PRD_000724

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	1.53Å
C1	C3	sing	0.00Å	1.54Å
C1	H2	sing	0.00Å	1.10Å
C2	O1	doub	0.00Å	1.26Å
C3	O2	sing	0.00Å	1.41Å
C3	H3	sing	0.00Å	1.10Å
C3	H4	sing	0.00Å	1.10Å
O2	H5	sing	0.00Å	0.95Å
N2	C4	sing	0.00Å	1.47Å
N2	H6	sing	0.00Å	1.00Å
C4	C5	sing	0.00Å	1.54Å
C4	C6	sing	0.00Å	1.54Å
C4	H7	sing	0.00Å	1.10Å
C5	O3	doub	0.00Å	1.24Å
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	1.54Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.54Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C9	N3	sing	0.00Å	1.49Å
C9	H14	sing	0.00Å	1.10Å
C9	H15	sing	0.00Å	1.10Å
N3	H16	sing	0.00Å	1.00Å
N3	H17	sing	0.00Å	1.00Å
N3	H18	sing	0.00Å	1.00Å
N4	C10	sing	0.00Å	1.47Å
N4	H19	sing	0.00Å	1.00Å
C10	C11	sing	0.00Å	1.52Å
C10	H20	sing	0.00Å	1.10Å
C10	H21	sing	0.00Å	1.10Å
C11	O4	doub	0.00Å	1.23Å
N5	C12	sing	0.00Å	1.47Å
C12	C13	sing	0.00Å	1.53Å
C12	C17	sing	0.00Å	1.50Å
C13	C14	sing	0.00Å	1.53Å
C14	C15	sing	0.00Å	1.54Å
C15	N6	sing	0.00Å	1.48Å
N6	O5	sing	0.00Å	1.22Å
N6	C16	sing	0.00Å	1.27Å
C16	O6	doub	0.00Å	1.22Å
C17	O7	doub	0.00Å	1.24Å
N5	H22	sing	0.00Å	1.00Å
C12	H23	sing	0.00Å	1.10Å
C13	H24	sing	0.00Å	1.10Å
C13	H25	sing	0.00Å	1.10Å
C14	H26	sing	0.00Å	1.10Å
C14	H27	sing	0.00Å	1.10Å
C15	H28	sing	0.00Å	1.10Å
C15	H29	sing	0.00Å	1.10Å
C16	H30	sing	0.00Å	1.08Å
N7	C18	sing	0.00Å	1.49Å
N7	H31	sing	0.00Å	1.00Å
C18	C19	sing	0.00Å	1.52Å
C18	C20	sing	0.00Å	1.53Å
C18	H32	sing	0.00Å	1.10Å
C19	O8	doub	0.00Å	1.23Å
C20	O9	sing	0.00Å	1.42Å
C20	H33	sing	0.00Å	1.10Å
C20	H34	sing	0.00Å	1.10Å
O9	H35	sing	0.00Å	0.95Å
N8	C21	sing	0.00Å	1.48Å
N8	H36	sing	0.00Å	1.00Å
C21	C22	sing	0.00Å	1.56Å
C21	C23	sing	0.00Å	1.54Å
C21	H37	sing	0.00Å	1.10Å
C22	O10	doub	0.00Å	1.24Å
C23	O11	sing	0.00Å	1.41Å
C23	H38	sing	0.00Å	1.10Å
C23	H39	sing	0.00Å	1.10Å
O11	H40	sing	0.00Å	0.95Å
N9	C24	sing	0.00Å	1.47Å
N9	H41	sing	0.00Å	1.00Å
C24	C25	sing	0.00Å	1.53Å
C24	H42	sing	0.00Å	1.10Å
C24	H43	sing	0.00Å	1.10Å
C25	O12	doub	0.00Å	1.22Å
N10	C26	sing	0.00Å	1.45Å
N10	H44	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.55Å
C26	C28	sing	0.00Å	1.53Å
C26	H45	sing	0.00Å	1.10Å
C27	O13	doub	0.00Å	1.23Å
C28	C29	sing	0.00Å	1.50Å
C28	H46	sing	0.00Å	1.10Å
C28	H47	sing	0.00Å	1.10Å
C29	C30	sing	0.00Å	1.47Å
C29	H48	sing	0.00Å	1.10Å
C29	H49	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.53Å
C30	H50	sing	0.00Å	1.10Å
C30	H51	sing	0.00Å	1.10Å
C31	N11	sing	0.00Å	1.46Å
C31	H52	sing	0.00Å	1.10Å
C31	H53	sing	0.00Å	1.10Å
N11	H54	sing	0.00Å	1.00Å
N11	H55	sing	0.00Å	1.00Å
N12	C32	sing	0.00Å	1.48Å
C32	C33	sing	0.00Å	1.54Å
C32	C37	sing	0.00Å	1.50Å
C33	C34	sing	0.00Å	1.55Å
C34	C35	sing	0.00Å	1.53Å
C35	N13	sing	0.00Å	1.46Å
N13	O14	sing	0.00Å	1.22Å
N13	C36	sing	0.00Å	1.26Å
C36	O15	doub	0.00Å	1.23Å
C37	O16	doub	0.00Å	1.21Å
N12	H56	sing	0.00Å	1.00Å
C32	H57	sing	0.00Å	1.10Å
C33	H58	sing	0.00Å	1.10Å
C33	H59	sing	0.00Å	1.10Å
C34	H60	sing	0.00Å	1.10Å
C34	H61	sing	0.00Å	1.10Å
C35	H62	sing	0.00Å	1.10Å
C35	H63	sing	0.00Å	1.10Å
C36	H64	sing	0.00Å	1.08Å
N14	C38	sing	0.00Å	1.49Å
N14	H65	sing	0.00Å	1.00Å
C38	C39	sing	0.00Å	1.52Å
C38	C40	sing	0.00Å	1.50Å
C38	H66	sing	0.00Å	1.10Å
C39	O17	doub	0.00Å	1.23Å
C40	O18	sing	0.00Å	1.40Å
C40	H67	sing	0.00Å	1.10Å
C40	H68	sing	0.00Å	1.10Å
O18	H69	sing	0.00Å	0.95Å
O19	C41	doub	0.00Å	1.26Å
C41	O20	sing	0.00Å	1.26Å
C41	C42	sing	0.00Å	1.51Å
C42	C43	sing	0.00Å	1.53Å
C43	C44	sing	0.00Å	1.37Å
C44	O21	doub	0.00Å	1.23Å
C44	N15	sing	0.00Å	1.34Å
N15	C45	sing	0.00Å	1.43Å
C45	C46	doub	0.00Å	1.42Å	Aromatic
C45	C55	sing	0.00Å	1.40Å	Aromatic
C46	C47	sing	0.00Å	1.41Å	Aromatic
C47	C48	sing	0.00Å	1.41Å	Aromatic
C47	C52	doub	0.00Å	1.41Å	Aromatic
C48	C49	doub	0.00Å	1.41Å	Aromatic
C49	O22	sing	0.00Å	1.37Å
C49	C50	sing	0.00Å	1.39Å	Aromatic
C50	O23	sing	0.00Å	1.37Å
C50	C51	doub	0.00Å	1.41Å	Aromatic
C51	C52	sing	0.00Å	1.42Å	Aromatic
C52	N16	sing	0.00Å	1.38Å	Aromatic
N16	C53	sing	0.00Å	1.48Å
N16	C55	doub	0.00Å	1.38Å	Aromatic
C53	C54	sing	0.00Å	1.52Å
C53	C57	sing	0.00Å	1.53Å
C54	O24	doub	0.00Å	1.22Å
C55	N17	sing	0.00Å	1.37Å
N17	C56	sing	0.00Å	1.46Å
C56	C57	sing	0.00Å	1.52Å
O20	H70	sing	0.00Å	0.95Å
C42	H71	sing	0.00Å	1.10Å
C42	H72	sing	0.00Å	1.10Å
C43	H73	sing	0.00Å	1.10Å
C43	H74	sing	0.00Å	1.10Å
N15	H75	sing	0.00Å	1.00Å
C46	H76	sing	0.00Å	1.08Å
C48	H77	sing	0.00Å	1.08Å
C51	H78	sing	0.00Å	1.08Å
