PRD_001130

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
C1	C2	sing	0.00Å	1.52Å
C1	C3	sing	0.00Å	1.51Å
C1	H2	sing	0.00Å	1.10Å
C2	H3	sing	0.00Å	1.10Å
C2	H4	sing	0.00Å	1.10Å
C2	H5	sing	0.00Å	1.10Å
C3	O1	doub	0.00Å	1.24Å
N2	C4	sing	0.00Å	1.46Å
N2	C5	sing	0.00Å	1.46Å
C4	H6	sing	0.00Å	1.10Å
C4	H7	sing	0.00Å	1.10Å
C4	H8	sing	0.00Å	1.10Å
C5	C6	sing	0.00Å	1.53Å
C5	C10	sing	0.00Å	1.52Å
C5	H9	sing	0.00Å	1.10Å
C6	C7	sing	0.00Å	1.53Å
C6	H10	sing	0.00Å	1.10Å
C6	H11	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.52Å
C7	C9	sing	0.00Å	1.53Å
C7	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C8	H14	sing	0.00Å	1.10Å
C8	H15	sing	0.00Å	1.10Å
C9	H16	sing	0.00Å	1.10Å
C9	H17	sing	0.00Å	1.10Å
C9	H18	sing	0.00Å	1.10Å
C10	O2	doub	0.00Å	1.27Å
N3	C11	sing	0.00Å	1.46Å
N3	C12	sing	0.00Å	1.46Å
C11	H19	sing	0.00Å	1.10Å
C11	H20	sing	0.00Å	1.10Å
C11	H21	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.53Å
C12	C17	sing	0.00Å	1.51Å
C12	H22	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.52Å
C13	H23	sing	0.00Å	1.10Å
C13	H24	sing	0.00Å	1.10Å
C14	C15	sing	0.00Å	1.53Å
C14	C16	sing	0.00Å	1.52Å
C14	H25	sing	0.00Å	1.10Å
C15	H26	sing	0.00Å	1.10Å
C15	H27	sing	0.00Å	1.10Å
C15	H28	sing	0.00Å	1.10Å
C16	H29	sing	0.00Å	1.10Å
C16	H30	sing	0.00Å	1.10Å
C16	H31	sing	0.00Å	1.10Å
C17	O3	doub	0.00Å	1.27Å
N4	C18	sing	0.00Å	1.45Å
N4	C19	sing	0.00Å	1.46Å
C18	H32	sing	0.00Å	1.10Å
C18	H33	sing	0.00Å	1.10Å
C18	H34	sing	0.00Å	1.10Å
C19	C20	sing	0.00Å	1.53Å
C19	C23	sing	0.00Å	1.52Å
C19	H35	sing	0.00Å	1.10Å
C20	C21	sing	0.00Å	1.53Å
C20	C22	sing	0.00Å	1.52Å
C20	H36	sing	0.00Å	1.10Å
C21	H37	sing	0.00Å	1.10Å
C21	H38	sing	0.00Å	1.10Å
C21	H39	sing	0.00Å	1.10Å
C22	H40	sing	0.00Å	1.10Å
C22	H41	sing	0.00Å	1.10Å
C22	H42	sing	0.00Å	1.10Å
C23	O4	doub	0.00Å	1.27Å
N5	C24	sing	0.00Å	1.46Å
N5	C25	sing	0.00Å	1.46Å
C24	H43	sing	0.00Å	1.10Å
C24	H44	sing	0.00Å	1.10Å
C24	H45	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.52Å
C25	C27	sing	0.00Å	1.53Å
C25	H46	sing	0.00Å	1.10Å
C26	O5	doub	0.00Å	1.26Å
C27	O6	sing	0.00Å	1.44Å
C27	C28	sing	0.00Å	1.54Å
C27	H47	sing	0.00Å	1.10Å
O6	H48	sing	0.00Å	0.95Å
C28	C29	sing	0.00Å	1.53Å
C28	C30	sing	0.00Å	1.53Å
C28	H49	sing	0.00Å	1.10Å
C29	H50	sing	0.00Å	1.10Å
C29	H51	sing	0.00Å	1.10Å
C29	H52	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.51Å
C30	H53	sing	0.00Å	1.10Å
C30	H54	sing	0.00Å	1.10Å
C31	C32	doub	0.00Å	1.33Å
C31	H55	sing	0.00Å	1.08Å
C32	C33	sing	0.00Å	1.51Å
C32	H56	sing	0.00Å	1.08Å
C33	H57	sing	0.00Å	1.10Å
C33	H58	sing	0.00Å	1.10Å
C33	H59	sing	0.00Å	1.10Å
N6	C34	sing	0.00Å	1.48Å
N6	H60	sing	0.00Å	1.00Å
C34	C35	sing	0.00Å	1.50Å
C34	C36	sing	0.00Å	1.52Å
C34	H61	sing	0.00Å	1.10Å
C35	O7	doub	0.00Å	1.23Å
C36	C37	sing	0.00Å	1.52Å
C36	H62	sing	0.00Å	1.10Å
C36	H63	sing	0.00Å	1.10Å
C37	H64	sing	0.00Å	1.10Å
C37	H65	sing	0.00Å	1.10Å
C37	H66	sing	0.00Å	1.10Å
O10	C46	doub	0.00Å	1.25Å
C47	C48	doub	0.00Å	1.39Å	Aromatic
C47	C45	sing	0.00Å	1.39Å	Aromatic
C48	C42	sing	0.00Å	1.40Å	Aromatic
C46	C45	sing	0.00Å	1.39Å
C46	O9	sing	0.00Å	1.25Å
C45	C44	doub	0.00Å	1.39Å	Aromatic
C40	C39	sing	0.00Å	1.56Å
C40	O8	sing	0.00Å	1.26Å
C39	N7	sing	0.00Å	1.50Å
C39	C41	sing	0.00Å	1.55Å
C42	C41	sing	0.00Å	1.41Å
C42	C43	doub	0.00Å	1.40Å	Aromatic
N7	C38	sing	0.00Å	1.49Å
C44	C43	sing	0.00Å	1.39Å	Aromatic
C38	H67	sing	0.00Å	1.10Å
C38	H68	sing	0.00Å	1.10Å
C38	H69	sing	0.00Å	1.10Å
C39	H70	sing	0.00Å	1.10Å
C41	H71	sing	0.00Å	1.10Å
C41	H72	sing	0.00Å	1.10Å
C43	H73	sing	0.00Å	1.08Å
C44	H74	sing	0.00Å	1.08Å
O9	H75	sing	0.00Å	0.95Å
C47	H76	sing	0.00Å	1.08Å
C48	H77	sing	0.00Å	1.08Å
O8	H78	sing	0.00Å	0.95Å
N8	C49	sing	0.00Å	1.46Å
N8	C50	sing	0.00Å	1.46Å
C49	H79	sing	0.00Å	1.10Å
C49	H80	sing	0.00Å	1.10Å
C49	H81	sing	0.00Å	1.10Å
C50	C51	sing	0.00Å	1.53Å
C50	C55	sing	0.00Å	1.51Å
C50	H82	sing	0.00Å	1.10Å
C51	C52	sing	0.00Å	1.53Å
C51	H83	sing	0.00Å	1.10Å
C51	H84	sing	0.00Å	1.10Å
C52	C53	sing	0.00Å	1.52Å
C52	C54	sing	0.00Å	1.53Å
C52	H85	sing	0.00Å	1.10Å
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
C55	O11	doub	0.00Å	1.26Å
N9	C56	sing	0.00Å	1.50Å
N9	H92	sing	0.00Å	1.00Å
C56	C57	sing	0.00Å	1.54Å
C56	C58	sing	0.00Å	1.55Å
C56	H93	sing	0.00Å	1.10Å
C57	O12	doub	0.00Å	1.24Å
C58	C59	sing	0.00Å	1.52Å
C58	C60	sing	0.00Å	1.53Å
C58	H94	sing	0.00Å	1.10Å
C59	H95	sing	0.00Å	1.10Å
C59	H96	sing	0.00Å	1.10Å
C59	H97	sing	0.00Å	1.10Å
C60	H98	sing	0.00Å	1.10Å
C60	H99	sing	0.00Å	1.10Å
C60	H100	sing	0.00Å	1.10Å
N10	C61	sing	0.00Å	1.46Å
N10	C62	sing	0.00Å	1.46Å
C61	H101	sing	0.00Å	1.10Å
C61	H102	sing	0.00Å	1.10Å
C61	H103	sing	0.00Å	1.10Å
C62	C63	sing	0.00Å	1.53Å
C62	C67	sing	0.00Å	1.51Å
C62	H104	sing	0.00Å	1.10Å
C63	C64	sing	0.00Å	1.53Å
C63	H105	sing	0.00Å	1.10Å
C63	H106	sing	0.00Å	1.10Å
C64	C65	sing	0.00Å	1.52Å
