0°
N1	C1	H2	109.3°	90.0°
C1	N1	C30	121.9°	90.0°
H1	N1	C30	119.1°	90.0°
C2	C1	C3	108.6°	90.0°
C2	C1	H2	108.4°	90.0°
C1	C2	O1	122.1°	90.0°
C1	C2	N2	113.9°	90.0°
C3	C1	H2	109.4°	90.0°
C1	C3	H3	109.5°	90.0°
C1	C3	H4	109.4°	90.0°
C1	C3	H5	109.5°	90.0°
O1	C2	N2	123.3°	90.0°
H3	C3	H4	109.5°	90.0°
H3	C3	H5	109.5°	90.0°
H4	C3	H5	109.5°	90.0°
C4	N2	H6	121.4°	90.0°
N2	C4	C5	113.6°	90.0°
N2	C4	C6	112.1°	90.0°
N2	C4	H7	111.2°	90.0°
C4	N2	C2	117.3°	90.0°
H6	N2	C2	121.3°	90.0°
C5	C4	C6	96.3°	90.0°
C5	C4	H7	110.7°	90.0°
C4	C5	O2	113.5°	90.0°
C4	C5	O4	102.1°	90.0°
C6	C4	H7	112.2°	90.0°
C4	C6	C7	116.6°	90.0°
C4	C6	H8	107.7°	90.0°
C4	C6	H9	107.7°	90.0°
O2	C5	O4	20.1°	90.0°
C5	O4	H12	90.0°	90.0°
C7	C6	H8	107.7°	90.0°
C7	C6	H9	107.7°	90.0°
C6	C7	C8	111.2°	90.0°
C6	C7	H10	109.0°	90.0°
C6	C7	H11	109.0°	90.0°
H8	C6	H9	109.5°	90.0°
C8	C7	H10	109.1°	90.0°
C8	C7	H11	109.0°	90.0°
C7	C8	O3	120.2°	90.0°
C7	C8	N3	116.5°	90.0°
H10	C7	H11	109.5°	90.0°
O3	C8	N3	123.3°	90.0°
C9	N3	H13	118.2°	90.0°
N3	C9	C10	113.8°	90.0°
N3	C9	C11	110.0°	90.0°
N3	C9	H14	105.2°	90.0°
C9	N3	C8	123.7°	90.0°
H13	N3	C8	118.1°	90.0°
C10	C9	C11	117.9°	90.0°
C10	C9	H14	104.1°	90.0°
C9	C10	O5	122.0°	90.0°
C9	C10	N5	109.1°	90.0°
C11	C9	H14	104.3°	90.0°
C9	C11	C12	108.8°	90.0°
C9	C11	H15	109.7°	90.0°
C9	C11	H16	109.6°	90.0°
O5	C10	N5	128.7°	90.0°
C12	C11	H15	109.6°	90.0°
C12	C11	H16	109.6°	90.0°
C11	C12	C13	116.3°	90.0°
C11	C12	H17	107.8°	90.0°
C11	C12	H18	107.7°	90.0°
H15	C11	H16	109.5°	90.0°
C13	C12	H17	107.7°	90.0°
C13	C12	H18	107.8°	90.0°
C12	C13	C14	118.1°	90.0°
C12	C13	H19	107.3°	90.0°
C12	C13	H20	107.3°	90.0°
H17	C12	H18	109.5°	90.0°
C14	C13	H19	107.2°	90.0°
C14	C13	H20	107.3°	90.0°
C13	C14	N4	130.7°	90.0°
C13	C14	H21	103.9°	90.0°
C13	C14	H22	103.9°	90.0°
H19	C13	H20	109.5°	90.0°
N4	C14	H21	103.9°	90.0°
N4	C14	H22	103.9°	90.0°
C14	N4	H23	109.5°	90.0°
C14	N4	H24	109.5°	90.0°
C14	N4	H25	109.5°	90.0°
H21	C14	H22	109.5°	90.0°
H23	N4	H24	109.5°	90.0°
H23	N4	H25	109.5°	90.0°
H24	N4	H25	109.4°	90.0°
C15	N5	H26	114.8°	90.0°
N5	C15	C16	120.1°	90.0°
N5	C15	C17	98.7°	90.0°
N5	C15	H27	102.0°	90.0°
C15	N5	C10	130.4°	90.0°
H26	N5	C10	114.8°	90.0°
C16	C15	C17	128.8°	90.0°
C16	C15	H27	101.4°	90.0°
C15	C16	H28	109.5°	90.0°
C15	C16	H29	109.5°	90.0°
C15	C16	H30	109.5°	90.0°
C17	C15	H27	101.4°	90.0°
C15	C17	O6	123.4°	90.0°
C15	C17	N6	113.4°	90.0°
H28	C16	H29	109.5°	90.0°
H28	C16	H30	109.5°	90.0°
H29	C16	H30	109.4°	90.0°
O6	C17	N6	123.2°	90.0°
C18	N6	H31	116.3°	90.0°
N6	C18	C19	100.5°	90.0°
N6	C18	C20	106.0°	90.0°
N6	C18	H32	111.7°	90.0°
C18	N6	C17	127.3°	90.0°
H31	N6	C17	116.4°	90.0°
C19	C18	C20	115.7°	90.0°
C19	C18	H32	111.5°	90.0°
C18	C19	H33	109.5°	90.0°
C18	C19	H34	109.5°	90.0°
C18	C19	H35	109.5°	90.0°
C20	C18	H32	110.9°	90.0°
C18	C20	O7	112.8°	90.0°
C18	C20	O8	124.1°	90.0°
H33	C19	H34	109.5°	90.0°
H33	C19	H35	109.5°	90.0°
H34	C19	H35	109.5°	90.0°
O7	C20	O8	122.8°	90.0°
C20	O8	H36	109.5°	90.0°
C21	C22	C23	109.1°	90.0°
C22	C21	O9	109.6°	90.0°
C22	C21	O12	111.0°	90.0°
C21	C22	N7	111.3°	90.0°
C22	C21	H37	108.4°	90.0°
C21	C22	H38	108.1°	90.0°
C22	C23	C24	111.4°	90.0°
C22	C23	O10	110.8°	90.0°
C23	C22	N7	111.1°	90.0°
C23	C22	H38	108.1°	90.0°
C22	C23	H43	107.1°	90.0°
C23	C24	C25	109.5°	90.0°
C24	C23	O10	112.1°	90.0°
C23	C24	O11	109.8°	90.0°
C24	C23	H43	107.0°	90.0°