C53	H79	sing	0.00Å	1.10Å
C57	H80	sing	0.00Å	1.10Å
C57	H81	sing	0.00Å	1.10Å
N17	H82	sing	0.00Å	1.00Å
C56	H83	sing	0.00Å	1.10Å
C56	H84	sing	0.00Å	1.10Å
C2	N2	sing	0.00Å	1.34Å
C11	N5	sing	0.00Å	1.34Å
C17	N7	sing	0.00Å	1.34Å
C19	N8	sing	0.00Å	1.34Å
C22	N9	sing	0.00Å	1.34Å
N11	C39	sing	0.00Å	1.23Å
C27	N12	sing	0.00Å	1.33Å
C37	N14	sing	0.00Å	1.33Å
N1	C54	sing	0.00Å	1.28Å
O14	FE1	sing	0.00Å	2.04Å
O5	FE1	sing	0.00Å	2.04Å
O15	FE1	sing	0.00Å	2.02Å
O6	FE1	sing	0.00Å	2.05Å
O22	FE1	sing	0.00Å	2.06Å
O23	FE1	sing	0.00Å	2.07Å
C5	N4	sing	0.00Å	1.34Å
C25	N10	sing	0.00Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	120.2°	90.0°
N1	C1	C2	112.7°	90.0°
N1	C1	C3	112.9°	90.0°
N1	C1	H2	106.7°	90.0°
C1	N1	C54	119.6°	90.0°
H1	N1	C54	120.2°	90.0°
C2	C1	C3	111.5°	90.0°
C2	C1	H2	106.4°	90.0°
C1	C2	O1	120.0°	90.0°
C1	C2	N2	116.0°	90.0°
C3	C1	H2	106.2°	90.0°
C1	C3	O2	112.3°	90.0°
C1	C3	H3	108.8°	90.0°
C1	C3	H4	108.8°	90.0°
O1	C2	N2	124.0°	90.0°
O2	C3	H3	108.7°	90.0°
O2	C3	H4	108.8°	90.0°
C3	O2	H5	109.5°	90.0°
H3	C3	H4	109.5°	90.0°
C4	N2	H6	119.1°	90.0°
N2	C4	C5	111.5°	90.0°
N2	C4	C6	110.8°	90.0°
N2	C4	H7	107.6°	90.0°
C4	N2	C2	121.9°	90.0°
H6	N2	C2	119.1°	90.0°
C5	C4	C6	113.1°	90.0°
C5	C4	H7	106.7°	90.0°
C4	C5	O3	121.2°	90.0°
C4	C5	N4	115.3°	90.0°
C6	C4	H7	106.7°	90.0°
C4	C6	C7	115.2°	90.0°
C4	C6	H8	108.0°	90.0°
C4	C6	H9	108.0°	90.0°
O3	C5	N4	123.5°	90.0°
C7	C6	H8	108.1°	90.0°
C7	C6	H9	108.0°	90.0°
C6	C7	C8	114.8°	90.0°
C6	C7	H10	108.1°	90.0°
C6	C7	H11	108.1°	90.0°
H8	C6	H9	109.4°	90.0°
C8	C7	H10	108.1°	90.0°
C8	C7	H11	108.1°	90.0°
C7	C8	C9	114.5°	90.0°
C7	C8	H12	108.2°	90.0°
C7	C8	H13	108.2°	90.0°
H10	C7	H11	109.5°	90.0°
C9	C8	H12	108.2°	90.0°
C9	C8	H13	108.2°	90.0°
C8	C9	N3	111.9°	90.0°
C8	C9	H14	108.9°	90.0°
C8	C9	H15	108.8°	90.0°
H12	C8	H13	109.5°	90.0°
N3	C9	H14	108.9°	90.0°
N3	C9	H15	108.9°	90.0°
C9	N3	H16	109.5°	90.0°
C9	N3	H17	109.5°	90.0°
C9	N3	H18	109.5°	90.0°
H14	C9	H15	109.5°	90.0°
H16	N3	H17	109.4°	90.0°
H16	N3	H18	109.5°	90.0°
H17	N3	H18	109.5°	90.0°
C10	N4	H19	117.9°	90.0°
N4	C10	C11	117.9°	90.0°
N4	C10	H20	107.3°	90.0°
N4	C10	H21	107.3°	90.0°
C10	N4	C5	124.2°	90.0°
H19	N4	C5	117.9°	90.0°
C11	C10	H20	107.3°	90.0°
C11	C10	H21	107.3°	90.0°
C10	C11	O4	119.3°	90.0°
C10	C11	N5	117.2°	90.0°
H20	C10	H21	109.5°	90.0°
O4	C11	N5	123.3°	90.0°
N5	C12	C13	104.9°	90.0°
N5	C12	C17	116.5°	90.0°
C12	N5	H22	118.1°	90.0°
N5	C12	H23	110.1°	90.0°
C12	N5	C11	123.7°	90.0°
C13	C12	C17	106.0°	90.0°
C12	C13	C14	114.9°	90.0°
C13	C12	H23	109.3°	90.0°
C12	C13	H24	108.1°	90.0°
C12	C13	H25	108.1°	90.0°
C12	C17	O7	120.0°	90.0°
C17	C12	H23	109.7°	90.0°
C12	C17	N7	117.1°	90.0°
C13	C14	C15	117.3°	90.0°
C14	C13	H24	108.1°	90.0°
C14	C13	H25	108.1°	90.0°
C13	C14	H26	107.5°	90.0°
C13	C14	H27	107.4°	90.0°
C14	C15	N6	115.0°	90.0°
C15	C14	H26	107.5°	90.0°
C15	C14	H27	107.5°	90.0°
C14	C15	H28	108.1°	90.0°
C14	C15	H29	108.1°	90.0°
C15	N6	O5	123.4°	90.0°
C15	N6	C16	118.7°	90.0°
N6	C15	H28	108.0°	90.0°
N6	C15	H29	108.1°	90.0°
O5	N6	C16	117.9°	90.0°
N6	O5	FE1	109.8°	90.0°
N6	C16	O6	120.6°	90.0°
N6	C16	H30	119.7°	90.0°
O6	C16	H30	119.7°	90.0°
C16	O6	FE1	108.1°	90.0°
O7	C17	N7	122.9°	90.0°
H22	N5	C11	118.1°	90.0°
H24	C13	H25	109.5°	90.0°
H26	C14	H27	109.5°	90.0°
H28	C15	H29	109.5°	90.0°
C18	N7	H31	118.5°	90.0°
N7	C18	C19	112.7°	90.0°
N7	C18	C20	112.2°	90.0°
N7	C18	H32	107.3°	90.0°
C18	N7	C17	123.0°	90.0°
H31	N7	C17	118.5°	90.0°
C19	C18	C20	110.5°	90.0°
C19	C18	H32	106.9°	90.0°
C18	C19	O8	118.6°	90.0°
C18	C19	N8	117.8°	90.0°
C20	C18	H32	106.8°	90.0°
C18	C20	O9	110.4°	90.0°
C18	C20	H33	109.3°	90.0°
C18	C20	H34	109.3°	90.0°
O8	C19	N8	123.6°	90.0°
O9	C20	H33	109.2°	90.0°
O9	C20	H34	109.2°	90.0°
C20	O9	H35	109.5°	90.0°
H33	C20	H34	109.5°	90.0°
C21	N8	H36	118.5°	90.0°
N8	C21	C22	115.5°	90.0°
N8	C21	C23	110.9°	90.0°
N8	C21	H37	106.7°	90.0°
C21	N8	C19	123.0°	90.0°
H36	N8	C19	118.5°	90.0°
C22	C21	C23	111.1°	90.0°
C22	C21	H37	105.8°	90.0°
C21	C22	O10	121.0°	90.0°
C21	C22	N9	116.0°	90.0°
C23	C21	H37	106.1°	90.0°
C21	C23	O11	110.8°	90.0°
C21	C23	H38	109.1°	90.0°
C21	C23	H39	109.1°	90.0°
O10	C22	N9	123.0°	90.0°
O11	C23	H38	109.1°	90.0°
O11	C23	H39	109.1°	90.0°
C23	O11	H40	109.5°	90.0°
H38	C23	H39	109.5°	90.0°
C24	N9	H41	118.7°	90.0°
N9	C24	C25	106.2°	90.0°
N9	C24	H42	110.3°	90.0°
N9	C24	H43	110.3°	90.0°
C24	N9	C22	122.6°	90.0°