C64	C66	sing	0.00Å	1.53Å
C64	H107	sing	0.00Å	1.10Å
C65	H108	sing	0.00Å	1.10Å
C65	H109	sing	0.00Å	1.10Å
C65	H110	sing	0.00Å	1.10Å
C66	H111	sing	0.00Å	1.10Å
C66	H112	sing	0.00Å	1.10Å
C66	H113	sing	0.00Å	1.10Å
C67	O13	doub	0.00Å	1.26Å
N11	C68	sing	0.00Å	1.49Å
N11	H114	sing	0.00Å	1.00Å
C68	C69	sing	0.00Å	1.53Å
C68	C70	sing	0.00Å	1.52Å
C68	H115	sing	0.00Å	1.10Å
C69	O14	doub	0.00Å	1.24Å
C70	H116	sing	0.00Å	1.10Å
C70	H117	sing	0.00Å	1.10Å
C70	H118	sing	0.00Å	1.10Å
N1	C69	sing	0.00Å	1.35Å
C3	N2	sing	0.00Å	1.36Å
C10	N3	sing	0.00Å	1.35Å
C17	N4	sing	0.00Å	1.36Å
C23	N5	sing	0.00Å	1.36Å
C26	N6	sing	0.00Å	1.34Å
C35	N7	sing	0.00Å	1.38Å
C40	N8	sing	0.00Å	1.36Å
C55	N9	sing	0.00Å	1.35Å
C57	N10	sing	0.00Å	1.35Å
C67	N11	sing	0.00Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	120.3°	90.0°
N1	C1	C2	110.5°	90.0°
N1	C1	C3	110.5°	90.0°
N1	C1	H2	108.7°	90.0°
C1	N1	C69	119.3°	90.0°
H1	N1	C69	120.3°	90.0°
C2	C1	C3	110.5°	90.0°
C2	C1	H2	108.2°	90.0°
C1	C2	H3	109.5°	90.0°
C1	C2	H4	109.5°	90.0°
C1	C2	H5	109.5°	90.0°
C3	C1	H2	108.4°	90.0°
C1	C3	O1	116.2°	90.0°
C1	C3	N2	123.4°	90.0°
H3	C2	H4	109.5°	90.0°
H3	C2	H5	109.5°	90.0°
H4	C2	H5	109.5°	90.0°
O1	C3	N2	120.0°	90.0°
C4	N2	C5	119.5°	90.0°
N2	C4	H6	109.5°	90.0°
N2	C4	H7	109.5°	90.0°
N2	C4	H8	109.4°	90.0°
C4	N2	C3	117.2°	90.0°
N2	C5	C6	108.6°	90.0°
N2	C5	C10	112.1°	90.0°
N2	C5	H9	108.6°	90.0°
C5	N2	C3	120.9°	90.0°
H6	C4	H7	109.4°	90.0°
H6	C4	H8	109.5°	90.0°
H7	C4	H8	109.5°	90.0°
C6	C5	C10	112.0°	90.0°
C6	C5	H9	107.6°	90.0°
C5	C6	C7	112.5°	90.0°
C5	C6	H10	108.7°	90.0°
C5	C6	H11	108.7°	90.0°
C10	C5	H9	107.8°	90.0°
C5	C10	O2	117.0°	90.0°
C5	C10	N3	126.2°	90.0°
C7	C6	H10	108.7°	90.0°
C7	C6	H11	108.7°	90.0°
C6	C7	C8	109.9°	90.0°
C6	C7	C9	113.0°	90.0°
C6	C7	H12	107.9°	90.0°
H10	C6	H11	109.4°	90.0°
C8	C7	C9	109.8°	90.0°
C8	C7	H12	108.0°	90.0°
C7	C8	H13	109.5°	90.0°
C7	C8	H14	109.5°	90.0°
C7	C8	H15	109.5°	90.0°
C9	C7	H12	108.0°	90.0°
C7	C9	H16	109.5°	90.0°
C7	C9	H17	109.5°	90.0°
C7	C9	H18	109.5°	90.0°
H13	C8	H14	109.4°	90.0°
H13	C8	H15	109.5°	90.0°
H14	C8	H15	109.4°	90.0°
H16	C9	H17	109.5°	90.0°
H16	C9	H18	109.4°	90.0°
H17	C9	H18	109.5°	90.0°
O2	C10	N3	116.3°	90.0°
C11	N3	C12	121.1°	90.0°
N3	C11	H19	109.5°	90.0°
N3	C11	H20	109.5°	90.0°
N3	C11	H21	109.5°	90.0°
C11	N3	C10	116.2°	90.0°
N3	C12	C13	113.0°	90.0°
N3	C12	C17	109.9°	90.0°
N3	C12	H22	108.3°	90.0°
C12	N3	C10	120.8°	90.0°
H19	C11	H20	109.5°	90.0°
H19	C11	H21	109.4°	90.0°
H20	C11	H21	109.5°	90.0°
C13	C12	C17	110.3°	90.0°
C13	C12	H22	107.4°	90.0°
C12	C13	C14	113.6°	90.0°
C12	C13	H23	108.4°	90.0°
C12	C13	H24	108.4°	90.0°
C17	C12	H22	107.7°	90.0°
C12	C17	O3	115.0°	90.0°
C12	C17	N4	126.4°	90.0°
C14	C13	H23	108.4°	90.0°
C14	C13	H24	108.4°	90.0°
C13	C14	C15	110.5°	90.0°
C13	C14	C16	111.5°	90.0°
C13	C14	H25	108.1°	90.0°
H23	C13	H24	109.5°	90.0°
C15	C14	C16	110.4°	90.0°
C15	C14	H25	108.1°	90.0°
C14	C15	H26	109.5°	90.0°
C14	C15	H27	109.5°	90.0°
C14	C15	H28	109.5°	90.0°
C16	C14	H25	108.1°	90.0°
C14	C16	H29	109.5°	90.0°
C14	C16	H30	109.5°	90.0°
C14	C16	H31	109.5°	90.0°
H26	C15	H27	109.4°	90.0°
H26	C15	H28	109.4°	90.0°
H27	C15	H28	109.5°	90.0°
H29	C16	H30	109.5°	90.0°
H29	C16	H31	109.5°	90.0°
H30	C16	H31	109.5°	90.0°
O3	C17	N4	118.5°	90.0°
C18	N4	C19	119.3°	90.0°
N4	C18	H32	109.5°	90.0°
N4	C18	H33	109.5°	90.0°
N4	C18	H34	109.5°	90.0°
C18	N4	C17	117.4°	90.0°
N4	C19	C20	111.5°	90.0°
N4	C19	C23	109.4°	90.0°
N4	C19	H35	108.0°	90.0°
C19	N4	C17	122.5°	90.0°
H32	C18	H33	109.5°	90.0°
H32	C18	H34	109.5°	90.0°
H33	C18	H34	109.5°	90.0°
C20	C19	C23	113.1°	90.0°
C20	C19	H35	107.2°	90.0°
C19	C20	C21	110.8°	90.0°
C19	C20	C22	110.4°	90.0°
C19	C20	H36	108.2°	90.0°
C23	C19	H35	107.3°	90.0°
C19	C23	O4	117.6°	90.0°
C19	C23	N5	120.1°	90.0°
C21	C20	C22	110.8°	90.0°
C21	C20	H36	108.2°	90.0°
C20	C21	H37	109.5°	90.0°
C20	C21	H38	109.5°	90.0°
C20	C21	H39	109.5°	90.0°
C22	C20	H36	108.3°	90.0°
C20	C22	H40	109.5°	90.0°
C20	C22	H41	109.5°	90.0°
C20	C22	H42	109.5°	90.0°
H37	C21	H38	109.4°	90.0°
H37	C21	H39	109.5°	90.0°
H38	C21	H39	109.5°	90.0°
H40	C22	H41	109.5°	90.0°
H40	C22	H42	109.4°	90.0°
H41	C22	H42	109.4°	90.0°
O4	C23	N5	121.6°	90.0°
C24	N5	C25	120.9°	90.0°
N5	C24	H43	109.5°	90.0°
N5	C24	H44	109.5°	90.0°
N5	C24	H45	109.5°	90.0°
C24	N5	C23	117.0°	90.0°
N5	C25	C26	113.9°	90.0°
N5	C25	C27	111.2°	90.0°
N5	C25	H46	107.6°	90.0°
C25	N5	C23	116.5°	90.0°
H43	C24	H44	109.5°	90.0°
H43	C24	H45	109.5°	90.0°
H44	C24	H45	109.5°	90.0°
C26	C25	C27	110.1°	90.0°
C26	C25	H46	106.9°	90.0°
C25	C26	O5	120.7°	90.0°
C25	C26	N6	116.8°	90.0°
C27	C25	H46	106.7°	90.0°
C25	C27	O6	109.1°	90.0°
C25	C27	C28	113.2°	90.0°
C25	C27	H47	107.6°	90.0°
O5	C26	N6	121.9°	90.0°
O6	C27	C28	110.2°	90.0°
O6	C27	H47	108.9°	90.0°
C27	O6	H48	109.5°	90.0°