C23	C24	H48	108.1°	90.0°
C24	C25	C26	110.8°	90.0°
C25	C24	O11	111.9°	90.0°
C24	C25	O12	111.0°	90.0°
C25	C24	H48	108.3°	90.0°
C24	C25	H49	108.5°	90.0°
C26	C25	O12	108.4°	90.0°
C25	C26	O13	111.2°	90.0°
C26	C25	H49	108.6°	90.0°
C25	C26	H50	109.0°	90.0°
C25	C26	H51	109.0°	90.0°
C28	C27	O14	119.1°	90.0°
C28	C27	N7	119.7°	90.0°
C27	C28	H40	109.5°	90.0°
C27	C28	H41	109.5°	90.0°
C27	C28	H42	109.5°	90.0°
C30	C29	C31	121.1°	90.0°
C30	C29	O10	119.2°	90.0°
C29	C30	O15	119.4°	90.0°
C30	C29	H44	92.2°	90.0°
C29	C30	N1	118.1°	90.0°
C31	C29	O10	119.2°	90.0°
C31	C29	H44	92.2°	90.0°
C29	C31	H45	109.5°	90.0°
C29	C31	H46	109.5°	90.0°
C29	C31	H47	109.4°	90.0°
O9	C21	O12	107.9°	90.0°
O9	C21	H37	110.4°	90.0°
C21	O9	P1	123.8°	90.0°
C23	O10	C29	112.1°	90.0°
O10	C23	H43	108.3°	90.0°
O10	C29	H44	92.4°	90.0°
O11	C24	H48	109.2°	90.0°
C24	O11	C32	115.4°	90.0°
C21	O12	C25	113.5°	90.0°
O12	C21	H37	109.5°	90.0°
O12	C25	H49	109.4°	90.0°
O13	C26	H50	109.0°	90.0°
O13	C26	H51	109.0°	90.0°
C26	O13	H52	109.5°	90.0°
O14	C27	N7	121.2°	90.0°
O15	C30	N1	122.2°	90.0°
C22	N7	C27	119.4°	90.0°
N7	C22	H38	109.0°	90.0°
C22	N7	H39	120.3°	90.0°
C27	N7	H39	120.4°	90.0°
H40	C28	H41	109.5°	90.0°
H40	C28	H42	109.5°	90.0°
H41	C28	H42	109.5°	90.0°
H45	C31	H46	109.5°	90.0°
H45	C31	H47	109.5°	90.0°
H46	C31	H47	109.5°	90.0°
H50	C26	H51	109.5°	90.0°
C33	C32	O18	111.0°	90.0°
C33	C32	H53	108.1°	90.0°
C32	C33	C34	109.6°	90.0°
C32	C33	N8	110.2°	90.0°
C32	C33	H54	108.6°	90.0°
C33	C32	O11	109.0°	90.0°
O18	C32	H53	109.1°	90.0°
C32	O18	C36	111.2°	90.0°
O18	C32	O11	110.5°	90.0°
H53	C32	O11	109.0°	90.0°
C34	C33	N8	110.8°	90.0°
C34	C33	H54	108.5°	90.0°
C33	C34	C35	110.1°	90.0°
C33	C34	O16	108.7°	90.0°
C33	C34	H55	109.0°	90.0°
N8	C33	H54	109.1°	90.0°
C33	N8	C38	121.9°	90.0°
C33	N8	H63	119.1°	90.0°
C35	C34	O16	110.0°	90.0°
C35	C34	H55	108.7°	90.0°
C34	C35	C36	111.3°	90.0°
C34	C35	O17	109.2°	90.0°
C34	C35	H56	108.5°	90.0°
O16	C34	H55	110.3°	90.0°
C34	O16	H64	109.5°	90.0°
C36	C35	O17	109.3°	90.0°
C36	C35	H56	108.6°	90.0°
C35	C36	C37	112.1°	90.0°
C35	C36	O18	109.7°	90.0°
C35	C36	H57	108.4°	90.0°
O17	C35	H56	110.0°	90.0°
C35	O17	H65	109.5°	90.0°
C37	C36	O18	108.4°	90.0°
C37	C36	H57	108.5°	90.0°
C36	C37	O19	111.4°	90.0°
C36	C37	H58	109.0°	90.0°
C36	C37	H59	109.0°	90.0°
O18	C36	H57	109.7°	90.0°
O19	C37	H58	109.0°	90.0°
O19	C37	H59	109.0°	90.0°
C37	O19	H66	109.5°	90.0°
H58	C37	H59	109.5°	90.0°
C39	C38	N8	118.2°	90.0°
C39	C38	O20	118.9°	90.0°
C38	C39	H60	109.5°	90.0°
C38	C39	H61	109.4°	90.0°
C38	C39	H62	109.5°	90.0°
N8	C38	O20	122.5°	90.0°
C38	N8	H63	119.0°	90.0°
H60	C39	H61	109.5°	90.0°
H60	C39	H62	109.5°	90.0°
H61	C39	H62	109.5°	90.0°
O21	P1	O22	117.3°	90.0°
O21	P1	O23	107.6°	90.0°
O21	P1	O9	111.7°	90.0°
O22	P1	O23	107.8°	90.0°
O22	P1	O9	109.3°	90.0°
O23	P1	O9	102.0°	90.0°
P1	O23	P2	118.8°	90.0°
O24	P2	O25	119.5°	90.0°
O24	P2	O26	108.5°	90.0°
O24	P2	O23	108.3°	90.0°
O25	P2	O26	107.9°	90.0°
O25	P2	O23	108.2°	90.0°
O26	P2	O23	103.1°	90.0°
P2	O26	C40	119.8°	90.0°
C44	C42	C43	116.2°	90.0°
C44	C42	C41	123.4°	90.0°
C42	C44	H72	109.5°	90.0°
C42	C44	H73	109.5°	90.0°
C42	C44	H74	109.5°	90.0°
C43	C42	C41	120.4°	90.0°
C42	C43	H70	108.6°	90.0°
C42	C43	H71	108.7°	90.0°
C42	C43	C45	112.8°	90.0°
C42	C41	C40	125.3°	90.0°
C42	C41	H69	117.3°	90.0°
C41	C40	H67	109.6°	90.0°