H41	N9	C22	118.7°	90.0°
C25	C24	H42	110.3°	90.0°
C25	C24	H43	110.3°	90.0°
C24	C25	O12	121.0°	90.0°
C24	C25	N10	116.8°	90.0°
H42	C24	H43	109.5°	90.0°
O12	C25	N10	122.1°	90.0°
C26	N10	H44	119.2°	90.0°
N10	C26	C27	117.5°	90.0°
N10	C26	C28	109.1°	90.0°
N10	C26	H45	107.2°	90.0°
C26	N10	C25	121.6°	90.0°
H44	N10	C25	119.2°	90.0°
C27	C26	C28	110.1°	90.0°
C27	C26	H45	106.1°	90.0°
C26	C27	O13	118.9°	90.0°
C26	C27	N12	120.1°	90.0°
C28	C26	H45	106.3°	90.0°
C26	C28	C29	111.9°	90.0°
C26	C28	H46	108.9°	90.0°
C26	C28	H47	108.9°	90.0°
O13	C27	N12	121.0°	90.0°
C29	C28	H46	108.8°	90.0°
C29	C28	H47	108.8°	90.0°
C28	C29	C30	111.8°	90.0°
C28	C29	H48	108.9°	90.0°
C28	C29	H49	108.9°	90.0°
H46	C28	H47	109.5°	90.0°
C30	C29	H48	108.9°	90.0°
C30	C29	H49	108.9°	90.0°
C29	C30	C31	112.5°	90.0°
C29	C30	H50	108.7°	90.0°
C29	C30	H51	108.7°	90.0°
H48	C29	H49	109.5°	90.0°
C31	C30	H50	108.7°	90.0°
C31	C30	H51	108.7°	90.0°
C30	C31	N11	112.3°	90.0°
C30	C31	H52	108.8°	90.0°
C30	C31	H53	108.8°	90.0°
H50	C30	H51	109.5°	90.0°
N11	C31	H52	108.7°	90.0°
N11	C31	H53	108.7°	90.0°
C31	N11	H54	108.0°	90.0°
C31	N11	H55	108.0°	90.0°
C31	N11	C39	115.4°	90.0°
H52	C31	H53	109.5°	90.0°
H54	N11	H55	109.5°	90.0°
H54	N11	C39	108.0°	90.0°
H55	N11	C39	108.0°	90.0°
N12	C32	C33	112.0°	90.0°
N12	C32	C37	106.6°	90.0°
C32	N12	H56	118.9°	90.0°
N12	C32	H57	108.6°	90.0°
C32	N12	C27	122.1°	90.0°
C33	C32	C37	113.5°	90.0°
C32	C33	C34	117.1°	90.0°
C33	C32	H57	107.8°	90.0°
C32	C33	H58	107.5°	90.0°
C32	C33	H59	107.5°	90.0°
C32	C37	O16	119.9°	90.0°
C37	C32	H57	108.3°	90.0°
C32	C37	N14	118.2°	90.0°
C33	C34	C35	108.3°	90.0°
C34	C33	H58	107.5°	90.0°
C34	C33	H59	107.5°	90.0°
C33	C34	H60	109.8°	90.0°
C33	C34	H61	109.8°	90.0°
C34	C35	N13	115.9°	90.0°
C35	C34	H60	109.7°	90.0°
C35	C34	H61	109.8°	90.0°
C34	C35	H62	107.8°	90.0°
C34	C35	H63	107.9°	90.0°
C35	N13	O14	121.3°	90.0°
C35	N13	C36	117.9°	90.0°
N13	C35	H62	107.8°	90.0°
N13	C35	H63	107.8°	90.0°
O14	N13	C36	120.7°	90.0°
N13	O14	FE1	107.5°	90.0°
N13	C36	O15	126.4°	90.0°
N13	C36	H64	116.8°	90.0°
O15	C36	H64	116.8°	90.0°
C36	O15	FE1	105.0°	90.0°
O16	C37	N14	121.8°	90.0°
H56	N12	C27	119.0°	90.0°
H58	C33	H59	109.5°	90.0°
H60	C34	H61	109.5°	90.0°
H62	C35	H63	109.5°	90.0°
C38	N14	H65	119.7°	90.0°
N14	C38	C39	111.6°	90.0°
N14	C38	C40	111.3°	90.0°
N14	C38	H66	109.0°	90.0°
C38	N14	C37	120.6°	90.0°
H65	N14	C37	119.7°	90.0°
C39	C38	C40	107.6°	90.0°
C39	C38	H66	108.5°	90.0°
C38	C39	O17	121.2°	90.0°
C38	C39	N11	116.5°	90.0°
C40	C38	H66	108.8°	90.0°
C38	C40	O18	107.3°	90.0°
C38	C40	H67	110.0°	90.0°
C38	C40	H68	110.0°	90.0°
O17	C39	N11	119.0°	90.0°
O18	C40	H67	110.0°	90.0°
O18	C40	H68	110.0°	90.0°
C40	O18	H69	109.5°	90.0°
H67	C40	H68	109.5°	90.0°
O19	C41	O20	124.1°	90.0°
O19	C41	C42	117.7°	90.0°
O20	C41	C42	118.2°	90.0°
C41	O20	H70	109.5°	90.0°
C41	C42	C43	111.8°	90.0°
C41	C42	H71	108.9°	90.0°
C41	C42	H72	108.9°	90.0°
C42	C43	C44	105.2°	90.0°
C43	C42	H71	108.9°	90.0°
C43	C42	H72	108.9°	90.0°
C42	C43	H73	110.5°	90.0°
C42	C43	H74	110.5°	90.0°
C43	C44	O21	124.1°	90.0°
C43	C44	N15	108.5°	90.0°
C44	C43	H73	110.5°	90.0°
C44	C43	H74	110.5°	90.0°
O21	C44	N15	126.4°	90.0°
C44	N15	C45	125.1°	90.0°
C44	N15	H75	117.5°	90.0°
N15	C45	C46	122.6°	90.0°
N15	C45	C55	120.3°	90.0°
C45	N15	H75	117.4°	90.0°
C46	C45	C55	117.1°	90.0°
C45	C46	C47	121.9°	90.0°
C45	C46	H76	119.0°	90.0°
C45	C55	N16	120.9°	90.0°
C45	C55	N17	117.1°	90.0°
C46	C47	C48	121.4°	90.0°
C46	C47	C52	118.7°	90.0°
C47	C46	H76	119.1°	90.0°
C48	C47	C52	119.9°	90.0°
C47	C48	C49	120.6°	90.0°
C47	C48	H77	119.7°	90.0°
C47	C52	C51	118.7°	90.0°
C47	C52	N16	118.7°	90.0°
C48	C49	O22	124.0°	90.0°
C48	C49	C50	119.8°	90.0°
C49	C48	H77	119.7°	90.0°
O22	C49	C50	116.2°	90.0°
C49	O22	FE1	112.7°	90.0°
C49	C50	O23	115.8°	90.0°
C49	C50	C51	120.1°	90.0°
O23	C50	C51	124.1°	90.0°
C50	O23	FE1	112.7°	90.0°
C50	C51	C52	120.9°	90.0°
C50	C51	H78	119.5°	90.0°
C51	C52	N16	122.5°	90.0°
C52	C51	H78	119.5°	90.0°
C52	N16	C53	119.5°	90.0°
C52	N16	C55	122.7°	90.0°
C53	N16	C55	117.8°	90.0°
N16	C53	C54	107.9°	90.0°
N16	C53	C57	109.2°	90.0°
N16	C53	H79	109.5°	90.0°
N16	C55	N17	122.0°	90.0°
C54	C53	C57	112.5°	90.0°
C53	C54	O24	116.6°	90.0°
C54	C53	H79	108.9°	90.0°
C53	C54	N1	119.9°	90.0°
C53	C57	C56	112.1°	90.0°
C57	C53	H79	108.8°	90.0°
C53	C57	H80	108.8°	90.0°
C53	C57	H81	108.8°	90.0°