C28	C27	H47	107.6°	90.0°
C27	C28	C29	111.7°	90.0°
C27	C28	C30	112.2°	90.0°
C27	C28	H49	107.5°	90.0°
C29	C28	C30	110.1°	90.0°
C29	C28	H49	107.6°	90.0°
C28	C29	H50	109.5°	90.0°
C28	C29	H51	109.5°	90.0°
C28	C29	H52	109.5°	90.0°
C30	C28	H49	107.6°	90.0°
C28	C30	C31	110.9°	90.0°
C28	C30	H53	109.1°	90.0°
C28	C30	H54	109.1°	90.0°
H50	C29	H51	109.5°	90.0°
H50	C29	H52	109.5°	90.0°
H51	C29	H52	109.5°	90.0°
C31	C30	H53	109.1°	90.0°
C31	C30	H54	109.1°	90.0°
C30	C31	C32	120.9°	90.0°
C30	C31	H55	119.6°	90.0°
H53	C30	H54	109.5°	90.0°
C32	C31	H55	119.5°	90.0°
C31	C32	C33	119.6°	90.0°
C31	C32	H56	120.3°	90.0°
C33	C32	H56	120.2°	90.0°
C32	C33	H57	109.5°	90.0°
C32	C33	H58	109.5°	90.0°
C32	C33	H59	109.5°	90.0°
H57	C33	H58	109.5°	90.0°
H57	C33	H59	109.4°	90.0°
H58	C33	H59	109.5°	90.0°
C34	N6	H60	116.0°	90.0°
N6	C34	C35	107.2°	90.0°
N6	C34	C36	110.2°	90.0°
N6	C34	H61	109.7°	90.0°
C34	N6	C26	128.0°	90.0°
H60	N6	C26	116.0°	90.0°
C35	C34	C36	111.0°	90.0°
C35	C34	H61	109.5°	90.0°
C34	C35	O7	116.8°	90.0°
C34	C35	N7	124.3°	90.0°
C36	C34	H61	109.2°	90.0°
C34	C36	C37	111.0°	90.0°
C34	C36	H62	109.1°	90.0°
C34	C36	H63	109.1°	90.0°
O7	C35	N7	116.7°	90.0°
C37	C36	H62	109.1°	90.0°
C37	C36	H63	109.1°	90.0°
C36	C37	H64	109.5°	90.0°
C36	C37	H65	109.5°	90.0°
C36	C37	H66	109.5°	90.0°
H62	C36	H63	109.5°	90.0°
H64	C37	H65	109.4°	90.0°
H64	C37	H66	109.5°	90.0°
H65	C37	H66	109.5°	90.0°
O10	C46	C45	119.4°	90.0°
O10	C46	O9	120.0°	90.0°
C48	C47	C45	120.2°	90.0°
C47	C48	C42	120.3°	90.0°
C48	C47	H76	119.9°	90.0°
C47	C48	H77	119.8°	90.0°
C47	C45	C46	120.0°	90.0°
C47	C45	C44	119.8°	90.0°
C45	C47	H76	119.9°	90.0°
C48	C42	C41	121.8°	90.0°
C48	C42	C43	119.2°	90.0°
C42	C48	H77	119.8°	90.0°
C45	C46	O9	120.6°	90.0°
C46	C45	C44	120.2°	90.0°
C46	O9	H75	109.5°	90.0°
C45	C44	C43	120.1°	90.0°
C45	C44	H74	120.0°	90.0°
C39	C40	O8	114.7°	90.0°
C40	C39	N7	110.4°	90.0°
C40	C39	C41	111.6°	90.0°
C40	C39	H70	107.2°	90.0°
C39	C40	N8	124.9°	90.0°
C40	O8	H78	109.5°	90.0°
O8	C40	N8	120.2°	90.0°
N7	C39	C41	112.3°	90.0°
C39	N7	C38	125.1°	90.0°
N7	C39	H70	107.9°	90.0°
C39	N7	C35	113.9°	90.0°
C39	C41	C42	113.0°	90.0°
C41	C39	H70	107.2°	90.0°
C39	C41	H71	108.6°	90.0°
C39	C41	H72	108.6°	90.0°
C41	C42	C43	119.0°	90.0°
C42	C41	H71	108.6°	90.0°
C42	C41	H72	108.6°	90.0°
C42	C43	C44	120.5°	90.0°
C42	C43	H73	119.8°	90.0°
N7	C38	H67	109.5°	90.0°
N7	C38	H68	109.5°	90.0°
N7	C38	H69	109.5°	90.0°
C38	N7	C35	119.5°	90.0°
C44	C43	H73	119.8°	90.0°
C43	C44	H74	120.0°	90.0°
H67	C38	H68	109.4°	90.0°
H67	C38	H69	109.5°	90.0°
H68	C38	H69	109.5°	90.0°
H71	C41	H72	109.5°	90.0°
C49	N8	C50	120.0°	90.0°
N8	C49	H79	109.5°	90.0°
N8	C49	H80	109.5°	90.0°
N8	C49	H81	109.5°	90.0°
C49	N8	C40	116.1°	90.0°
N8	C50	C51	110.8°	90.0°
N8	C50	C55	112.4°	90.0°
N8	C50	H82	108.4°	90.0°
C50	N8	C40	117.0°	90.0°
H79	C49	H80	109.5°	90.0°
H79	C49	H81	109.5°	90.0°
H80	C49	H81	109.5°	90.0°
C51	C50	C55	109.5°	90.0°
C51	C50	H82	107.6°	90.0°
C50	C51	C52	112.8°	90.0°
C50	C51	H83	108.6°	90.0°
C50	C51	H84	108.6°	90.0°
C55	C50	H82	107.9°	90.0°
C50	C55	O11	116.2°	90.0°
C50	C55	N9	120.0°	90.0°
C52	C51	H83	108.6°	90.0°
C52	C51	H84	108.6°	90.0°
C51	C52	C53	109.3°	90.0°
C51	C52	C54	111.2°	90.0°
C51	C52	H85	107.9°	90.0°
H83	C51	H84	109.5°	90.0°
C53	C52	C54	112.2°	90.0°
C53	C52	H85	108.0°	90.0°
C52	C53	H86	109.5°	90.0°
C52	C53	H87	109.4°	90.0°
C52	C53	H88	109.5°	90.0°
C54	C52	H85	107.9°	90.0°
C52	C54	H89	109.5°	90.0°
C52	C54	H90	109.4°	90.0°
C52	C54	H91	109.5°	90.0°
H86	C53	H87	109.5°	90.0°
H86	C53	H88	109.5°	90.0°
H87	C53	H88	109.5°	90.0°
H89	C54	H90	109.5°	90.0°
H89	C54	H91	109.5°	90.0°
H90	C54	H91	109.5°	90.0°
O11	C55	N9	123.7°	90.0°
C56	N9	H92	121.2°	90.0°
N9	C56	C57	110.9°	90.0°
N9	C56	C58	113.0°	90.0°
N9	C56	H93	107.9°	90.0°
C56	N9	C55	117.7°	90.0°
H92	N9	C55	121.1°	90.0°
C57	C56	C58	110.1°	90.0°
C57	C56	H93	107.4°	90.0°
C56	C57	O12	117.7°	90.0°
C56	C57	N10	126.4°	90.0°
C58	C56	H93	107.3°	90.0°
C56	C58	C59	110.5°	90.0°
C56	C58	C60	112.1°	90.0°
C56	C58	H94	107.5°	90.0°
O12	C57	N10	114.8°	90.0°
C59	C58	C60	111.0°	90.0°
C59	C58	H94	107.8°	90.0°
C58	C59	H95	109.5°	90.0°
C58	C59	H96	109.5°	90.0°
C58	C59	H97	109.5°	90.0°
C60	C58	H94	107.8°	90.0°
C58	C60	H98	109.5°	90.0°
C58	C60	H99	109.5°	90.0°
C58	C60	H100	109.4°	90.0°
H95	C59	H96	109.4°	90.0°
H95	C59	H97	109.5°	90.0°
H96	C59	H97	109.5°	90.0°
H98	C60	H99	109.4°	90.0°
H98	C60	H100	109.5°	90.0°
H99	C60	H100	109.5°	90.0°
C61	N10	C62	120.9°	90.0°
N10	C61	H101	109.5°	90.0°
N10	C61	H102	109.5°	90.0°
N10	C61	H103	109.5°	90.0°
C61	N10	C57	109.9°	90.0°
N10	C62	C63	109.1°	90.0°
N10	C62	C67	113.5°	90.0°
N10	C62	H104	108.4°	90.0°
C62	N10	C57	122.5°	90.0°
H101	C61	H102	109.5°	90.0°
H101	C61	H103	109.5°	90.0°
H102	C61	H103	109.5°	90.0°