C41	C40	H68	109.6°	90.0°
C40	C41	H69	117.4°	90.0°
C41	C40	O26	108.8°	90.0°
H67	C40	H68	109.5°	90.0°
H67	C40	O26	109.6°	90.0°
H68	C40	O26	109.6°	90.0°
H70	C43	H71	109.5°	90.0°
H70	C43	C45	108.7°	90.0°
H71	C43	C45	108.6°	90.0°
H72	C44	H73	109.5°	90.0°
H72	C44	H74	109.5°	90.0°
H73	C44	H74	109.5°	90.0°
C49	C47	C48	113.3°	90.0°
C49	C47	C46	123.1°	90.0°
C47	C49	H80	109.5°	90.0°
C47	C49	H81	109.5°	90.0°
C47	C49	H82	109.5°	90.0°
C48	C47	C46	123.5°	90.0°
C47	C48	H78	109.0°	90.0°
C47	C48	H79	109.0°	90.0°
C47	C48	C50	111.4°	90.0°
C47	C46	C45	123.0°	90.0°
C47	C46	H77	118.5°	90.0°
C46	C45	H75	109.4°	90.0°
C46	C45	H76	109.4°	90.0°
C45	C46	H77	118.5°	90.0°
C46	C45	C43	109.8°	90.0°
H75	C45	H76	109.5°	90.0°
H75	C45	C43	109.4°	90.0°
H76	C45	C43	109.4°	90.0°
H78	C48	H79	109.5°	90.0°
H78	C48	C50	109.0°	90.0°
H79	C48	C50	109.0°	90.0°
H80	C49	H81	109.5°	90.0°
H80	C49	H82	109.4°	90.0°
H81	C49	H82	109.5°	90.0°
C54	C52	C53	113.8°	90.0°
C54	C52	C51	123.5°	90.0°
C52	C54	H89	109.5°	90.0°
C52	C54	H90	109.4°	90.0°
C52	C54	H91	109.5°	90.0°
C53	C52	C51	122.7°	90.0°
C52	C53	H86	109.5°	90.0°
C52	C53	H87	109.5°	90.0°
C52	C53	H88	109.4°	90.0°
C52	C51	C50	125.4°	90.0°
C52	C51	H85	117.3°	90.0°
C51	C50	H83	109.0°	90.0°
C51	C50	H84	109.0°	90.0°
C50	C51	H85	117.3°	90.0°
C51	C50	C48	111.2°	90.0°
H83	C50	H84	109.5°	90.0°
H83	C50	C48	109.1°	90.0°
H84	C50	C48	109.0°	90.0°
H86	C53	H87	109.5°	90.0°
H86	C53	H88	109.4°	90.0°
H87	C53	H88	109.5°	90.0°
H89	C54	H90	109.5°	90.0°
H89	C54	H91	109.4°	90.0°
H90	C54	H91	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C30	180.0°	90.0°
N1	C1	C2	C3	120.6°	90.0°
N1	C1	C2	H2	120.7°	90.0°
N1	C1	C3	H2	119.6°	90.0°
N1	C1	C2	O1	79.0°	90.0°
N1	C1	C3	H3	180.0°	90.0°
N1	C1	C3	H4	60.0°	90.0°
N1	C1	C3	H5	60.0°	90.0°
C1	N1	C30	C29	177.0°	90.0°
C1	N1	C30	O15	9.7°	90.0°
N1	C1	C2	N2	110.3°	90.0°
H1	N1	C1	C2	4.3°	90.0°
H1	N1	C1	C3	124.5°	90.0°
H1	N1	C1	H2	115.8°	90.0°
H1	N1	C30	C29	3.0°	90.0°
H1	N1	C30	O15	170.3°	90.0°
C2	C1	C3	H2	118.1°	90.0°
C1	C2	O1	N2	169.9°	90.0°
C2	C1	C3	H3	57.7°	90.0°
C2	C1	C3	H4	177.7°	90.0°
C2	C1	C3	H5	62.3°	90.0°
C1	C2	N2	C4	176.1°	90.0°
C1	C2	N2	H6	3.9°	90.0°
C2	C1	N1	C30	175.7°	90.0°
C3	C1	C2	O1	160.4°	90.0°
C1	C3	H3	H4	120.0°	90.0°
C1	C3	H3	H5	120.0°	90.0°
C1	C3	H4	H5	120.0°	90.0°
C3	C1	C2	N2	10.3°	90.0°
C3	C1	N1	C30	55.5°	90.0°
H2	C1	C2	O1	41.7°	90.0°
H2	C1	C3	H3	60.4°	90.0°
H2	C1	C3	H4	59.6°	90.0°
H2	C1	C3	H5	179.6°	90.0°
H2	C1	C2	N2	129.1°	90.0°
H2	C1	N1	C30	64.1°	90.0°
O1	C2	N2	C4	13.3°	90.0°
O1	C2	N2	H6	166.7°	90.0°
H3	C3	H4	H5	120.0°	90.0°
C4	N2	H6	C2	180.0°	90.0°
N2	C4	C5	C6	117.4°	90.0°
N2	C4	C5	H7	125.9°	90.0°
N2	C4	C6	H7	126.0°	90.0°
N2	C4	C5	O2	52.0°	90.0°
N2	C4	C5	O4	69.4°	90.0°
N2	C4	C6	C7	13.1°	90.0°
N2	C4	C6	H8	107.9°	90.0°
N2	C4	C6	H9	134.2°	90.0°
H6	N2	C4	C5	147.9°	90.0°
H6	N2	C4	C6	104.3°	90.0°
H6	N2	C4	H7	22.2°	90.0°
C5	C4	C6	H7	115.4°	90.0°
C4	C5	O2	O4	58.4°	90.0°
C5	C4	C6	C7	105.5°	90.0°
C5	C4	C6	H8	133.5°	90.0°
C5	C4	C6	H9	15.5°	90.0°
C4	C5	O4	H12	90.0°	90.0°
C5	C4	N2	C2	32.1°	90.0°
C6	C4	C5	O2	169.4°	90.0°
C6	C4	C5	O4	173.2°	90.0°
C4	C6	C7	H8	121.0°	90.0°
C4	C6	C7	H9	121.0°	90.0°
C4	C6	H8	H9	116.8°	90.0°
C4	C6	C7	C8	127.1°	90.0°
C4	C6	C7	H10	6.8°	90.0°
C4	C6	C7	H11	112.7°	90.0°
C6	C4	N2	C2	75.7°	90.0°
H7	C4	C5	O2	74.0°	90.0°
H7	C4	C5	O4	56.5°	90.0°