O24	C54	N1	117.9°	90.0°
C55	N17	C56	124.9°	90.0°
C55	N17	H82	117.6°	90.0°
N17	C56	C57	106.7°	90.0°
C56	N17	H82	117.6°	90.0°
N17	C56	H83	110.1°	90.0°
N17	C56	H84	110.2°	90.0°
C56	C57	H80	108.8°	90.0°
C56	C57	H81	108.8°	90.0°
C57	C56	H83	110.2°	90.0°
C57	C56	H84	110.2°	90.0°
H71	C42	H72	109.5°	90.0°
H73	C43	H74	109.5°	90.0°
H80	C57	H81	109.5°	90.0°
H83	C56	H84	109.5°	90.0°
O14	FE1	O5	94.6°	90.0°
O14	FE1	O15	80.3°	90.0°
O14	FE1	O6	98.1°	90.0°
O14	FE1	O22	163.2°	90.0°
O14	FE1	O23	95.3°	90.0°
O5	FE1	O15	158.1°	90.0°
O5	FE1	O6	74.2°	90.0°
O5	FE1	O22	100.1°	90.0°
O5	FE1	O23	85.6°	90.0°
O15	FE1	O6	85.3°	90.0°
O15	FE1	O22	88.8°	90.0°
O15	FE1	O23	116.0°	90.0°
O6	FE1	O22	93.6°	90.0°
O6	FE1	O23	156.6°	90.0°
O22	FE1	O23	78.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C54	180.0°	90.0°
N1	C1	C2	C3	128.1°	90.0°
N1	C1	C2	H2	116.6°	90.0°
N1	C1	C3	H2	116.6°	90.0°
N1	C1	C2	O1	123.0°	90.0°
N1	C1	C3	O2	62.8°	90.0°
N1	C1	C3	H3	57.6°	90.0°
N1	C1	C3	H4	176.8°	90.0°
C1	N1	C54	C53	175.1°	90.0°
C1	N1	C54	O24	32.1°	90.0°
N1	C1	C2	N2	55.0°	90.0°
H1	N1	C1	C2	113.7°	90.0°
H1	N1	C1	C3	13.7°	90.0°
H1	N1	C1	H2	129.9°	90.0°
H1	N1	C54	C53	4.9°	90.0°
H1	N1	C54	O24	147.9°	90.0°
C2	C1	C3	H2	115.5°	90.0°
C1	C2	O1	N2	177.8°	90.0°
C2	C1	C3	O2	65.2°	90.0°
C2	C1	C3	H3	174.4°	90.0°
C2	C1	C3	H4	55.2°	90.0°
C1	C2	N2	C4	179.1°	90.0°
C1	C2	N2	H6	0.9°	90.0°
C2	C1	N1	C54	66.3°	90.0°
C3	C1	C2	O1	108.9°	90.0°
C1	C3	O2	H3	120.4°	90.0°
C1	C3	O2	H4	120.4°	90.0°
C1	C3	H3	H4	118.7°	90.0°
C1	C3	O2	H5	180.0°	90.0°
C3	C1	C2	N2	73.0°	90.0°
C3	C1	N1	C54	166.4°	90.0°
H2	C1	C2	O1	6.4°	90.0°
H2	C1	C3	O2	179.3°	90.0°
H2	C1	C3	H3	58.9°	90.0°
H2	C1	C3	H4	60.2°	90.0°
H2	C1	C2	N2	171.6°	90.0°
H2	C1	N1	C54	50.1°	90.0°
O1	C2	N2	C4	3.0°	90.0°
O1	C2	N2	H6	177.0°	90.0°
O2	C3	H3	H4	118.7°	90.0°
H3	C3	O2	H5	59.6°	90.0°
H4	C3	O2	H5	59.5°	90.0°
C4	N2	H6	C2	180.0°	90.0°
N2	C4	C5	C6	125.7°	90.0°
N2	C4	C5	H7	117.2°	90.0°
N2	C4	C6	H7	116.8°	90.0°
N2	C4	C5	O3	180.0°	90.0°
N2	C4	C6	C7	64.5°	90.0°
N2	C4	C6	H8	56.4°	90.0°
N2	C4	C6	H9	174.7°	90.0°
N2	C4	C5	N4	1.0°	90.0°
H6	N2	C4	C5	64.5°	90.0°
H6	N2	C4	C6	62.5°	90.0°
H6	N2	C4	H7	178.8°	90.0°
C5	C4	C6	H7	117.1°	90.0°
C4	C5	O3	N4	179.0°	90.0°
C5	C4	C6	C7	169.4°	90.0°
C5	C4	C6	H8	69.8°	90.0°
C5	C4	C6	H9	48.5°	90.0°
C4	C5	N4	C10	178.0°	90.0°
C4	C5	N4	H19	2.0°	90.0°
C5	C4	N2	C2	115.5°	90.0°
C6	C4	C5	O3	54.2°	90.0°
C4	C6	C7	H8	120.9°	90.0°
C4	C6	C7	H9	120.8°	90.0°
C4	C6	H8	H9	117.4°	90.0°
C4	C6	C7	C8	77.1°	90.0°
C4	C6	C7	H10	43.7°	90.0°
C4	C6	C7	H11	162.1°	90.0°
C6	C4	N2	C2	117.5°	90.0°
C6	C4	C5	N4	126.7°	90.0°
H7	C4	C5	O3	62.8°	90.0°
H7	C4	C6	C7	52.3°	90.0°
H7	C4	C6	H8	173.2°	90.0°
H7	C4	C6	H9	68.5°	90.0°
H7	C4	N2	C2	1.3°	90.0°
H7	C4	C5	N4	116.3°	90.0°
O3	C5	N4	C10	1.0°	90.0°
O3	C5	N4	H19	179.0°	90.0°
C7	C6	H8	H9	117.4°	90.0°
C6	C7	C8	H10	120.8°	90.0°
C6	C7	C8	H11	120.8°	90.0°
C6	C7	H10	H11	117.6°	90.0°
C6	C7	C8	C9	117.5°	90.0°
C6	C7	C8	H12	121.7°	90.0°
C6	C7	C8	H13	3.2°	90.0°
H8	C6	C7	C8	162.1°	90.0°
H8	C6	C7	H10	77.2°	90.0°
H8	C6	C7	H11	41.3°	90.0°
H9	C6	C7	C8	43.8°	90.0°
H9	C6	C7	H10	164.5°	90.0°
H9	C6	C7	H11	77.0°	90.0°
C8	C7	H10	H11	117.6°	90.0°
C7	C8	C9	H12	120.7°	90.0°
C7	C8	C9	H13	120.7°	90.0°
C7	C8	H12	H13	117.8°	90.0°
C7	C8	C9	N3	100.1°	90.0°
C7	C8	C9	H14	139.5°	90.0°
C7	C8	C9	H15	20.2°	90.0°
H10	C7	C8	C9	3.2°	90.0°
H10	C7	C8	H12	117.5°	90.0°
H10	C7	C8	H13	123.9°	90.0°
H11	C7	C8	C9	121.7°	90.0°
H11	C7	C8	H12	0.9°	90.0°
H11	C7	C8	H13	117.6°	90.0°
C9	C8	H12	H13	117.7°	90.0°
C8	C9	N3	H14	120.4°	90.0°
C8	C9	N3	H15	120.3°	90.0°
C8	C9	H14	H15	118.9°	90.0°
C8	C9	N3	H16	180.0°	90.0°
C8	C9	N3	H17	60.0°	90.0°
C8	C9	N3	H18	60.0°	90.0°
H12	C8	C9	N3	20.6°	90.0°
H12	C8	C9	H14	99.8°	90.0°
H12	C8	C9	H15	141.0°	90.0°
H13	C8	C9	N3	139.1°	90.0°
H13	C8	C9	H14	18.7°	90.0°
H13	C8	C9	H15	100.5°	90.0°
N3	C9	H14	H15	118.9°	90.0°
C9	N3	H16	H17	120.0°	90.0°
C9	N3	H16	H18	120.0°	90.0°
C9	N3	H17	H18	120.0°	90.0°
H14	C9	N3	H16	59.6°	90.0°
H14	C9	N3	H17	179.6°	90.0°
H14	C9	N3	H18	60.4°	90.0°
H15	C9	N3	H16	59.6°	90.0°
H15	C9	N3	H17	60.3°	90.0°
H15	C9	N3	H18	179.6°	90.0°
H16	N3	H17	H18	120.0°	90.0°
C10	N4	H19	C5	180.0°	90.0°
N4	C10	C11	H20	121.2°	90.0°
N4	C10	C11	H21	121.2°	90.0°
N4	C10	H20	H21	116.2°	90.0°
N4	C10	C11	O4	166.4°	90.0°
N4	C10	C11	N5	17.5°	90.0°
H19	N4	C10	C11	103.0°	90.0°