C63	C62	C67	110.5°	90.0°
C63	C62	H104	107.5°	90.0°
C62	C63	C64	112.7°	90.0°
C62	C63	H105	108.7°	90.0°
C62	C63	H106	108.7°	90.0°
C67	C62	H104	107.7°	90.0°
C62	C67	O13	117.9°	90.0°
C62	C67	N11	123.5°	90.0°
C64	C63	H105	108.7°	90.0°
C64	C63	H106	108.7°	90.0°
C63	C64	C65	111.0°	90.0°
C63	C64	C66	111.4°	90.0°
C63	C64	H107	107.9°	90.0°
H105	C63	H106	109.4°	90.0°
C65	C64	C66	110.7°	90.0°
C65	C64	H107	107.9°	90.0°
C64	C65	H108	109.5°	90.0°
C64	C65	H109	109.5°	90.0°
C64	C65	H110	109.5°	90.0°
C66	C64	H107	107.8°	90.0°
C64	C66	H111	109.5°	90.0°
C64	C66	H112	109.5°	90.0°
C64	C66	H113	109.4°	90.0°
H108	C65	H109	109.5°	90.0°
H108	C65	H110	109.4°	90.0°
H109	C65	H110	109.5°	90.0°
H111	C66	H112	109.4°	90.0°
H111	C66	H113	109.5°	90.0°
H112	C66	H113	109.5°	90.0°
O13	C67	N11	118.4°	90.0°
C68	N11	H114	115.7°	90.0°
N11	C68	C69	109.6°	90.0°
N11	C68	C70	110.3°	90.0°
N11	C68	H115	109.1°	90.0°
C68	N11	C67	128.5°	90.0°
H114	N11	C67	115.8°	90.0°
C69	C68	C70	110.8°	90.0°
C69	C68	H115	108.5°	90.0°
C68	C69	O14	118.3°	90.0°
C68	C69	N1	118.8°	90.0°
C70	C68	H115	108.6°	90.0°
C68	C70	H116	109.5°	90.0°
C68	C70	H117	109.5°	90.0°
C68	C70	H118	109.5°	90.0°
O14	C69	N1	122.7°	90.0°
H116	C70	H117	109.5°	90.0°
H116	C70	H118	109.5°	90.0°
H117	C70	H118	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C69	180.0°	90.0°
N1	C1	C2	C3	122.6°	90.0°
N1	C1	C2	H2	118.9°	90.0°
N1	C1	C3	H2	118.9°	90.0°
N1	C1	C2	H3	180.0°	90.0°
N1	C1	C2	H4	60.0°	90.0°
N1	C1	C2	H5	60.0°	90.0°
N1	C1	C3	O1	25.1°	90.0°
C1	N1	C69	C68	171.3°	90.0°
C1	N1	C69	O14	14.0°	90.0°
N1	C1	C3	N2	147.3°	90.0°
H1	N1	C1	C2	22.6°	90.0°
H1	N1	C1	C3	100.0°	90.0°
H1	N1	C1	H2	141.2°	90.0°
H1	N1	C69	C68	8.7°	90.0°
H1	N1	C69	O14	166.1°	90.0°
C2	C1	C3	H2	118.4°	90.0°
C1	C2	H3	H4	120.0°	90.0°
C1	C2	H3	H5	120.0°	90.0°
C1	C2	H4	H5	120.0°	90.0°
C2	C1	C3	O1	97.5°	90.0°
C2	C1	N1	C69	157.4°	90.0°
C2	C1	C3	N2	90.1°	90.0°
C3	C1	C2	H3	57.4°	90.0°
C3	C1	C2	H4	62.6°	90.0°
C3	C1	C2	H5	177.4°	90.0°
C1	C3	O1	N2	172.7°	90.0°
C1	C3	N2	C4	10.5°	90.0°
C1	C3	N2	C5	172.7°	90.0°
C3	C1	N1	C69	80.0°	90.0°
H2	C1	C2	H3	61.1°	90.0°
H2	C1	C2	H4	178.9°	90.0°
H2	C1	C2	H5	58.9°	90.0°
H2	C1	C3	O1	144.0°	90.0°
H2	C1	N1	C69	38.8°	90.0°
H2	C1	C3	N2	28.4°	90.0°
H3	C2	H4	H5	120.0°	90.0°
O1	C3	N2	C4	161.6°	90.0°
O1	C3	N2	C5	0.5°	90.0°
C4	N2	C5	C3	161.7°	90.0°
N2	C4	H6	H7	120.0°	90.0°
N2	C4	H6	H8	120.0°	90.0°
N2	C4	H7	H8	120.0°	90.0°
C4	N2	C5	C6	78.2°	90.0°
C4	N2	C5	C10	46.1°	90.0°
C4	N2	C5	H9	165.0°	90.0°
C5	N2	C4	H6	180.0°	90.0°
C5	N2	C4	H7	60.0°	90.0°
C5	N2	C4	H8	60.0°	90.0°
N2	C5	C6	C10	124.3°	90.0°
N2	C5	C6	H9	117.4°	90.0°
N2	C5	C10	H9	119.4°	90.0°
N2	C5	C6	C7	62.6°	90.0°
N2	C5	C6	H10	57.9°	90.0°
N2	C5	C6	H11	177.0°	90.0°
N2	C5	C10	O2	87.5°	90.0°
N2	C5	C10	N3	83.5°	90.0°
H6	C4	H7	H8	120.0°	90.0°
H6	C4	N2	C3	17.6°	90.0°
H7	C4	N2	C3	102.4°	90.0°
H8	C4	N2	C3	137.6°	90.0°
C6	C5	C10	H9	118.2°	90.0°
C5	C6	C7	H10	120.5°	90.0°
C5	C6	C7	H11	120.5°	90.0°
C5	C6	H10	H11	118.6°	90.0°
C5	C6	C7	C8	179.3°	90.0°
C5	C6	C7	C9	57.6°	90.0°
C5	C6	C7	H12	61.7°	90.0°
C6	C5	C10	O2	34.9°	90.0°
C6	C5	N2	C3	120.0°	90.0°
C6	C5	C10	N3	154.1°	90.0°
C10	C5	C6	C7	173.1°	90.0°
C10	C5	C6	H10	66.4°	90.0°
C10	C5	C6	H11	52.6°	90.0°
C5	C10	O2	N3	171.9°	90.0°
C5	C10	N3	C11	4.7°	90.0°
C5	C10	N3	C12	169.2°	90.0°
C10	C5	N2	C3	115.7°	90.0°
H9	C5	C6	C7	54.8°	90.0°
H9	C5	C6	H10	175.3°	90.0°
H9	C5	C6	H11	65.6°	90.0°
H9	C5	C10	O2	153.1°	90.0°
H9	C5	N2	C3	3.3°	90.0°
H9	C5	C10	N3	35.9°	90.0°
C7	C6	H10	H11	118.6°	90.0°
C6	C7	C8	C9	124.9°	90.0°
C6	C7	C8	H12	117.5°	90.0°
C6	C7	C9	H12	119.3°	90.0°
C6	C7	C8	H13	180.0°	90.0°
C6	C7	C8	H14	60.0°	90.0°
C6	C7	C8	H15	60.0°	90.0°
C6	C7	C9	H16	180.0°	90.0°
C6	C7	C9	H17	60.0°	90.0°
C6	C7	C9	H18	60.0°	90.0°
H10	C6	C7	C8	58.8°	90.0°
H10	C6	C7	C9	178.1°	90.0°
H10	C6	C7	H12	58.8°	90.0°
H11	C6	C7	C8	60.2°	90.0°
H11	C6	C7	C9	62.9°	90.0°
H11	C6	C7	H12	177.8°	90.0°
C8	C7	C9	H12	117.5°	90.0°
C7	C8	H13	H14	120.0°	90.0°
C7	C8	H13	H15	120.0°	90.0°
C7	C8	H14	H15	120.0°	90.0°
C8	C7	C9	H16	56.9°	90.0°
C8	C7	C9	H17	63.1°	90.0°
C8	C7	C9	H18	176.8°	90.0°
C9	C7	C8	H13	55.1°	90.0°
C9	C7	C8	H14	175.1°	90.0°
C9	C7	C8	H15	65.0°	90.0°
C7	C9	H16	H17	120.0°	90.0°
C7	C9	H16	H18	120.0°	90.0°
C7	C9	H17	H18	120.0°	90.0°
H12	C7	C8	H13	62.4°	90.0°
H12	C7	C8	H14	57.6°	90.0°
H12	C7	C8	H15	177.5°	90.0°
H12	C7	C9	H16	60.7°	90.0°
H12	C7	C9	H17	179.3°	90.0°
H12	C7	C9	H18	59.3°	90.0°
H13	C8	H14	H15	120.0°	90.0°
H16	C9	H17	H18	119.9°	90.0°
O2	C10	N3	C11	166.4°	90.0°
O2	C10	N3	C12	1.9°	90.0°
C11	N3	C12	C10	163.8°	90.0°
N3	C11	H19	H20	120.0°	90.0°
N3	C11	H19	H21	120.0°	90.0°
N3	C11	H20	H21	120.0°	90.0°
C11	N3	C12	C13	39.5°	90.0°
C11	N3	C12	C17	84.2°	90.0°
C11	N3	C12	H22	158.4°	90.0°
C12	N3	C11	H19	180.0°	90.0°
C12	N3	C11	H20	60.0°	90.0°