H7	C4	C6	C7	139.1°	90.0°
H7	C4	C6	H8	18.1°	90.0°
H7	C4	C6	H9	99.9°	90.0°
H7	C4	N2	C2	157.8°	90.0°
O2	C5	O4	H12	90.0°	90.0°
C7	C6	H8	H9	116.8°	90.0°
C6	C7	C8	H10	120.3°	90.0°
C6	C7	C8	H11	120.2°	90.0°
C6	C7	H10	H11	119.2°	90.0°
C6	C7	C8	O3	147.9°	90.0°
C6	C7	C8	N3	32.1°	90.0°
H8	C6	C7	C8	111.9°	90.0°
H8	C6	C7	H10	127.8°	90.0°
H8	C6	C7	H11	8.3°	90.0°
H9	C6	C7	C8	6.0°	90.0°
H9	C6	C7	H10	114.2°	90.0°
H9	C6	C7	H11	126.3°	90.0°
C8	C7	H10	H11	119.2°	90.0°
C7	C8	O3	N3	179.9°	90.0°
C7	C8	N3	C9	179.3°	90.0°
C7	C8	N3	H13	0.8°	90.0°
H10	C7	C8	O3	91.8°	90.0°
H10	C7	C8	N3	88.1°	90.0°
H11	C7	C8	O3	27.7°	90.0°
H11	C7	C8	N3	152.4°	90.0°
O3	C8	N3	C9	0.7°	90.0°
O3	C8	N3	H13	179.3°	90.0°
C9	N3	H13	C8	180.0°	90.0°
N3	C9	C10	C11	131.0°	90.0°
N3	C9	C10	H14	114.0°	90.0°
N3	C9	C11	H14	112.4°	90.0°
N3	C9	C10	O5	147.2°	90.0°
N3	C9	C11	C12	96.7°	90.0°
N3	C9	C11	H15	23.2°	90.0°
N3	C9	C11	H16	143.4°	90.0°
N3	C9	C10	N5	27.2°	90.0°
H13	N3	C9	C10	114.4°	90.0°
H13	N3	C9	C11	110.8°	90.0°
H13	N3	C9	H14	1.0°	90.0°
C10	C9	C11	H14	114.8°	90.0°
C9	C10	O5	N5	173.2°	90.0°
C10	C9	C11	C12	130.6°	90.0°
C10	C9	C11	H15	109.5°	90.0°
C10	C9	C11	H16	10.7°	90.0°
C9	C10	N5	C15	175.9°	90.0°
C9	C10	N5	H26	4.0°	90.0°
C10	C9	N3	C8	65.6°	90.0°
C11	C9	C10	O5	16.2°	90.0°
C9	C11	C12	H15	119.9°	90.0°
C9	C11	C12	H16	119.9°	90.0°
C9	C11	H15	H16	120.3°	90.0°
C9	C11	C12	C13	46.0°	90.0°
C9	C11	C12	H17	75.0°	90.0°
C9	C11	C12	H18	167.0°	90.0°
C11	C9	N3	C8	69.2°	90.0°
C11	C9	C10	N5	158.2°	90.0°
H14	C9	C10	O5	98.8°	90.0°
H14	C9	C11	C12	15.7°	90.0°
H14	C9	C11	H15	135.6°	90.0°
H14	C9	C11	H16	104.2°	90.0°
H14	C9	N3	C8	179.0°	90.0°
H14	C9	C10	N5	86.8°	90.0°
O5	C10	N5	C15	10.1°	90.0°
O5	C10	N5	H26	169.9°	90.0°
C12	C11	H15	H16	120.3°	90.0°
C11	C12	C13	H17	121.0°	90.0°
C11	C12	C13	H18	121.0°	90.0°
C11	C12	H17	H18	116.9°	90.0°
C11	C12	C13	C14	99.5°	90.0°
C11	C12	C13	H19	139.3°	90.0°
C11	C12	C13	H20	21.8°	90.0°
H15	C11	C12	C13	166.0°	90.0°
H15	C11	C12	H17	45.0°	90.0°
H15	C11	C12	H18	73.1°	90.0°
H16	C11	C12	C13	73.9°	90.0°
H16	C11	C12	H17	165.1°	90.0°
H16	C11	C12	H18	47.1°	90.0°
C13	C12	H17	H18	116.9°	90.0°
C12	C13	C14	H19	121.2°	90.0°
C12	C13	C14	H20	121.3°	90.0°
C12	C13	H19	H20	116.1°	90.0°
C12	C13	C14	N4	65.8°	90.0°
C12	C13	C14	H21	56.9°	90.0°
C12	C13	C14	H22	171.5°	90.0°
H17	C12	C13	C14	21.6°	90.0°
H17	C12	C13	H19	99.7°	90.0°
H17	C12	C13	H20	142.8°	90.0°
H18	C12	C13	C14	139.6°	90.0°
H18	C12	C13	H19	18.4°	90.0°
H18	C12	C13	H20	99.2°	90.0°
C14	C13	H19	H20	116.1°	90.0°
C13	C14	N4	H21	122.7°	90.0°
C13	C14	N4	H22	122.8°	90.0°
C13	C14	H21	H22	110.5°	90.0°
C13	C14	N4	H23	180.0°	90.0°
C13	C14	N4	H24	60.0°	90.0°
C13	C14	N4	H25	60.0°	90.0°
H19	C13	C14	N4	173.0°	90.0°
H19	C13	C14	H21	64.3°	90.0°
H19	C13	C14	H22	50.2°	90.0°
H20	C13	C14	N4	55.5°	90.0°
H20	C13	C14	H21	178.2°	90.0°
H20	C13	C14	H22	67.3°	90.0°
N4	C14	H21	H22	110.5°	90.0°
C14	N4	H23	H24	120.0°	90.0°
C14	N4	H23	H25	120.0°	90.0°
C14	N4	H24	H25	120.0°	90.0°
H21	C14	N4	H23	57.3°	90.0°
H21	C14	N4	H24	177.3°	90.0°
H21	C14	N4	H25	62.7°	90.0°
H22	C14	N4	H23	57.2°	90.0°
H22	C14	N4	H24	62.8°	90.0°
H22	C14	N4	H25	177.3°	90.0°
H23	N4	H24	H25	120.0°	90.0°
C15	N5	H26	C10	180.0°	90.0°
N5	C15	C16	C17	133.8°	90.0°
N5	C15	C16	H27	111.2°	90.0°
N5	C15	C17	H27	104.2°	90.0°
N5	C15	C16	H28	180.0°	90.0°