H19	N4	C10	H20	18.2°	90.0°
H19	N4	C10	H21	135.8°	90.0°
C11	C10	H20	H21	116.2°	90.0°
C10	C11	O4	N5	175.9°	90.0°
C10	C11	N5	C12	156.4°	90.0°
C10	C11	N5	H22	23.6°	90.0°
C11	C10	N4	C5	77.0°	90.0°
H20	C10	C11	O4	72.4°	90.0°
H20	C10	C11	N5	103.7°	90.0°
H20	C10	N4	C5	161.8°	90.0°
H21	C10	C11	O4	45.2°	90.0°
H21	C10	C11	N5	138.7°	90.0°
H21	C10	N4	C5	44.2°	90.0°
O4	C11	N5	C12	27.6°	90.0°
O4	C11	N5	H22	152.4°	90.0°
N5	C12	C13	C17	123.8°	90.0°
N5	C12	C13	H23	118.0°	90.0°
N5	C12	C17	H23	125.9°	90.0°
N5	C12	C13	C14	148.9°	90.0°
N5	C12	C17	O7	94.5°	90.0°
C12	N5	H22	C11	180.0°	90.0°
N5	C12	C13	H24	28.1°	90.0°
N5	C12	C13	H25	90.3°	90.0°
N5	C12	C17	N7	87.2°	90.0°
C13	C12	C17	H23	117.9°	90.0°
C12	C13	C14	H24	120.8°	90.0°
C12	C13	C14	H25	120.8°	90.0°
C12	C13	C14	C15	117.9°	90.0°
C13	C12	C17	O7	21.8°	90.0°
C13	C12	N5	H22	46.5°	90.0°
C12	C13	H24	H25	117.5°	90.0°
C12	C13	C14	H26	3.2°	90.0°
C12	C13	C14	H27	121.0°	90.0°
C13	C12	N5	C11	133.5°	90.0°
C13	C12	C17	N7	156.5°	90.0°
C17	C12	C13	C14	87.2°	90.0°
C12	C17	O7	N7	178.2°	90.0°
C17	C12	N5	H22	70.3°	90.0°
C17	C12	C13	H24	151.9°	90.0°
C17	C12	C13	H25	33.5°	90.0°
C12	C17	N7	C18	178.7°	90.0°
C12	C17	N7	H31	1.3°	90.0°
C17	C12	N5	C11	109.7°	90.0°
C13	C14	C15	H26	121.1°	90.0°
C13	C14	C15	H27	121.1°	90.0°
C13	C14	C15	N6	57.2°	90.0°
C14	C13	C12	H23	30.9°	90.0°
C14	C13	H24	H25	117.5°	90.0°
C13	C14	H26	H27	116.4°	90.0°
C13	C14	C15	H28	63.6°	90.0°
C13	C14	C15	H29	178.0°	90.0°
C14	C15	N6	H28	120.8°	90.0°
C14	C15	N6	H29	120.8°	90.0°
C14	C15	N6	O5	24.1°	90.0°
C14	C15	N6	C16	158.2°	90.0°
C15	C14	C13	H24	121.3°	90.0°
C15	C14	C13	H25	2.9°	90.0°
C15	C14	H26	H27	116.5°	90.0°
C14	C15	H28	H29	117.5°	90.0°
C15	N6	O5	C16	177.7°	90.0°
C15	N6	C16	O6	178.3°	90.0°
N6	C15	C14	H26	178.3°	90.0°
N6	C15	C14	H27	63.9°	90.0°
N6	C15	H28	H29	117.5°	90.0°
C15	N6	C16	H30	1.8°	90.0°
C15	N6	O5	FE1	155.3°	90.0°
O5	N6	C16	O6	0.4°	90.0°
O5	N6	C15	H28	96.7°	90.0°
O5	N6	C15	H29	144.9°	90.0°
O5	N6	C16	H30	179.6°	90.0°
N6	O5	FE1	O14	72.1°	90.0°
N6	O5	FE1	O15	3.3°	90.0°
N6	O5	FE1	O6	25.0°	90.0°
N6	O5	FE1	O22	115.9°	90.0°
N6	O5	FE1	O23	167.1°	90.0°
N6	C16	O6	H30	180.0°	90.0°
C16	N6	C15	H28	81.0°	90.0°
C16	N6	C15	H29	37.4°	90.0°
C16	N6	O5	FE1	22.4°	90.0°
N6	C16	O6	FE1	22.7°	90.0°
C16	O6	FE1	O14	68.0°	90.0°
C16	O6	FE1	O5	24.5°	90.0°
C16	O6	FE1	O15	147.5°	90.0°
C16	O6	FE1	O22	124.0°	90.0°
C16	O6	FE1	O23	56.2°	90.0°
O7	C17	C12	H23	139.7°	90.0°
O7	C17	N7	C18	0.4°	90.0°
O7	C17	N7	H31	179.6°	90.0°
H22	N5	C12	H23	164.0°	90.0°
H23	C12	C13	H24	89.9°	90.0°
H23	C12	C13	H25	151.7°	90.0°
H23	C12	N5	C11	16.0°	90.0°
H23	C12	C17	N7	38.6°	90.0°
H24	C13	C14	H26	117.6°	90.0°
H24	C13	C14	H27	0.2°	90.0°
H25	C13	C14	H26	124.0°	90.0°
H25	C13	C14	H27	118.3°	90.0°
H26	C14	C15	H28	57.5°	90.0°
H26	C14	C15	H29	60.9°	90.0°
H27	C14	C15	H28	175.3°	90.0°
H27	C14	C15	H29	56.9°	90.0°
H30	C16	O6	FE1	157.4°	90.0°
C18	N7	H31	C17	180.0°	90.0°
N7	C18	C19	C20	126.5°	90.0°
N7	C18	C19	H32	117.7°	90.0°
N7	C18	C20	H32	117.4°	90.0°
N7	C18	C19	O8	54.0°	90.0°
N7	C18	C20	O9	79.7°	90.0°
N7	C18	C20	H33	40.5°	90.0°
N7	C18	C20	H34	160.2°	90.0°
N7	C18	C19	N8	126.3°	90.0°
H31	N7	C18	C19	101.1°	90.0°
H31	N7	C18	C20	133.4°	90.0°
H31	N7	C18	H32	16.4°	90.0°
C19	C18	C20	H32	115.9°	90.0°
C18	C19	O8	N8	179.7°	90.0°
C19	C18	C20	O9	153.6°	90.0°
C19	C18	C20	H33	86.3°	90.0°
C19	C18	C20	H34	33.5°	90.0°
C18	C19	N8	C21	175.5°	90.0°
C18	C19	N8	H36	4.5°	90.0°
C19	C18	N7	C17	78.9°	90.0°
C20	C18	C19	O8	179.6°	90.0°
C18	C20	O9	H33	120.2°	90.0°
C18	C20	O9	H34	120.1°	90.0°
C18	C20	H33	H34	119.6°	90.0°
C18	C20	O9	H35	180.0°	90.0°
C20	C18	N7	C17	46.6°	90.0°
C20	C18	C19	N8	0.2°	90.0°
H32	C18	C19	O8	63.7°	90.0°
H32	C18	C20	O9	37.7°	90.0°
H32	C18	C20	H33	157.8°	90.0°
H32	C18	C20	H34	82.4°	90.0°
H32	C18	N7	C17	163.6°	90.0°
H32	C18	C19	N8	116.1°	90.0°
O8	C19	N8	C21	4.8°	90.0°
O8	C19	N8	H36	175.2°	90.0°
O9	C20	H33	H34	119.5°	90.0°
H33	C20	O9	H35	59.8°	90.0°
H34	C20	O9	H35	59.9°	90.0°
C21	N8	H36	C19	180.0°	90.0°
N8	C21	C22	C23	127.5°	90.0°
N8	C21	C22	H37	117.8°	90.0°
N8	C21	C23	H37	115.5°	90.0°
N8	C21	C22	O10	114.5°	90.0°
N8	C21	C23	O11	84.1°	90.0°
N8	C21	C23	H38	155.6°	90.0°
N8	C21	C23	H39	36.0°	90.0°
N8	C21	C22	N9	63.3°	90.0°
H36	N8	C21	C22	135.4°	90.0°
H36	N8	C21	C23	97.0°	90.0°
H36	N8	C21	H37	18.1°	90.0°
C22	C21	C23	H37	114.5°	90.0°
C21	C22	O10	N9	177.6°	90.0°