C12	N3	C11	H21	60.0°	90.0°
N3	C12	C13	C17	123.4°	90.0°
N3	C12	C13	H22	119.4°	90.0°
N3	C12	C17	H22	117.8°	90.0°
N3	C12	C13	C14	59.2°	90.0°
N3	C12	C13	H23	61.5°	90.0°
N3	C12	C13	H24	179.8°	90.0°
N3	C12	C17	O3	12.7°	90.0°
N3	C12	C17	N4	165.0°	90.0°
H19	C11	H20	H21	120.0°	90.0°
H19	C11	N3	C10	15.6°	90.0°
H20	C11	N3	C10	135.6°	90.0°
H21	C11	N3	C10	104.4°	90.0°
C13	C12	C17	H22	117.0°	90.0°
C12	C13	C14	H23	120.6°	90.0°
C12	C13	C14	H24	120.6°	90.0°
C12	C13	H23	H24	118.1°	90.0°
C12	C13	C14	C15	174.7°	90.0°
C12	C13	C14	C16	62.1°	90.0°
C12	C13	C14	H25	56.6°	90.0°
C13	C12	C17	O3	112.5°	90.0°
C13	C12	N3	C10	124.3°	90.0°
C13	C12	C17	N4	69.8°	90.0°
C17	C12	C13	C14	177.4°	90.0°
C17	C12	C13	H23	61.9°	90.0°
C17	C12	C13	H24	56.8°	90.0°
C12	C17	O3	N4	177.8°	90.0°
C12	C17	N4	C18	18.0°	90.0°
C12	C17	N4	C19	171.9°	90.0°
C17	C12	N3	C10	112.0°	90.0°
H22	C12	C13	C14	60.3°	90.0°
H22	C12	C13	H23	179.1°	90.0°
H22	C12	C13	H24	60.3°	90.0°
H22	C12	C17	O3	130.5°	90.0°
H22	C12	N3	C10	5.4°	90.0°
H22	C12	C17	N4	47.2°	90.0°
C14	C13	H23	H24	118.1°	90.0°
C13	C14	C15	C16	123.9°	90.0°
C13	C14	C15	H25	118.1°	90.0°
C13	C14	C16	H25	118.7°	90.0°
C13	C14	C15	H26	180.0°	90.0°
C13	C14	C15	H27	60.0°	90.0°
C13	C14	C15	H28	60.0°	90.0°
C13	C14	C16	H29	180.0°	90.0°
C13	C14	C16	H30	60.0°	90.0°
C13	C14	C16	H31	60.0°	90.0°
H23	C13	C14	C15	54.0°	90.0°
H23	C13	C14	C16	177.3°	90.0°
H23	C13	C14	H25	64.1°	90.0°
H24	C13	C14	C15	64.7°	90.0°
H24	C13	C14	C16	58.5°	90.0°
H24	C13	C14	H25	177.2°	90.0°
C15	C14	C16	H25	118.0°	90.0°
C14	C15	H26	H27	120.0°	90.0°
C14	C15	H26	H28	120.0°	90.0°
C14	C15	H27	H28	120.0°	90.0°
C15	C14	C16	H29	56.7°	90.0°
C15	C14	C16	H30	63.3°	90.0°
C15	C14	C16	H31	176.7°	90.0°
C16	C14	C15	H26	56.1°	90.0°
C16	C14	C15	H27	176.1°	90.0°
C16	C14	C15	H28	63.8°	90.0°
C14	C16	H29	H30	120.0°	90.0°
C14	C16	H29	H31	120.0°	90.0°
C14	C16	H30	H31	120.0°	90.0°
H25	C14	C15	H26	61.9°	90.0°
H25	C14	C15	H27	58.1°	90.0°
H25	C14	C15	H28	178.1°	90.0°
H25	C14	C16	H29	61.3°	90.0°
H25	C14	C16	H30	178.7°	90.0°
H25	C14	C16	H31	58.7°	90.0°
H26	C15	H27	H28	120.0°	90.0°
H29	C16	H30	H31	120.0°	90.0°
O3	C17	N4	C18	159.6°	90.0°
O3	C17	N4	C19	10.5°	90.0°
C18	N4	C19	C17	169.9°	90.0°
N4	C18	H32	H33	120.0°	90.0°
N4	C18	H32	H34	120.0°	90.0°
N4	C18	H33	H34	120.0°	90.0°
C18	N4	C19	C20	56.2°	90.0°
C18	N4	C19	C23	69.8°	90.0°
C18	N4	C19	H35	173.7°	90.0°
C19	N4	C18	H32	180.0°	90.0°
C19	N4	C18	H33	60.0°	90.0°
C19	N4	C18	H34	60.0°	90.0°
N4	C19	C20	C23	123.8°	90.0°
N4	C19	C20	H35	118.1°	90.0°
N4	C19	C23	H35	117.0°	90.0°
N4	C19	C20	C21	45.3°	90.0°
N4	C19	C20	C22	168.5°	90.0°
N4	C19	C20	H36	73.2°	90.0°
N4	C19	C23	O4	99.4°	90.0°
N4	C19	C23	N5	70.8°	90.0°
H32	C18	H33	H34	120.0°	90.0°
H32	C18	N4	C17	9.6°	90.0°
H33	C18	N4	C17	129.6°	90.0°
H34	C18	N4	C17	110.4°	90.0°
C20	C19	C23	H35	118.0°	90.0°
C19	C20	C21	C22	123.0°	90.0°
C19	C20	C21	H36	118.5°	90.0°
C19	C20	C22	H36	118.3°	90.0°
C19	C20	C21	H37	180.0°	90.0°
C19	C20	C21	H38	60.0°	90.0°
C19	C20	C21	H39	60.0°	90.0°
C19	C20	C22	H40	180.0°	90.0°
C19	C20	C22	H41	60.0°	90.0°
C19	C20	C22	H42	60.0°	90.0°
C20	C19	C23	O4	25.6°	90.0°
C20	C19	N4	C17	113.7°	90.0°
C20	C19	C23	N5	164.2°	90.0°
C23	C19	C20	C21	169.2°	90.0°
C23	C19	C20	C22	67.7°	90.0°
C23	C19	C20	H36	50.7°	90.0°
C19	C23	O4	N5	170.1°	90.0°
C19	C23	N5	C24	28.5°	90.0°
C19	C23	N5	C25	177.5°	90.0°
C23	C19	N4	C17	120.3°	90.0°
H35	C19	C20	C21	72.7°	90.0°
H35	C19	C20	C22	50.4°	90.0°
H35	C19	C20	H36	168.8°	90.0°
H35	C19	C23	O4	143.6°	90.0°
H35	C19	N4	C17	3.8°	90.0°
H35	C19	C23	N5	46.2°	90.0°
C21	C20	C22	H36	118.5°	90.0°
C20	C21	H37	H38	120.0°	90.0°
C20	C21	H37	H39	120.0°	90.0°
C20	C21	H38	H39	120.0°	90.0°
C21	C20	C22	H40	56.8°	90.0°
C21	C20	C22	H41	176.9°	90.0°
C21	C20	C22	H42	63.2°	90.0°
C22	C20	C21	H37	57.0°	90.0°
C22	C20	C21	H38	63.0°	90.0°
C22	C20	C21	H39	177.0°	90.0°
C20	C22	H40	H41	120.0°	90.0°
C20	C22	H40	H42	120.0°	90.0°
C20	C22	H41	H42	120.0°	90.0°
H36	C20	C21	H37	61.5°	90.0°
H36	C20	C21	H38	178.5°	90.0°
H36	C20	C21	H39	58.5°	90.0°
H36	C20	C22	H40	61.7°	90.0°
H36	C20	C22	H41	58.4°	90.0°
H36	C20	C22	H42	178.3°	90.0°
H37	C21	H38	H39	120.0°	90.0°
H40	C22	H41	H42	120.0°	90.0°
O4	C23	N5	C24	161.7°	90.0°
O4	C23	N5	C25	7.7°	90.0°
C24	N5	C25	C23	152.9°	90.0°
N5	C24	H43	H44	120.0°	90.0°
N5	C24	H43	H45	120.0°	90.0°
N5	C24	H44	H45	120.0°	90.0°
C24	N5	C25	C26	52.6°	90.0°
C24	N5	C25	C27	72.5°	90.0°
C24	N5	C25	H46	171.0°	90.0°
C25	N5	C24	H43	180.0°	90.0°
C25	N5	C24	H44	60.0°	90.0°
C25	N5	C24	H45	60.0°	90.0°
N5	C25	C26	C27	125.7°	90.0°
N5	C25	C26	H46	118.7°	90.0°
N5	C25	C27	H46	117.1°	90.0°
N5	C25	C26	O5	5.9°	90.0°
N5	C25	C27	O6	74.2°	90.0°
N5	C25	C27	C28	49.0°	90.0°
N5	C25	C27	H47	167.8°	90.0°
N5	C25	C26	N6	165.2°	90.0°
H43	C24	H44	H45	120.0°	90.0°