N5	C15	C16	H29	60.0°	90.0°
N5	C15	C16	H30	60.0°	90.0°
N5	C15	C17	O6	118.0°	90.0°
N5	C15	C17	N6	58.8°	90.0°
H26	N5	C15	C16	132.8°	90.0°
H26	N5	C15	C17	81.9°	90.0°
H26	N5	C15	H27	21.9°	90.0°
C16	C15	C17	H27	115.0°	90.0°
C15	C16	H28	H29	120.0°	90.0°
C15	C16	H28	H30	120.0°	90.0°
C15	C16	H29	H30	120.0°	90.0°
C16	C15	C17	O6	22.8°	90.0°
C16	C15	N5	C10	47.2°	90.0°
C16	C15	C17	N6	160.4°	90.0°
C17	C15	C16	H28	46.2°	90.0°
C17	C15	C16	H29	73.8°	90.0°
C17	C15	C16	H30	166.2°	90.0°
C15	C17	O6	N6	176.5°	90.0°
C15	C17	N6	C18	177.2°	90.0°
C15	C17	N6	H31	2.8°	90.0°
C17	C15	N5	C10	98.1°	90.0°
H27	C15	C16	H28	68.8°	90.0°
H27	C15	C16	H29	171.2°	90.0°
H27	C15	C16	H30	51.2°	90.0°
H27	C15	C17	O6	137.8°	90.0°
H27	C15	N5	C10	158.2°	90.0°
H27	C15	C17	N6	45.4°	90.0°
H28	C16	H29	H30	120.0°	90.0°
O6	C17	N6	C18	6.0°	90.0°
O6	C17	N6	H31	174.0°	90.0°
C18	N6	H31	C17	180.0°	90.0°
N6	C18	C19	C20	113.5°	90.0°
N6	C18	C19	H32	118.5°	90.0°
N6	C18	C20	H32	121.4°	90.0°
N6	C18	C19	H33	180.0°	90.0°
N6	C18	C19	H34	60.0°	90.0°
N6	C18	C19	H35	60.0°	90.0°
N6	C18	C20	O7	45.4°	90.0°
N6	C18	C20	O8	140.5°	90.0°
H31	N6	C18	C19	129.3°	90.0°
H31	N6	C18	C20	109.9°	90.0°
H31	N6	C18	H32	11.0°	90.0°
C19	C18	C20	H32	128.3°	90.0°
C18	C19	H33	H34	120.0°	90.0°
C18	C19	H33	H35	120.0°	90.0°
C18	C19	H34	H35	120.0°	90.0°
C19	C18	C20	O7	155.8°	90.0°
C19	C18	C20	O8	30.1°	90.0°
C19	C18	N6	C17	50.7°	90.0°
C20	C18	C19	H33	66.5°	90.0°
C20	C18	C19	H34	53.5°	90.0°
C20	C18	C19	H35	173.5°	90.0°
C18	C20	O7	O8	174.1°	90.0°
C18	C20	O8	H36	173.5°	90.0°
C20	C18	N6	C17	70.1°	90.0°
H32	C18	C19	H33	61.5°	90.0°
H32	C18	C19	H34	178.5°	90.0°
H32	C18	C19	H35	58.5°	90.0°
H32	C18	C20	O7	75.9°	90.0°
H32	C18	C20	O8	98.1°	90.0°
H32	C18	N6	C17	169.0°	90.0°
H33	C19	H34	H35	120.0°	90.0°
O7	C20	O8	H36	0.0°	90.0°
C21	C22	C23	N7	123.1°	90.0°
C21	C22	C23	H38	117.3°	90.0°
C21	C22	C23	C24	30.4°	90.0°
C22	C21	O9	O12	121.0°	90.0°
C22	C21	O9	H37	119.4°	90.0°
C21	C22	C23	O10	155.9°	90.0°
C22	C21	O12	H37	119.7°	90.0°
C22	C21	O12	C25	69.0°	90.0°
C21	C22	N7	H38	119.2°	90.0°
C21	C22	N7	C27	88.6°	90.0°
C21	C22	N7	H39	91.4°	90.0°
C21	C22	C23	H43	86.3°	90.0°
C22	C21	O9	P1	112.8°	90.0°
C22	C23	C24	O10	124.8°	90.0°
C22	C23	C24	H43	116.7°	90.0°
C22	C23	C24	C25	63.7°	90.0°
C23	C22	C21	O9	150.9°	90.0°
C22	C23	O10	H43	117.1°	90.0°
C22	C23	O10	C29	50.2°	90.0°
C22	C23	C24	O11	173.1°	90.0°
C23	C22	C21	O12	31.8°	90.0°
C23	C22	N7	H38	119.0°	90.0°
C23	C22	N7	C27	33.2°	90.0°
C23	C22	C21	H37	88.5°	90.0°
C23	C22	N7	H39	146.8°	90.0°
C22	C23	C24	H48	54.1°	90.0°
C23	C24	C25	O11	122.0°	90.0°
C23	C24	C25	H48	117.7°	90.0°
C23	C24	C25	C26	150.4°	90.0°
C24	C23	O10	H43	117.7°	90.0°
C24	C23	O10	C29	74.9°	90.0°
C23	C24	O11	H48	118.3°	90.0°
C23	C24	C25	O12	29.9°	90.0°
C24	C23	C22	N7	153.5°	90.0°
C24	C23	C22	H38	86.9°	90.0°
C23	C24	C25	H49	90.4°	90.0°
C23	C24	O11	C32	45.4°	90.0°
C24	C25	C26	O12	122.1°	90.0°
C24	C25	C26	H49	119.1°	90.0°
C25	C24	C23	O10	171.5°	90.0°
C25	C24	O11	H48	119.9°	90.0°
C24	C25	O12	C21	33.6°	90.0°
C24	C25	O12	H49	119.7°	90.0°
C24	C25	C26	O13	56.1°	90.0°
C25	C24	C23	H43	53.0°	90.0°
C24	C25	C26	H50	64.2°	90.0°
C24	C25	C26	H51	176.3°	90.0°
C25	C24	O11	C32	76.4°	90.0°
C26	C25	C24	O11	87.6°	90.0°
C26	C25	O12	C21	88.4°	90.0°
C26	C25	O12	H49	118.3°	90.0°
C25	C26	O13	H50	120.2°	90.0°
C25	C26	O13	H51	120.3°	90.0°