C22	C21	C23	O11	145.9°	90.0°
C22	C21	C23	H38	25.7°	90.0°
C22	C21	C23	H39	93.9°	90.0°
C21	C22	N9	C24	155.6°	90.0°
C21	C22	N9	H41	24.4°	90.0°
C22	C21	N8	C19	44.6°	90.0°
C23	C21	C22	O10	13.0°	90.0°
C21	C23	O11	H38	120.2°	90.0°
C21	C23	O11	H39	120.2°	90.0°
C21	C23	H38	H39	119.4°	90.0°
C21	C23	O11	H40	180.0°	90.0°
C23	C21	N8	C19	83.0°	90.0°
C23	C21	C22	N9	169.3°	90.0°
H37	C21	C22	O10	127.7°	90.0°
H37	C21	C23	O11	31.4°	90.0°
H37	C21	C23	H38	88.8°	90.0°
H37	C21	C23	H39	151.6°	90.0°
H37	C21	N8	C19	161.9°	90.0°
H37	C21	C22	N9	54.5°	90.0°
O10	C22	N9	C24	26.7°	90.0°
O10	C22	N9	H41	153.2°	90.0°
O11	C23	H38	H39	119.4°	90.0°
H38	C23	O11	H40	59.8°	90.0°
H39	C23	O11	H40	59.8°	90.0°
C24	N9	H41	C22	180.0°	90.0°
N9	C24	C25	H42	119.5°	90.0°
N9	C24	C25	H43	119.5°	90.0°
N9	C24	H42	H43	121.5°	90.0°
N9	C24	C25	O12	142.1°	90.0°
N9	C24	C25	N10	35.4°	90.0°
H41	N9	C24	C25	89.2°	90.0°
H41	N9	C24	H42	30.2°	90.0°
H41	N9	C24	H43	151.3°	90.0°
C25	C24	H42	H43	121.5°	90.0°
C24	C25	O12	N10	177.3°	90.0°
C24	C25	N10	C26	174.3°	90.0°
C24	C25	N10	H44	5.7°	90.0°
C25	C24	N9	C22	90.8°	90.0°
H42	C24	C25	O12	22.6°	90.0°
H42	C24	N9	C22	149.7°	90.0°
H42	C24	C25	N10	154.9°	90.0°
H43	C24	C25	O12	98.5°	90.0°
H43	C24	N9	C22	28.7°	90.0°
H43	C24	C25	N10	84.1°	90.0°
O12	C25	N10	C26	8.3°	90.0°
O12	C25	N10	H44	171.7°	90.0°
C26	N10	H44	C25	180.0°	90.0°
N10	C26	C27	C28	125.6°	90.0°
N10	C26	C27	H45	119.8°	90.0°
N10	C26	C28	H45	115.3°	90.0°
N10	C26	C27	O13	169.3°	90.0°
N10	C26	C28	C29	118.4°	90.0°
N10	C26	C28	H46	121.3°	90.0°
N10	C26	C28	H47	2.0°	90.0°
N10	C26	C27	N12	11.8°	90.0°
H44	N10	C26	C27	80.1°	90.0°
H44	N10	C26	C28	46.0°	90.0°
H44	N10	C26	H45	160.6°	90.0°
C27	C26	C28	H45	114.5°	90.0°
C26	C27	O13	N12	178.9°	90.0°
C27	C26	C28	C29	11.9°	90.0°
C27	C26	C28	H46	108.5°	90.0°
C27	C26	C28	H47	132.2°	90.0°
C26	C27	N12	C32	179.7°	90.0°
C26	C27	N12	H56	0.3°	90.0°
C27	C26	N10	C25	99.9°	90.0°
C28	C26	C27	O13	65.0°	90.0°
C26	C28	C29	H46	120.4°	90.0°
C26	C28	C29	H47	120.4°	90.0°
C26	C28	H46	H47	118.9°	90.0°
C26	C28	C29	C30	157.1°	90.0°
C26	C28	C29	H48	82.6°	90.0°
C26	C28	C29	H49	36.7°	90.0°
C28	C26	C27	N12	113.9°	90.0°
C28	C26	N10	C25	134.0°	90.0°
H45	C26	C27	O13	49.5°	90.0°
H45	C26	C28	C29	126.3°	90.0°
H45	C26	C28	H46	6.0°	90.0°
H45	C26	C28	H47	113.3°	90.0°
H45	C26	C27	N12	131.6°	90.0°
H45	C26	N10	C25	19.4°	90.0°
O13	C27	N12	C32	1.4°	90.0°
O13	C27	N12	H56	178.6°	90.0°
C29	C28	H46	H47	118.8°	90.0°
C28	C29	C30	H48	120.3°	90.0°
C28	C29	C30	H49	120.3°	90.0°
C28	C29	H48	H49	118.9°	90.0°
C28	C29	C30	C31	164.3°	90.0°
C28	C29	C30	H50	43.8°	90.0°
C28	C29	C30	H51	75.3°	90.0°
H46	C28	C29	C30	36.7°	90.0°
H46	C28	C29	H48	157.0°	90.0°
H46	C28	C29	H49	83.6°	90.0°
H47	C28	C29	C30	82.5°	90.0°
H47	C28	C29	H48	37.8°	90.0°
H47	C28	C29	H49	157.1°	90.0°
C30	C29	H48	H49	118.9°	90.0°
C29	C30	C31	H50	120.4°	90.0°
C29	C30	C31	H51	120.5°	90.0°
C29	C30	H50	H51	118.6°	90.0°
C29	C30	C31	N11	21.3°	90.0°
C29	C30	C31	H52	99.1°	90.0°
C29	C30	C31	H53	141.6°	90.0°
H48	C29	C30	C31	75.4°	90.0°
H48	C29	C30	H50	164.2°	90.0°
H48	C29	C30	H51	45.1°	90.0°
H49	C29	C30	C31	43.9°	90.0°
H49	C29	C30	H50	76.5°	90.0°
H49	C29	C30	H51	164.4°	90.0°
C31	C30	H50	H51	118.6°	90.0°
C30	C31	N11	H52	120.4°	90.0°
C30	C31	N11	H53	120.4°	90.0°
C30	C31	H52	H53	118.7°	90.0°
C30	C31	N11	H54	117.3°	90.0°
C30	C31	N11	H55	1.0°	90.0°
C30	C31	N11	C39	121.8°	90.0°
H50	C30	C31	N11	141.7°	90.0°
H50	C30	C31	H52	21.3°	90.0°
H50	C30	C31	H53	97.9°	90.0°
H51	C30	C31	N11	99.2°	90.0°
H51	C30	C31	H52	140.4°	90.0°
H51	C30	C31	H53	21.2°	90.0°
N11	C31	H52	H53	118.7°	90.0°
C31	N11	H54	H55	117.3°	90.0°
C31	N11	H54	C39	125.4°	90.0°
C31	N11	H55	C39	125.4°	90.0°
C31	N11	C39	C38	162.7°	90.0°
C31	N11	C39	O17	3.0°	90.0°
H52	C31	N11	H54	122.3°	90.0°
H52	C31	N11	H55	119.4°	90.0°
H52	C31	N11	C39	1.4°	90.0°
H53	C31	N11	H54	3.1°	90.0°
H53	C31	N11	H55	121.4°	90.0°
H53	C31	N11	C39	117.8°	90.0°
H54	N11	H55	C39	117.3°	90.0°
H54	N11	C39	C38	76.4°	90.0°
H54	N11	C39	O17	123.8°	90.0°
H55	N11	C39	C38	41.9°	90.0°
H55	N11	C39	O17	117.9°	90.0°
N12	C32	C33	C37	120.8°	90.0°
N12	C32	C33	H57	119.3°	90.0°
N12	C32	C37	H57	116.7°	90.0°
N12	C32	C33	C34	58.9°	90.0°
N12	C32	C37	O16	82.2°	90.0°
C32	N12	H56	C27	180.0°	90.0°
N12	C32	C33	H58	180.0°	90.0°
N12	C32	C33	H59	62.2°	90.0°
N12	C32	C37	N14	95.7°	90.0°