H43	C24	N5	C23	27.2°	90.0°
H44	C24	N5	C23	92.8°	90.0°
H45	C24	N5	C23	147.3°	90.0°
C26	C25	C27	H46	115.7°	90.0°
C25	C26	O5	N6	170.6°	90.0°
C26	C25	C27	O6	52.9°	90.0°
C26	C25	C27	C28	176.1°	90.0°
C26	C25	C27	H47	65.1°	90.0°
C25	C26	N6	C34	174.7°	90.0°
C25	C26	N6	H60	5.3°	90.0°
C26	C25	N5	C23	100.3°	90.0°
C27	C25	C26	O5	119.7°	90.0°
C25	C27	O6	C28	125.0°	90.0°
C25	C27	O6	H47	117.2°	90.0°
C25	C27	C28	H47	118.8°	90.0°
C25	C27	O6	H48	171.8°	90.0°
C25	C27	C28	C29	59.6°	90.0°
C25	C27	C28	C30	176.3°	90.0°
C25	C27	C28	H49	58.3°	90.0°
C27	C25	N5	C23	134.6°	90.0°
C27	C25	C26	N6	69.2°	90.0°
H46	C25	C26	O5	124.7°	90.0°
H46	C25	C27	O6	168.6°	90.0°
H46	C25	C27	C28	68.2°	90.0°
H46	C25	C27	H47	50.7°	90.0°
H46	C25	N5	C23	18.0°	90.0°
H46	C25	C26	N6	46.4°	90.0°
O5	C26	N6	C34	3.7°	90.0°
O5	C26	N6	H60	176.3°	90.0°
O6	C27	C28	H47	118.6°	90.0°
O6	C27	C28	C29	177.9°	90.0°
O6	C27	C28	C30	53.7°	90.0°
O6	C27	C28	H49	64.3°	90.0°
C28	C27	O6	H48	63.3°	90.0°
C27	C28	C29	C30	125.3°	90.0°
C27	C28	C29	H49	117.7°	90.0°
C27	C28	C30	H49	118.0°	90.0°
C27	C28	C29	H50	180.0°	90.0°
C27	C28	C29	H51	60.0°	90.0°
C27	C28	C29	H52	60.0°	90.0°
C27	C28	C30	C31	55.1°	90.0°
C27	C28	C30	H53	175.3°	90.0°
C27	C28	C30	H54	65.1°	90.0°
H47	C27	O6	H48	54.6°	90.0°
H47	C27	C28	C29	59.3°	90.0°
H47	C27	C28	C30	64.9°	90.0°
H47	C27	C28	H49	177.1°	90.0°
C29	C28	C30	H49	117.0°	90.0°
C28	C29	H50	H51	120.0°	90.0°
C28	C29	H50	H52	120.0°	90.0°
C28	C29	H51	H52	120.0°	90.0°
C29	C28	C30	C31	70.0°	90.0°
C29	C28	C30	H53	50.2°	90.0°
C29	C28	C30	H54	169.8°	90.0°
C30	C28	C29	H50	54.7°	90.0°
C30	C28	C29	H51	65.3°	90.0°
C30	C28	C29	H52	174.7°	90.0°
C28	C30	C31	H53	120.2°	90.0°
C28	C30	C31	H54	120.2°	90.0°
C28	C30	H53	H54	119.3°	90.0°
C28	C30	C31	C32	101.2°	90.0°
C28	C30	C31	H55	78.8°	90.0°
H49	C28	C29	H50	62.3°	90.0°
H49	C28	C29	H51	177.7°	90.0°
H49	C28	C29	H52	57.8°	90.0°
H49	C28	C30	C31	173.0°	90.0°
H49	C28	C30	H53	66.7°	90.0°
H49	C28	C30	H54	52.8°	90.0°
H50	C29	H51	H52	120.0°	90.0°
C31	C30	H53	H54	119.3°	90.0°
C30	C31	C32	H55	180.0°	90.0°
C30	C31	C32	C33	179.9°	90.0°
C30	C31	C32	H56	0.1°	90.0°
H53	C30	C31	C32	19.0°	90.0°
H53	C30	C31	H55	160.9°	90.0°
H54	C30	C31	C32	138.6°	90.0°
H54	C30	C31	H55	41.4°	90.0°
C31	C32	C33	H56	180.0°	90.0°
C31	C32	C33	H57	180.0°	90.0°
C31	C32	C33	H58	60.0°	90.0°
C31	C32	C33	H59	60.0°	90.0°
H55	C31	C32	C33	0.0°	90.0°
H55	C31	C32	H56	180.0°	90.0°
C32	C33	H57	H58	120.0°	90.0°
C32	C33	H57	H59	120.0°	90.0°
C32	C33	H58	H59	120.0°	90.0°
H56	C32	C33	H57	0.0°	90.0°
H56	C32	C33	H58	120.0°	90.0°
H56	C32	C33	H59	120.0°	90.0°
H57	C33	H58	H59	120.0°	90.0°
C34	N6	H60	C26	180.0°	90.0°
N6	C34	C35	C36	120.4°	90.0°
N6	C34	C35	H61	118.9°	90.0°
N6	C34	C36	H61	120.6°	90.0°
N6	C34	C35	O7	73.3°	90.0°
N6	C34	C36	C37	63.8°	90.0°
N6	C34	C36	H62	56.5°	90.0°
N6	C34	C36	H63	176.0°	90.0°
N6	C34	C35	N7	89.1°	90.0°
H60	N6	C34	C35	68.4°	90.0°
H60	N6	C34	C36	52.5°	90.0°
H60	N6	C34	H61	172.8°	90.0°
C35	C34	C36	H61	120.8°	90.0°
C34	C35	O7	N7	163.8°	90.0°
C35	C34	C36	C37	177.7°	90.0°
C35	C34	C36	H62	62.1°	90.0°
C35	C34	C36	H63	57.5°	90.0°
C34	C35	N7	C39	170.5°	90.0°
C34	C35	N7	C38	3.8°	90.0°
C35	C34	N6	C26	111.6°	90.0°
C36	C34	C35	O7	47.1°	90.0°
C34	C36	C37	H62	120.2°	90.0°
C34	C36	C37	H63	120.2°	90.0°
C34	C36	H62	H63	119.3°	90.0°
C34	C36	C37	H64	180.0°	90.0°
C34	C36	C37	H65	60.0°	90.0°
C34	C36	C37	H66	60.0°	90.0°
C36	C34	N6	C26	127.5°	90.0°
C36	C34	C35	N7	150.5°	90.0°
H61	C34	C35	O7	167.8°	90.0°
H61	C34	C36	C37	56.8°	90.0°
H61	C34	C36	H62	177.1°	90.0°
H61	C34	C36	H63	63.4°	90.0°
H61	C34	N6	C26	7.2°	90.0°
H61	C34	C35	N7	29.8°	90.0°
O7	C35	N7	C39	8.1°	90.0°
O7	C35	N7	C38	158.6°	90.0°
C37	C36	H62	H63	119.3°	90.0°
C36	C37	H64	H65	120.0°	90.0°
C36	C37	H64	H66	120.0°	90.0°
C36	C37	H65	H66	120.0°	90.0°
H62	C36	C37	H64	59.8°	90.0°
H62	C36	C37	H65	179.7°	90.0°
H62	C36	C37	H66	60.2°	90.0°
H63	C36	C37	H64	59.8°	90.0°
H63	C36	C37	H65	60.2°	90.0°
H63	C36	C37	H66	179.8°	90.0°
H64	C37	H65	H66	120.0°	90.0°
O10	C46	C45	C47	46.6°	90.0°
O10	C46	C45	O9	179.4°	90.0°
O10	C46	C45	C44	132.9°	90.0°
O10	C46	O9	H75	0.0°	90.0°
C48	C47	C45	H76	180.0°	90.0°
C47	C48	C42	H77	180.0°	90.0°
C48	C47	C45	C46	179.7°	90.0°
C48	C47	C45	C44	0.2°	90.0°
C47	C48	C42	C41	180.0°	90.0°
C47	C48	C42	C43	0.4°	90.0°
C45	C47	C48	C42	0.2°	90.0°
C47	C45	C46	C44	179.5°	90.0°
C47	C45	C46	O9	134.0°	90.0°
C47	C45	C44	C43	0.3°	90.0°
C47	C45	C44	H74	179.7°	90.0°
C45	C47	C48	H77	179.8°	90.0°
C48	C42	C41	C39	50.3°	90.0°
C48	C42	C41	C43	179.6°	90.0°
C48	C42	C43	C44	0.3°	90.0°
C48	C42	C41	H71	170.8°	90.0°
C48	C42	C41	H72	70.2°	90.0°
C48	C42	C43	H73	179.7°	90.0°
C42	C48	C47	H76	179.9°	90.0°
C46	C45	C44	C43	179.8°	90.0°
C46	C45	C44	H74	0.2°	90.0°
C45	C46	O9	H75	179.4°	90.0°