C26	C25	C24	H48	32.8°	90.0°
C25	C26	H50	H51	119.2°	90.0°
C25	C26	O13	H52	21.9°	90.0°
C28	C27	O14	N7	179.8°	90.0°
C28	C27	N7	C22	179.9°	90.0°
C28	C27	N7	H39	0.1°	90.0°
C27	C28	H40	H41	120.0°	90.0°
C27	C28	H40	H42	120.0°	90.0°
C27	C28	H41	H42	120.0°	90.0°
C30	C29	C31	O10	172.1°	90.0°
C30	C29	C31	H44	93.9°	90.0°
C30	C29	O10	C23	90.4°	90.0°
C30	C29	O10	H44	93.9°	90.0°
C29	C30	O15	N1	173.2°	90.0°
C30	C29	C31	H45	180.0°	90.0°
C30	C29	C31	H46	60.0°	90.0°
C30	C29	C31	H47	60.0°	90.0°
C31	C29	O10	C23	97.3°	90.0°
C31	C29	O10	H44	93.9°	90.0°
C31	C29	C30	O15	7.2°	90.0°
C29	C31	H45	H46	120.0°	90.0°
C29	C31	H45	H47	120.0°	90.0°
C29	C31	H46	H47	120.0°	90.0°
C31	C29	C30	N1	179.2°	90.0°
O9	C21	O12	H37	120.2°	90.0°
O9	C21	O12	C25	170.9°	90.0°
O9	C21	C22	N7	27.9°	90.0°
O9	C21	C22	H38	91.8°	90.0°
C21	O9	P1	O21	15.9°	90.0°
C21	O9	P1	O22	147.3°	90.0°
C21	O9	P1	O23	98.8°	90.0°
O10	C23	C24	O11	48.3°	90.0°
O10	C23	C22	N7	81.0°	90.0°
O10	C23	C22	H38	38.6°	90.0°
C23	O10	C29	H44	3.5°	90.0°
O10	C23	C24	H48	70.7°	90.0°
O10	C29	C30	O15	164.8°	90.0°
C29	O10	C23	H43	167.4°	90.0°
O10	C29	C31	H45	7.9°	90.0°
O10	C29	C31	H46	127.9°	90.0°
O10	C29	C31	H47	112.1°	90.0°
O10	C29	C30	N1	8.7°	90.0°
O11	C24	C25	O12	151.8°	90.0°
O11	C24	C23	H43	70.2°	90.0°
O11	C24	C25	H49	31.6°	90.0°
C24	O11	C32	C33	173.0°	90.0°
C24	O11	C32	O18	50.8°	90.0°
C24	O11	C32	H53	69.1°	90.0°
O12	C21	C22	N7	91.2°	90.0°
O12	C21	C22	H38	149.1°	90.0°
C21	O12	C25	H49	153.4°	90.0°
O12	C21	O9	P1	126.2°	90.0°
O12	C25	C26	O13	178.2°	90.0°
C25	O12	C21	H37	50.7°	90.0°
O12	C25	C24	H48	87.8°	90.0°
O12	C25	C26	H50	57.9°	90.0°
O12	C25	C26	H51	61.6°	90.0°
O13	C26	C25	H49	63.0°	90.0°
O13	C26	H50	H51	119.2°	90.0°
O14	C27	N7	C22	0.0°	90.0°
O14	C27	N7	H39	180.0°	90.0°
O14	C27	C28	H40	0.0°	90.0°
O14	C27	C28	H41	120.0°	90.0°
O14	C27	C28	H42	120.0°	90.0°
O15	C30	C29	H44	101.1°	90.0°
C22	N7	C27	H39	180.0°	90.0°
N7	C22	C21	H37	148.5°	90.0°
N7	C22	C23	H43	36.8°	90.0°
C27	N7	C22	H38	152.3°	90.0°
N7	C27	C28	H40	179.9°	90.0°
N7	C27	C28	H41	60.1°	90.0°
N7	C27	C28	H42	59.9°	90.0°
H37	C21	C22	H38	28.7°	90.0°
H37	C21	O9	P1	6.6°	90.0°
H38	C22	N7	H39	27.7°	90.0°
H38	C22	C23	H43	156.4°	90.0°
H40	C28	H41	H42	120.0°	90.0°
H43	C23	C24	H48	170.8°	90.0°
H44	C29	C31	H45	86.1°	90.0°
H44	C29	C31	H46	33.9°	90.0°
H44	C29	C31	H47	153.9°	90.0°
H44	C29	C30	N1	85.3°	90.0°
H45	C31	H46	H47	120.0°	90.0°
H48	C24	C25	H49	151.9°	90.0°
H48	C24	O11	C32	163.7°	90.0°
H49	C25	C26	H50	176.7°	90.0°
H49	C25	C26	H51	57.2°	90.0°
H50	C26	O13	H52	142.1°	90.0°
H51	C26	O13	H52	98.4°	90.0°
C33	C32	O18	H53	119.1°	90.0°
C33	C32	O18	O11	121.1°	90.0°
C33	C32	H53	O11	118.4°	90.0°
C32	C33	C34	N8	121.8°	90.0°
C32	C33	C34	H54	118.4°	90.0°
C32	C33	N8	H54	119.1°	90.0°
C32	C33	C34	C35	52.7°	90.0°
C32	C33	C34	O16	173.3°	90.0°
C32	C33	C34	H55	66.4°	90.0°
C33	C32	O18	C36	64.8°	90.0°
C32	C33	N8	C38	61.8°	90.0°
C32	C33	N8	H63	118.2°	90.0°
O18	C32	H53	O11	120.7°	90.0°
O18	C32	C33	C34	59.9°	90.0°
O18	C32	C33	N8	177.9°	90.0°
O18	C32	C33	H54	58.5°	90.0°
C32	O18	C36	C35	60.9°	90.0°
C32	O18	C36	C37	176.4°	90.0°
C32	O18	C36	H57	58.1°	90.0°
H53	C32	C33	C34	59.8°	90.0°
H53	C32	C33	N8	62.4°	90.0°
H53	C32	C33	H54	178.1°	90.0°
H53	C32	O18	C36	54.3°	90.0°
C34	C33	N8	H54	119.4°	90.0°
C33	C34	C35	O16	119.8°	90.0°
C33	C34	C35	H55	119.3°	90.0°