C33	C32	C37	H57	119.6°	90.0°
C32	C33	C34	H58	121.1°	90.0°
C32	C33	C34	H59	121.1°	90.0°
C32	C33	C34	C35	161.9°	90.0°
C33	C32	C37	O16	41.6°	90.0°
C33	C32	N12	H56	26.5°	90.0°
C32	C33	H58	H59	116.5°	90.0°
C32	C33	C34	H60	78.3°	90.0°
C32	C33	C34	H61	42.0°	90.0°
C33	C32	N12	C27	153.5°	90.0°
C33	C32	C37	N14	140.6°	90.0°
C37	C32	C33	C34	179.7°	90.0°
C32	C37	O16	N14	177.8°	90.0°
C37	C32	N12	H56	98.2°	90.0°
C37	C32	C33	H58	59.2°	90.0°
C37	C32	C33	H59	58.6°	90.0°
C32	C37	N14	C38	165.7°	90.0°
C32	C37	N14	H65	14.3°	90.0°
C37	C32	N12	C27	81.8°	90.0°
C33	C34	C35	H60	119.8°	90.0°
C33	C34	C35	H61	119.8°	90.0°
C33	C34	C35	N13	168.8°	90.0°
C34	C33	C32	H57	60.4°	90.0°
C34	C33	H58	H59	116.5°	90.0°
C33	C34	H60	H61	120.5°	90.0°
C33	C34	C35	H62	70.3°	90.0°
C33	C34	C35	H63	47.9°	90.0°
C34	C35	N13	H62	120.9°	90.0°
C34	C35	N13	H63	121.0°	90.0°
C34	C35	N13	O14	71.1°	90.0°
C34	C35	N13	C36	112.3°	90.0°
C35	C34	C33	H58	40.7°	90.0°
C35	C34	C33	H59	77.1°	90.0°
C35	C34	H60	H61	120.5°	90.0°
C34	C35	H62	H63	117.1°	90.0°
C35	N13	O14	C36	176.5°	90.0°
C35	N13	C36	O15	178.9°	90.0°
N13	C35	C34	H60	49.0°	90.0°
N13	C35	C34	H61	71.3°	90.0°
N13	C35	H62	H63	117.0°	90.0°
C35	N13	C36	H64	1.1°	90.0°
C35	N13	O14	FE1	177.5°	90.0°
O14	N13	C36	O15	2.3°	90.0°
O14	N13	C35	H62	168.0°	90.0°
O14	N13	C35	H63	49.9°	90.0°
O14	N13	C36	H64	177.8°	90.0°
N13	O14	FE1	O5	158.4°	90.0°
N13	O14	FE1	O15	0.1°	90.0°
N13	O14	FE1	O6	83.7°	90.0°
N13	O14	FE1	O22	50.2°	90.0°
N13	O14	FE1	O23	115.6°	90.0°
N13	C36	O15	H64	180.0°	90.0°
C36	N13	C35	H62	8.6°	90.0°
C36	N13	C35	H63	126.7°	90.0°
C36	N13	O14	FE1	0.9°	90.0°
N13	C36	O15	FE1	2.0°	90.0°
C36	O15	FE1	O14	1.0°	90.0°
C36	O15	FE1	O5	77.1°	90.0°
C36	O15	FE1	O6	98.1°	90.0°
C36	O15	FE1	O22	168.2°	90.0°
C36	O15	FE1	O23	92.2°	90.0°
O16	C37	C32	H57	161.2°	90.0°
O16	C37	N14	C38	12.1°	90.0°
O16	C37	N14	H65	167.9°	90.0°
H56	N12	C32	H57	145.4°	90.0°
H57	C32	C33	H58	60.7°	90.0°
H57	C32	C33	H59	178.5°	90.0°
H57	C32	N12	C27	34.6°	90.0°
H57	C32	C37	N14	21.0°	90.0°
H58	C33	C34	H60	160.5°	90.0°
H58	C33	C34	H61	79.1°	90.0°
H59	C33	C34	H60	42.7°	90.0°
H59	C33	C34	H61	163.1°	90.0°
H60	C34	C35	H62	169.9°	90.0°
H60	C34	C35	H63	71.9°	90.0°
H61	C34	C35	H62	49.6°	90.0°
H61	C34	C35	H63	167.7°	90.0°
H64	C36	O15	FE1	178.0°	90.0°
C38	N14	H65	C37	180.0°	90.0°
N14	C38	C39	C40	122.3°	90.0°
N14	C38	C39	H66	120.2°	90.0°
N14	C38	C40	H66	120.1°	90.0°
N14	C38	C39	O17	67.6°	90.0°
N14	C38	C40	O18	58.0°	90.0°
N14	C38	C40	H67	177.6°	90.0°
N14	C38	C40	H68	61.7°	90.0°
N14	C38	C39	N11	91.7°	90.0°
H65	N14	C38	C39	62.5°	90.0°
H65	N14	C38	C40	57.7°	90.0°
H65	N14	C38	H66	177.6°	90.0°
C39	C38	C40	H66	117.4°	90.0°
C38	C39	O17	N11	158.8°	90.0°
C39	C38	C40	O18	64.6°	90.0°
C39	C38	C40	H67	55.1°	90.0°
C39	C38	C40	H68	175.8°	90.0°
C39	C38	N14	C37	117.5°	90.0°
C40	C38	C39	O17	54.7°	90.0°
C38	C40	O18	H67	119.7°	90.0°
C38	C40	O18	H68	119.7°	90.0°
C38	C40	H67	H68	121.0°	90.0°
C38	C40	O18	H69	39.3°	90.0°
C40	C38	C39	N11	146.0°	90.0°
C40	C38	N14	C37	122.3°	90.0°
H66	C38	C39	O17	172.2°	90.0°
H66	C38	C40	O18	178.0°	90.0°
H66	C38	C40	H67	62.3°	90.0°
H66	C38	C40	H68	58.4°	90.0°
H66	C38	C39	N11	28.5°	90.0°
H66	C38	N14	C37	2.4°	90.0°
O18	C40	H67	H68	121.0°	90.0°
H67	C40	O18	H69	80.4°	90.0°
H68	C40	O18	H69	159.0°	90.0°
O19	C41	O20	C42	179.6°	90.0°
O19	C41	C42	C43	73.8°	90.0°
O19	C41	O20	H70	0.0°	90.0°
O19	C41	C42	H71	165.8°	90.0°
O19	C41	C42	H72	46.5°	90.0°
O20	C41	C42	C43	106.6°	90.0°
O20	C41	C42	H71	13.8°	90.0°
O20	C41	C42	H72	133.1°	90.0°
C41	C42	C43	H71	120.3°	90.0°
C41	C42	C43	H72	120.3°	90.0°
C41	C42	C43	C44	90.9°	90.0°
C42	C41	O20	H70	179.6°	90.0°
C41	C42	H71	H72	118.9°	90.0°
C41	C42	C43	H73	28.4°	90.0°
C41	C42	C43	H74	149.8°	90.0°
C42	C43	C44	H73	119.3°	90.0°
C42	C43	C44	H74	119.3°	90.0°
C42	C43	C44	O21	139.6°	90.0°
C42	C43	C44	N15	51.1°	90.0°
C43	C42	H71	H72	119.0°	90.0°
C42	C43	H73	H74	122.0°	90.0°
C43	C44	O21	N15	167.3°	90.0°
C43	C44	N15	C45	168.1°	90.0°
C44	C43	C42	H71	148.8°	90.0°
C44	C43	C42	H72	29.4°	90.0°
C44	C43	H73	H74	122.0°	90.0°
C43	C44	N15	H75	11.9°	90.0°
O21	C44	N15	C45	0.8°	90.0°
O21	C44	C43	H73	101.1°	90.0°
O21	C44	C43	H74	20.3°	90.0°
O21	C44	N15	H75	179.2°	90.0°
C44	N15	C45	H75	180.0°	90.0°
C44	N15	C45	C46	94.2°	90.0°
C44	N15	C45	C55	87.9°	90.0°
N15	C44	C43	H73	68.2°	90.0°
N15	C44	C43	H74	170.5°	90.0°
N15	C45	C46	C55	178.0°	90.0°