C46	C45	C47	H76	0.3°	90.0°
O9	C46	C45	C44	46.5°	90.0°
C45	C44	C43	C42	0.0°	90.0°
C45	C44	C43	H74	180.0°	90.0°
C45	C44	C43	H73	180.0°	90.0°
C44	C45	C47	H76	179.8°	90.0°
C39	C40	O8	N8	175.1°	90.0°
C40	C39	N7	C41	125.2°	90.0°
C40	C39	N7	H70	116.8°	90.0°
C40	C39	C41	H70	117.1°	90.0°
C40	C39	C41	C42	45.7°	90.0°
C40	C39	N7	C38	31.8°	90.0°
C40	C39	C41	H71	74.8°	90.0°
C40	C39	C41	H72	166.3°	90.0°
C39	C40	O8	H78	180.0°	90.0°
C39	C40	N8	C49	16.0°	90.0°
C39	C40	N8	C50	167.2°	90.0°
C40	C39	N7	C35	134.0°	90.0°
O8	C40	C39	N7	79.1°	90.0°
O8	C40	C39	C41	46.5°	90.0°
O8	C40	C39	H70	163.6°	90.0°
O8	C40	N8	C49	158.5°	90.0°
O8	C40	N8	C50	7.3°	90.0°
N7	C39	C41	H70	118.4°	90.0°
N7	C39	C41	C42	170.3°	90.0°
C39	N7	C38	C35	165.1°	90.0°
C39	N7	C38	H67	180.0°	90.0°
C39	N7	C38	H68	60.0°	90.0°
C39	N7	C38	H69	60.0°	90.0°
N7	C39	C41	H71	49.8°	90.0°
N7	C39	C41	H72	69.2°	90.0°
N7	C39	C40	N8	95.7°	90.0°
C39	C41	C42	H71	120.5°	90.0°
C39	C41	C42	H72	120.5°	90.0°
C39	C41	C42	C43	130.1°	90.0°
C41	C39	N7	C38	93.4°	90.0°
C39	C41	H71	H72	118.4°	90.0°
C41	C39	N7	C35	100.8°	90.0°
C41	C39	C40	N8	138.7°	90.0°
C41	C42	C43	C44	179.9°	90.0°
C42	C41	C39	H70	71.3°	90.0°
C42	C41	H71	H72	118.4°	90.0°
C41	C42	C43	H73	0.1°	90.0°
C41	C42	C48	H77	0.0°	90.0°
C42	C43	C44	H73	180.0°	90.0°
C43	C42	C41	H71	9.6°	90.0°
C43	C42	C41	H72	109.3°	90.0°
C42	C43	C44	H74	180.0°	90.0°
C43	C42	C48	H77	179.6°	90.0°
N7	C38	H67	H68	120.0°	90.0°
N7	C38	H67	H69	120.0°	90.0°
N7	C38	H68	H69	120.0°	90.0°
C38	N7	C39	H70	148.6°	90.0°
H67	C38	H68	H69	120.0°	90.0°
H67	C38	N7	C35	14.9°	90.0°
H68	C38	N7	C35	134.9°	90.0°
H69	C38	N7	C35	105.1°	90.0°
H70	C39	C41	H71	168.2°	90.0°
H70	C39	C41	H72	49.2°	90.0°
H70	C39	N7	C35	17.2°	90.0°
H70	C39	C40	N8	21.6°	90.0°
H73	C43	C44	H74	0.0°	90.0°
H76	C47	C48	H77	0.2°	90.0°
H78	O8	C40	N8	4.9°	90.0°
C49	N8	C50	C40	150.1°	90.0°
N8	C49	H79	H80	120.0°	90.0°
N8	C49	H79	H81	120.0°	90.0°
N8	C49	H80	H81	120.0°	90.0°
C49	N8	C50	C51	67.4°	90.0°
C49	N8	C50	C55	55.5°	90.0°
C49	N8	C50	H82	174.7°	90.0°
C50	N8	C49	H79	180.0°	90.0°
C50	N8	C49	H80	60.0°	90.0°
C50	N8	C49	H81	60.0°	90.0°
N8	C50	C51	C55	124.6°	90.0°
N8	C50	C51	H82	118.4°	90.0°
N8	C50	C55	H82	119.5°	90.0°
N8	C50	C51	C52	44.3°	90.0°
N8	C50	C51	H83	76.2°	90.0°
N8	C50	C51	H84	164.8°	90.0°
N8	C50	C55	O11	71.4°	90.0°
N8	C50	C55	N9	111.9°	90.0°
H79	C49	H80	H81	120.0°	90.0°
H79	C49	N8	C40	29.7°	90.0°
H80	C49	N8	C40	90.3°	90.0°
H81	C49	N8	C40	149.7°	90.0°
C51	C50	C55	H82	116.8°	90.0°
C50	C51	C52	H83	120.5°	90.0°
C50	C51	C52	H84	120.5°	90.0°
C50	C51	H83	H84	118.5°	90.0°
C50	C51	C52	C53	173.4°	90.0°
C50	C51	C52	C54	62.1°	90.0°
C50	C51	C52	H85	56.2°	90.0°
C51	C50	C55	O11	52.3°	90.0°
C51	C50	N8	C40	142.6°	90.0°
C51	C50	C55	N9	124.4°	90.0°
C55	C50	C51	C52	168.9°	90.0°
C55	C50	C51	H83	48.4°	90.0°
C55	C50	C51	H84	70.6°	90.0°
C50	C55	O11	N9	176.5°	90.0°
C50	C55	N9	C56	173.0°	90.0°
C50	C55	N9	H92	7.0°	90.0°
C55	C50	N8	C40	94.5°	90.0°
H82	C50	C51	C52	74.1°	90.0°
H82	C50	C51	H83	165.4°	90.0°
H82	C50	C51	H84	46.4°	90.0°
H82	C50	C55	O11	169.1°	90.0°
H82	C50	N8	C40	24.7°	90.0°
H82	C50	C55	N9	7.6°	90.0°
C52	C51	H83	H84	118.5°	90.0°
C51	C52	C53	C54	123.9°	90.0°
C51	C52	C53	H85	117.2°	90.0°
C51	C52	C54	H85	118.2°	90.0°
C51	C52	C53	H86	180.0°	90.0°
C51	C52	C53	H87	60.0°	90.0°
C51	C52	C53	H88	60.0°	90.0°
C51	C52	C54	H89	180.0°	90.0°
C51	C52	C54	H90	60.0°	90.0°
C51	C52	C54	H91	60.0°	90.0°
H83	C51	C52	C53	52.9°	90.0°
H83	C51	C52	C54	177.4°	90.0°
H83	C51	C52	H85	64.3°	90.0°
H84	C51	C52	C53	66.1°	90.0°
H84	C51	C52	C54	58.4°	90.0°
H84	C51	C52	H85	176.7°	90.0°
C53	C52	C54	H85	118.9°	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	57.2°	90.0°
C53	C52	C54	H90	62.8°	90.0°
C53	C52	C54	H91	177.2°	90.0°
C54	C52	C53	H86	56.1°	90.0°
C54	C52	C53	H87	176.1°	90.0°
C54	C52	C53	H88	63.9°	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°
H85	C52	C53	H86	62.8°	90.0°
H85	C52	C53	H87	57.2°	90.0°
H85	C52	C53	H88	177.2°	90.0°
H85	C52	C54	H89	61.7°	90.0°
H85	C52	C54	H90	178.2°	90.0°
H85	C52	C54	H91	58.3°	90.0°
H86	C53	H87	H88	120.0°	90.0°
H89	C54	H90	H91	120.0°	90.0°
O11	C55	N9	C56	3.5°	90.0°
O11	C55	N9	H92	176.6°	90.0°
C56	N9	H92	C55	180.0°	90.0°
N9	C56	C57	C58	125.8°	90.0°
N9	C56	C57	H93	117.7°	90.0°
N9	C56	C58	H93	118.8°	90.0°
N9	C56	C57	O12	49.1°	90.0°
N9	C56	C58	C59	55.9°	90.0°
N9	C56	C58	C60	68.4°	90.0°
N9	C56	C58	H94	173.3°	90.0°
N9	C56	C57	N10	118.4°	90.0°
H92	N9	C56	C57	109.0°	90.0°
H92	N9	C56	C58	15.1°	90.0°
H92	N9	C56	H93	133.6°	90.0°
C57	C56	C58	H93	116.6°	90.0°
C56	C57	O12	N10	168.9°	90.0°
C57	C56	C58	C59	179.5°	90.0°
C57	C56	C58	C60	56.1°	90.0°
C57	C56	C58	H94	62.1°	90.0°
C56	C57	N10	C61	38.3°	90.0°
C56	C57	N10	C62	170.2°	90.0°
C57	C56	N9	C55	70.9°	90.0°
C58	C56	C57	O12	76.7°	90.0°