C33	C34	O16	H55	119.5°	90.0°
C33	C34	C35	C36	50.8°	90.0°
C33	C34	C35	O17	171.5°	90.0°
C33	C34	C35	H56	68.6°	90.0°
C34	C33	N8	C38	59.7°	90.0°
C34	C33	N8	H63	120.3°	90.0°
C33	C34	O16	H64	180.0°	90.0°
C34	C33	C32	O11	178.2°	90.0°
N8	C33	C34	C35	174.5°	90.0°
N8	C33	C34	O16	64.9°	90.0°
N8	C33	C34	H55	55.4°	90.0°
C33	N8	C38	C39	179.3°	90.0°
C33	N8	C38	H63	180.0°	90.0°
C33	N8	C38	O20	7.6°	90.0°
N8	C33	C32	O11	56.0°	90.0°
H54	C33	C34	C35	65.7°	90.0°
H54	C33	C34	O16	54.9°	90.0°
H54	C33	C34	H55	175.2°	90.0°
H54	C33	N8	C38	179.0°	90.0°
H54	C33	N8	H63	1.0°	90.0°
H54	C33	C32	O11	63.4°	90.0°
C35	C34	O16	H55	119.9°	90.0°
C34	C35	C36	O17	120.6°	90.0°
C34	C35	C36	H56	119.3°	90.0°
C34	C35	O17	H56	119.0°	90.0°
C34	C35	C36	C37	174.6°	90.0°
C34	C35	C36	O18	54.1°	90.0°
C34	C35	C36	H57	65.7°	90.0°
C35	C34	O16	H64	59.3°	90.0°
C34	C35	O17	H65	180.0°	90.0°
O16	C34	C35	C36	170.6°	90.0°
O16	C34	C35	O17	68.7°	90.0°
O16	C34	C35	H56	51.2°	90.0°
H55	C34	C35	C36	68.5°	90.0°
H55	C34	C35	O17	52.2°	90.0°
H55	C34	C35	H56	172.1°	90.0°
H55	C34	O16	H64	60.6°	90.0°
C36	C35	O17	H56	119.1°	90.0°
C35	C36	C37	O18	121.2°	90.0°
C35	C36	C37	H57	119.7°	90.0°
C35	C36	O18	H57	119.0°	90.0°
C35	C36	C37	O19	179.3°	90.0°
C35	C36	C37	H58	60.4°	90.0°
C35	C36	C37	H59	59.0°	90.0°
C36	C35	O17	H65	58.0°	90.0°
O17	C35	C36	C37	64.7°	90.0°
O17	C35	C36	O18	174.8°	90.0°
O17	C35	C36	H57	55.0°	90.0°
H56	C35	C36	C37	55.3°	90.0°
H56	C35	C36	O18	65.2°	90.0°
H56	C35	C36	H57	175.0°	90.0°
H56	C35	O17	H65	61.1°	90.0°
C37	C36	O18	H57	118.3°	90.0°
C36	C37	O19	H58	120.3°	90.0°
C36	C37	O19	H59	120.3°	90.0°
C36	C37	H58	H59	119.1°	90.0°
C36	C37	O19	H66	13.6°	90.0°
O18	C36	C37	O19	58.1°	90.0°
O18	C36	C37	H58	178.4°	90.0°
O18	C36	C37	H59	62.3°	90.0°
C36	O18	C32	O11	174.1°	90.0°
H57	C36	C37	O19	61.0°	90.0°
H57	C36	C37	H58	59.3°	90.0°
H57	C36	C37	H59	178.7°	90.0°
O19	C37	H58	H59	119.1°	90.0°
H58	C37	O19	H66	106.7°	90.0°
H59	C37	O19	H66	133.9°	90.0°
C39	C38	N8	O20	173.1°	90.0°
C38	C39	H60	H61	120.0°	90.0°
C38	C39	H60	H62	120.0°	90.0°
C38	C39	H61	H62	120.0°	90.0°
C39	C38	N8	H63	0.7°	90.0°
N8	C38	C39	H60	173.3°	90.0°
N8	C38	C39	H61	66.7°	90.0°
N8	C38	C39	H62	53.3°	90.0°
O20	C38	C39	H60	0.0°	90.0°
O20	C38	C39	H61	120.0°	90.0°
O20	C38	C39	H62	120.0°	90.0°
O20	C38	N8	H63	172.4°	90.0°
H60	C39	H61	H62	120.0°	90.0°
O21	P1	O22	O23	121.5°	90.0°
O21	P1	O22	O9	128.4°	90.0°
O21	P1	O23	O9	117.6°	90.0°
O21	P1	O23	P2	173.1°	90.0°
O22	P1	O23	O9	115.0°	90.0°
O22	P1	O23	P2	59.5°	90.0°
P1	O23	P2	O24	171.1°	90.0°
P1	O23	P2	O25	40.2°	90.0°
P1	O23	P2	O26	74.0°	90.0°
O24	P2	O25	O26	124.6°	90.0°
O24	P2	O25	O23	124.5°	90.0°
O24	P2	O26	O23	114.7°	90.0°
O24	P2	O26	C40	115.2°	90.0°
O25	P2	O26	O23	114.4°	90.0°
O25	P2	O26	C40	15.7°	90.0°
P2	O26	C40	C41	119.0°	90.0°
P2	O26	C40	H67	121.1°	90.0°
P2	O26	C40	H68	0.8°	90.0°
C44	C42	C43	C41	179.0°	90.0°
C44	C42	C41	C40	0.4°	90.0°
C44	C42	C41	H69	179.6°	90.0°
C44	C42	C43	H70	22.1°	90.0°
C44	C42	C43	H71	141.2°	90.0°
C42	C44	H72	H73	120.0°	90.0°
C42	C44	H72	H74	120.0°	90.0°
C42	C44	H73	H74	120.0°	90.0°
C44	C42	C43	C45	98.3°	90.0°
C43	C42	C41	C40	179.3°	90.0°
C43	C42	C41	H69	0.7°	90.0°
C42	C43	H70	H71	118.5°	90.0°
C42	C43	H70	C45	123.0°	90.0°
C42	C43	H71	C45	123.0°	90.0°
C43	C42	C44	H72	180.0°	90.0°
C43	C42	C44	H73	60.0°	90.0°
C43	C42	C44	H74	60.0°	90.0°