N15	C45	C46	C47	178.8°	90.0°
N15	C45	C55	N16	178.6°	90.0°
N15	C45	C55	N17	2.1°	90.0°
N15	C45	C46	H76	1.2°	90.0°
C45	C46	C47	H76	180.0°	90.0°
C45	C46	C47	C48	179.4°	90.0°
C45	C46	C47	C52	0.1°	90.0°
C46	C45	C55	N16	0.6°	90.0°
C46	C45	C55	N17	179.9°	90.0°
C46	C45	N15	H75	85.8°	90.0°
C55	C45	C46	C47	0.9°	90.0°
C45	C55	N16	C52	0.4°	90.0°
C45	C55	N16	C53	178.8°	90.0°
C45	C55	N16	N17	179.2°	90.0°
C45	C55	N17	C56	173.4°	90.0°
C55	C45	N15	H75	92.1°	90.0°
C55	C45	C46	H76	179.1°	90.0°
C45	C55	N17	H82	6.6°	90.0°
C46	C47	C48	C52	179.3°	90.0°
C46	C47	C48	C49	179.9°	90.0°
C46	C47	C52	C51	179.9°	90.0°
C46	C47	C52	N16	0.9°	90.0°
C46	C47	C48	H77	0.1°	90.0°
C47	C48	C49	H77	180.0°	90.0°
C47	C48	C49	O22	179.7°	90.0°
C47	C48	C49	C50	0.3°	90.0°
C48	C47	C52	C51	0.8°	90.0°
C48	C47	C52	N16	178.4°	90.0°
C48	C47	C46	H76	0.6°	90.0°
C52	C47	C48	C49	0.7°	90.0°
C47	C52	C51	C50	0.7°	90.0°
C47	C52	C51	N16	179.2°	90.0°
C47	C52	N16	C53	179.5°	90.0°
C47	C52	N16	C55	1.2°	90.0°
C52	C47	C46	H76	179.9°	90.0°
C52	C47	C48	H77	179.4°	90.0°
C47	C52	C51	H78	179.3°	90.0°
C48	C49	O22	C50	179.5°	90.0°
C48	C49	C50	O23	179.1°	90.0°
C48	C49	C50	C51	0.1°	90.0°
C48	C49	O22	FE1	163.4°	90.0°
O22	C49	C50	O23	0.4°	90.0°
O22	C49	C50	C51	179.6°	90.0°
O22	C49	C48	H77	0.3°	90.0°
C49	O22	FE1	O14	49.4°	90.0°
C49	O22	FE1	O5	101.6°	90.0°
C49	O22	FE1	O15	98.5°	90.0°
C49	O22	FE1	O6	176.2°	90.0°
C49	O22	FE1	O23	18.3°	90.0°
C49	C50	O23	C51	179.2°	90.0°
C49	C50	C51	C52	0.3°	90.0°
C50	C49	C48	H77	179.7°	90.0°
C49	C50	C51	H78	179.7°	90.0°
C50	C49	O22	FE1	16.0°	90.0°
C49	C50	O23	FE1	15.4°	90.0°
O23	C50	C51	C52	178.8°	90.0°
O23	C50	C51	H78	1.2°	90.0°
C50	O23	FE1	O14	146.3°	90.0°
C50	O23	FE1	O5	119.5°	90.0°
C50	O23	FE1	O15	64.5°	90.0°
C50	O23	FE1	O6	89.1°	90.0°
C50	O23	FE1	O22	18.2°	90.0°
C50	C51	C52	H78	180.0°	90.0°
C50	C51	C52	N16	178.6°	90.0°
C51	C50	O23	FE1	163.7°	90.0°
C51	C52	N16	C53	1.2°	90.0°
C51	C52	N16	C55	179.6°	90.0°
C52	N16	C53	C55	178.5°	90.0°
C52	N16	C53	C54	88.6°	90.0°
C52	N16	C53	C57	148.9°	90.0°
C52	N16	C55	N17	178.8°	90.0°
N16	C52	C51	H78	1.5°	90.0°
C52	N16	C53	H79	29.8°	90.0°
N16	C53	C54	C57	120.5°	90.0°
N16	C53	C54	H79	118.8°	90.0°
N16	C53	C57	H79	119.5°	90.0°
N16	C53	C54	O24	12.9°	90.0°
C53	N16	C55	N17	0.4°	90.0°
N16	C53	C57	C56	59.7°	90.0°
N16	C53	C57	H80	179.9°	90.0°
N16	C53	C57	H81	60.7°	90.0°
N16	C53	C54	N1	140.3°	90.0°
C55	N16	C53	C54	89.9°	90.0°
C55	N16	C53	C57	32.7°	90.0°
N16	C55	N17	C56	7.4°	90.0°
C55	N16	C53	H79	151.7°	90.0°
N16	C55	N17	H82	172.6°	90.0°
C54	C53	C57	H79	120.8°	90.0°
C53	C54	O24	N1	153.7°	90.0°
C54	C53	C57	C56	60.0°	90.0°
C54	C53	C57	H80	60.4°	90.0°
C54	C53	C57	H81	179.6°	90.0°
C57	C53	C54	O24	107.6°	90.0°
C53	C57	C56	N17	51.1°	90.0°
C53	C57	C56	H80	120.4°	90.0°
C53	C57	C56	H81	120.4°	90.0°
C53	C57	H80	H81	118.8°	90.0°
C53	C57	C56	H83	170.7°	90.0°
C53	C57	C56	H84	68.5°	90.0°
C57	C53	C54	N1	99.2°	90.0°
O24	C54	C53	H79	131.7°	90.0°
C55	N17	C56	H82	180.0°	90.0°
C55	N17	C56	C57	18.6°	90.0°
C55	N17	C56	H83	138.1°	90.0°
C55	N17	C56	H84	101.0°	90.0°
N17	C56	C57	H83	119.6°	90.0°
N17	C56	C57	H84	119.6°	90.0°
N17	C56	C57	H80	171.5°	90.0°
N17	C56	C57	H81	69.3°	90.0°
N17	C56	H83	H84	121.3°	90.0°
C56	C57	C53	H79	179.2°	90.0°
C56	C57	H80	H81	118.8°	90.0°
C57	C56	N17	H82	161.4°	90.0°
C57	C56	H83	H84	121.3°	90.0°
H71	C42	C43	H73	91.9°	90.0°
H71	C42	C43	H74	29.5°	90.0°
H72	C42	C43	H73	148.7°	90.0°
H72	C42	C43	H74	89.9°	90.0°
H79	C53	C57	H80	60.4°	90.0°
H79	C53	C57	H81	58.8°	90.0°
H79	C53	C54	N1	21.5°	90.0°
H80	C57	C56	H83	68.9°	90.0°
H80	C57	C56	H84	51.9°	90.0°
H81	C57	C56	H83	50.3°	90.0°
H81	C57	C56	H84	171.1°	90.0°
H82	N17	C56	H83	41.9°	90.0°
H82	N17	C56	H84	79.0°	90.0°
O14	FE1	O5	O15	75.4°	90.0°
O14	FE1	O5	O6	97.1°	90.0°
O14	FE1	O5	O22	171.9°	90.0°
O14	FE1	O5	O23	94.9°	90.0°
O14	FE1	O15	O6	99.1°	90.0°
O14	FE1	O15	O22	167.2°	90.0°
O14	FE1	O15	O23	91.2°	90.0°
O14	FE1	O6	O22	168.0°	90.0°
O14	FE1	O6	O23	124.2°	90.0°
O14	FE1	O22	O23	67.7°	90.0°
O5	FE1	O15	O6	20.9°	90.0°
O5	FE1	O15	O22	114.7°	90.0°
O5	FE1	O15	O23	169.3°	90.0°
O5	FE1	O6	O22	99.5°	90.0°
O5	FE1	O6	O23	31.6°	90.0°
O5	FE1	O22	O23	83.3°	90.0°
O15	FE1	O6	O22	88.5°	90.0°
O15	FE1	O6	O23	156.4°	90.0°
O15	FE1	O22	O23	116.9°	90.0°
O6	FE1	O22	O23	157.9°	90.0°

Release date:	2012-12-12
Last modified:	2023-09-20
Processing site:	PDBE