C56	C58	C59	C60	125.0°	90.0°
C56	C58	C59	H94	117.2°	90.0°
C56	C58	C60	H94	118.1°	90.0°
C56	C58	C59	H95	180.0°	90.0°
C56	C58	C59	H96	60.0°	90.0°
C56	C58	C59	H97	60.0°	90.0°
C56	C58	C60	H98	180.0°	90.0°
C56	C58	C60	H99	60.0°	90.0°
C56	C58	C60	H100	60.0°	90.0°
C58	C56	N9	C55	164.9°	90.0°
C58	C56	C57	N10	115.9°	90.0°
H93	C56	C57	O12	166.8°	90.0°
H93	C56	C58	C59	62.9°	90.0°
H93	C56	C58	C60	172.8°	90.0°
H93	C56	C58	H94	54.5°	90.0°
H93	C56	N9	C55	46.4°	90.0°
H93	C56	C57	N10	0.7°	90.0°
O12	C57	N10	C61	153.9°	90.0°
O12	C57	N10	C62	2.4°	90.0°
C59	C58	C60	H94	117.8°	90.0°
C58	C59	H95	H96	120.0°	90.0°
C58	C59	H95	H97	120.0°	90.0°
C58	C59	H96	H97	120.0°	90.0°
C59	C58	C60	H98	55.9°	90.0°
C59	C58	C60	H99	64.1°	90.0°
C59	C58	C60	H100	175.9°	90.0°
C60	C58	C59	H95	55.0°	90.0°
C60	C58	C59	H96	174.9°	90.0°
C60	C58	C59	H97	65.0°	90.0°
C58	C60	H98	H99	120.0°	90.0°
C58	C60	H98	H100	120.0°	90.0°
C58	C60	H99	H100	120.0°	90.0°
H94	C58	C59	H95	62.8°	90.0°
H94	C58	C59	H96	57.2°	90.0°
H94	C58	C59	H97	177.2°	90.0°
H94	C58	C60	H98	61.9°	90.0°
H94	C58	C60	H99	178.1°	90.0°
H94	C58	C60	H100	58.1°	90.0°
H95	C59	H96	H97	120.0°	90.0°
H98	C60	H99	H100	120.0°	90.0°
C61	N10	C62	C57	148.5°	90.0°
N10	C61	H101	H102	120.0°	90.0°
N10	C61	H101	H103	120.0°	90.0°
N10	C61	H102	H103	120.0°	90.0°
C61	N10	C62	C63	80.5°	90.0°
C61	N10	C62	C67	43.2°	90.0°
C61	N10	C62	H104	162.8°	90.0°
C62	N10	C61	H101	180.0°	90.0°
C62	N10	C61	H102	60.0°	90.0°
C62	N10	C61	H103	60.0°	90.0°
N10	C62	C63	C67	125.4°	90.0°
N10	C62	C63	H104	117.3°	90.0°
N10	C62	C67	H104	119.9°	90.0°
N10	C62	C63	C64	51.1°	90.0°
N10	C62	C63	H105	69.4°	90.0°
N10	C62	C63	H106	171.6°	90.0°
N10	C62	C67	O13	28.3°	90.0°
N10	C62	C67	N11	156.7°	90.0°
H101	C61	H102	H103	120.0°	90.0°
H101	C61	N10	C57	27.9°	90.0°
H102	C61	N10	C57	92.1°	90.0°
H103	C61	N10	C57	147.9°	90.0°
C63	C62	C67	H104	117.1°	90.0°
C62	C63	C64	H105	120.5°	90.0°
C62	C63	C64	H106	120.5°	90.0°
C62	C63	H105	H106	118.5°	90.0°
C62	C63	C64	C65	172.9°	90.0°
C62	C63	C64	C66	63.3°	90.0°
C62	C63	C64	H107	54.9°	90.0°
C63	C62	C67	O13	151.3°	90.0°
C63	C62	N10	C57	131.0°	90.0°
C63	C62	C67	N11	33.8°	90.0°
C67	C62	C63	C64	176.5°	90.0°
C67	C62	C63	H105	56.0°	90.0°
C67	C62	C63	H106	63.0°	90.0°
C62	C67	O13	N11	175.2°	90.0°
C62	C67	N11	C68	173.7°	90.0°
C62	C67	N11	H114	6.3°	90.0°
C67	C62	N10	C57	105.3°	90.0°
H104	C62	C63	C64	66.2°	90.0°
H104	C62	C63	H105	173.3°	90.0°
H104	C62	C63	H106	54.3°	90.0°
H104	C62	C67	O13	91.6°	90.0°
H104	C62	N10	C57	14.3°	90.0°
H104	C62	C67	N11	83.3°	90.0°
C64	C63	H105	H106	118.5°	90.0°
C63	C64	C65	C66	124.2°	90.0°
C63	C64	C65	H107	118.0°	90.0°
C63	C64	C66	H107	118.2°	90.0°
C63	C64	C65	H108	180.0°	90.0°
C63	C64	C65	H109	60.0°	90.0°
C63	C64	C65	H110	60.0°	90.0°
C63	C64	C66	H111	180.0°	90.0°
C63	C64	C66	H112	60.0°	90.0°
C63	C64	C66	H113	60.0°	90.0°
H105	C63	C64	C65	52.4°	90.0°
H105	C63	C64	C66	176.2°	90.0°
H105	C63	C64	H107	65.6°	90.0°
H106	C63	C64	C65	66.6°	90.0°
H106	C63	C64	C66	57.2°	90.0°
H106	C63	C64	H107	175.4°	90.0°
C65	C64	C66	H107	117.8°	90.0°
C64	C65	H108	H109	120.0°	90.0°
C64	C65	H108	H110	120.0°	90.0°
C64	C65	H109	H110	120.0°	90.0°
C65	C64	C66	H111	56.0°	90.0°
C65	C64	C66	H112	64.0°	90.0°
C65	C64	C66	H113	176.0°	90.0°
C66	C64	C65	H108	55.8°	90.0°
C66	C64	C65	H109	175.8°	90.0°
C66	C64	C65	H110	64.2°	90.0°
C64	C66	H111	H112	120.0°	90.0°
C64	C66	H111	H113	120.0°	90.0°
C64	C66	H112	H113	120.0°	90.0°
H107	C64	C65	H108	62.0°	90.0°
H107	C64	C65	H109	58.0°	90.0°
H107	C64	C65	H110	178.0°	90.0°
H107	C64	C66	H111	61.8°	90.0°
H107	C64	C66	H112	178.2°	90.0°
H107	C64	C66	H113	58.2°	90.0°
H108	C65	H109	H110	119.9°	90.0°
H111	C66	H112	H113	120.0°	90.0°
O13	C67	N11	C68	1.2°	90.0°
O13	C67	N11	H114	178.8°	90.0°
C68	N11	H114	C67	180.0°	90.0°
N11	C68	C69	C70	121.9°	90.0°
N11	C68	C69	H115	119.0°	90.0°
N11	C68	C70	H115	119.5°	90.0°
N11	C68	C69	O14	6.0°	90.0°
N11	C68	C70	H116	180.0°	90.0°
N11	C68	C70	H117	60.0°	90.0°
N11	C68	C70	H118	60.0°	90.0°
N11	C68	C69	N1	169.0°	90.0°
H114	N11	C68	C69	97.6°	90.0°
H114	N11	C68	C70	24.7°	90.0°
H114	N11	C68	H115	143.8°	90.0°
C69	C68	C70	H115	119.0°	90.0°
C68	C69	O14	N1	174.8°	90.0°
C69	C68	C70	H116	58.5°	90.0°
C69	C68	C70	H117	178.5°	90.0°
C69	C68	C70	H118	61.5°	90.0°
C69	C68	N11	C67	82.4°	90.0°
C70	C68	C69	O14	116.0°	90.0°
C68	C70	H116	H117	120.0°	90.0°
C68	C70	H116	H118	120.0°	90.0°
C68	C70	H117	H118	120.0°	90.0°
C70	C68	C69	N1	69.1°	90.0°
C70	C68	N11	C67	155.3°	90.0°
H115	C68	C69	O14	125.0°	90.0°
H115	C68	C70	H116	60.5°	90.0°
H115	C68	C70	H117	59.5°	90.0°
H115	C68	C70	H118	179.5°	90.0°
H115	C68	C69	N1	50.0°	90.0°
H115	C68	N11	C67	36.2°	90.0°
H116	C70	H117	H118	120.0°	90.0°

Release date:	2013-11-06
Last modified:	2013-11-06
Processing site:	RCSB