C42	C43	C45	C46	116.8°	90.0°
C42	C43	C45	H75	3.3°	90.0°
C42	C43	C45	H76	123.2°	90.0°
C42	C41	C40	H69	180.0°	90.0°
C42	C41	C40	H67	59.5°	90.0°
C42	C41	C40	H68	179.7°	90.0°
C41	C42	C43	H70	156.8°	90.0°
C41	C42	C43	H71	37.8°	90.0°
C41	C42	C44	H72	1.1°	90.0°
C41	C42	C44	H73	119.0°	90.0°
C41	C42	C44	H74	121.1°	90.0°
C42	C41	C40	O26	60.4°	90.0°
C41	C42	C43	C45	82.7°	90.0°
C41	C40	H67	H68	120.3°	90.0°
C41	C40	H67	O26	119.4°	90.0°
C41	C40	H68	O26	119.4°	90.0°
H67	C40	H68	O26	120.3°	90.0°
H67	C40	C41	H69	120.5°	90.0°
H68	C40	C41	H69	0.3°	90.0°
H69	C41	C40	O26	119.6°	90.0°
H70	C43	H71	C45	118.5°	90.0°
H70	C43	C45	C46	3.7°	90.0°
H70	C43	C45	H75	123.8°	90.0°
H70	C43	C45	H76	116.3°	90.0°
H71	C43	C45	C46	122.7°	90.0°
H71	C43	C45	H75	117.2°	90.0°
H71	C43	C45	H76	2.7°	90.0°
H72	C44	H73	H74	120.0°	90.0°
C49	C47	C48	C46	178.3°	90.0°
C49	C47	C46	C45	3.3°	90.0°
C49	C47	C46	H77	176.7°	90.0°
C49	C47	C48	H78	38.6°	90.0°
C49	C47	C48	H79	158.1°	90.0°
C47	C49	H80	H81	120.0°	90.0°
C47	C49	H80	H82	120.0°	90.0°
C47	C49	H81	H82	120.0°	90.0°
C49	C47	C48	C50	81.7°	90.0°
C48	C47	C46	C45	178.5°	90.0°
C48	C47	C46	H77	1.5°	90.0°
C47	C48	H78	H79	119.1°	90.0°
C47	C48	H78	C50	121.7°	90.0°
C47	C48	H79	C50	121.7°	90.0°
C48	C47	C49	H80	180.0°	90.0°
C48	C47	C49	H81	60.0°	90.0°
C48	C47	C49	H82	60.0°	90.0°
C47	C48	C50	C51	92.2°	90.0°
C47	C48	C50	H83	147.5°	90.0°
C47	C48	C50	H84	28.0°	90.0°
C47	C46	C45	H77	180.0°	90.0°
C47	C46	C45	H75	102.4°	90.0°
C47	C46	C45	H76	17.5°	90.0°
C46	C47	C48	H78	139.7°	90.0°
C46	C47	C48	H79	20.2°	90.0°
C46	C47	C49	H80	1.7°	90.0°
C46	C47	C49	H81	118.3°	90.0°
C46	C47	C49	H82	121.7°	90.0°
C47	C46	C45	C43	137.5°	90.0°
C46	C47	C48	C50	100.0°	90.0°
C46	C45	H75	H76	119.9°	90.0°
C46	C45	H75	C43	120.3°	90.0°
C46	C45	H76	C43	120.3°	90.0°
H75	C45	H76	C43	119.8°	90.0°
H75	C45	C46	H77	77.6°	90.0°
H76	C45	C46	H77	162.5°	90.0°
H77	C46	C45	C43	42.4°	90.0°
H78	C48	H79	C50	119.1°	90.0°
H78	C48	C50	C51	147.5°	90.0°
H78	C48	C50	H83	27.2°	90.0°
H78	C48	C50	H84	92.3°	90.0°
H79	C48	C50	C51	28.0°	90.0°
H79	C48	C50	H83	92.2°	90.0°
H79	C48	C50	H84	148.3°	90.0°
H80	C49	H81	H82	119.9°	90.0°
C54	C52	C53	C51	179.9°	90.0°
C54	C52	C51	C50	0.9°	90.0°
C54	C52	C51	H85	179.1°	90.0°
C54	C52	C53	H86	180.0°	90.0°
C54	C52	C53	H87	60.0°	90.0°
C54	C52	C53	H88	60.0°	90.0°
C52	C54	H89	H90	120.0°	90.0°
C52	C54	H89	H91	120.0°	90.0°
C52	C54	H90	H91	120.0°	90.0°
C53	C52	C51	C50	179.2°	90.0°
C53	C52	C51	H85	0.8°	90.0°
C52	C53	H86	H87	120.0°	90.0°
C52	C53	H86	H88	120.0°	90.0°
C52	C53	H87	H88	120.0°	90.0°
C53	C52	C54	H89	180.0°	90.0°
C53	C52	C54	H90	60.0°	90.0°
C53	C52	C54	H91	60.0°	90.0°
C52	C51	C50	H85	180.0°	90.0°
C52	C51	C50	H83	7.3°	90.0°
C52	C51	C50	H84	112.2°	90.0°
C51	C52	C53	H86	0.2°	90.0°
C51	C52	C53	H87	119.9°	90.0°
C51	C52	C53	H88	120.1°	90.0°
C51	C52	C54	H89	0.2°	90.0°
C51	C52	C54	H90	120.1°	90.0°
C51	C52	C54	H91	119.8°	90.0°
C52	C51	C50	C48	127.6°	90.0°
C51	C50	H83	H84	119.2°	90.0°
C51	C50	H83	C48	121.5°	90.0°
C51	C50	H84	C48	121.5°	90.0°
H83	C50	H84	C48	119.2°	90.0°
H83	C50	C51	H85	172.7°	90.0°
H84	C50	C51	H85	67.8°	90.0°
H85	C51	C50	C48	52.4°	90.0°
H86	C53	H87	H88	120.0°	90.0°
H89	C54	H90	H91	120.0°	90.0°
O9	P1	O23	P2	55.5°	90.0°
O23	P2	O26	C40	130.1°	90.0°

Release date:	2020-08-19
Last modified:	2023-06-11
Processing site:	RCSB