PRD_000728

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	0.00Å	1.51Å
N1	H1	sing	0.00Å	1.00Å
C1	C2	sing	0.00Å	1.53Å
C1	C3	sing	0.00Å	1.53Å
C1	H2	sing	0.00Å	1.10Å
C2	O1	doub	0.00Å	1.24Å
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	1.45Å
N2	H6	sing	0.00Å	1.00Å
C4	C5	sing	0.00Å	1.52Å
C4	C6	sing	0.00Å	1.53Å
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	1.53Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C9	N3	sing	0.00Å	1.51Å
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	1.46Å
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	1.24Å
N5	C12	sing	0.00Å	1.46Å
C12	C13	sing	0.00Å	1.51Å
C12	C17	sing	0.00Å	1.49Å
C13	C14	sing	0.00Å	1.51Å
C14	C15	sing	0.00Å	1.51Å
C15	N6	sing	0.00Å	1.48Å
N6	O5	sing	0.00Å	1.26Å
N6	C16	sing	0.00Å	1.27Å
C16	O6	doub	0.00Å	1.21Å
C17	O7	doub	0.00Å	1.21Å
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	1.53Å
C18	C20	sing	0.00Å	1.52Å
C18	H32	sing	0.00Å	1.10Å
C19	O8	doub	0.00Å	1.23Å
C20	O9	sing	0.00Å	1.41Å
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	1.50Å
N8	H36	sing	0.00Å	1.00Å
C21	C22	sing	0.00Å	1.54Å
C21	C23	sing	0.00Å	1.51Å
C21	H37	sing	0.00Å	1.10Å
C22	O10	doub	0.00Å	1.23Å
C23	O11	sing	0.00Å	1.42Å
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	1.54Å
C24	H42	sing	0.00Å	1.10Å
C24	H43	sing	0.00Å	1.10Å
C25	O12	doub	0.00Å	1.23Å
N10	C26	sing	0.00Å	1.45Å
N10	H44	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.52Å
C26	C30	sing	0.00Å	1.53Å
C26	H45	sing	0.00Å	1.10Å
C27	C28	sing	0.00Å	1.53Å
C27	H46	sing	0.00Å	1.10Å
C27	H47	sing	0.00Å	1.10Å
C28	C29	sing	0.00Å	1.53Å
C28	H48	sing	0.00Å	1.10Å
C28	H49	sing	0.00Å	1.10Å
C29	N11	sing	0.00Å	1.46Å
C29	H50	sing	0.00Å	1.10Å
C29	H51	sing	0.00Å	1.10Å
N11	H52	sing	0.00Å	1.00Å
C30	O13	doub	0.00Å	1.22Å
N12	C31	sing	0.00Å	1.47Å
C31	C32	sing	0.00Å	1.54Å
C31	C36	sing	0.00Å	1.49Å
C32	C33	sing	0.00Å	1.53Å
C33	C34	sing	0.00Å	1.53Å
C34	N13	sing	0.00Å	1.47Å
N13	O14	sing	0.00Å	1.23Å
N13	C35	sing	0.00Å	1.27Å
C35	O15	doub	0.00Å	1.22Å
C36	O16	doub	0.00Å	1.22Å
N12	H53	sing	0.00Å	1.00Å
C31	H54	sing	0.00Å	1.10Å
C32	H55	sing	0.00Å	1.10Å
C32	H56	sing	0.00Å	1.10Å
C33	H57	sing	0.00Å	1.10Å
C33	H58	sing	0.00Å	1.10Å
C34	H59	sing	0.00Å	1.10Å
C34	H60	sing	0.00Å	1.10Å
C35	H61	sing	0.00Å	1.08Å
N14	C37	sing	0.00Å	1.46Å
N14	H62	sing	0.00Å	1.00Å
C37	C38	sing	0.00Å	1.54Å
C37	C39	sing	0.00Å	1.52Å
C37	H63	sing	0.00Å	1.10Å
C38	O17	doub	0.00Å	1.22Å
C39	O18	sing	0.00Å	1.40Å
C39	H64	sing	0.00Å	1.10Å
C39	H65	sing	0.00Å	1.10Å
O18	H66	sing	0.00Å	0.95Å
O19	C40	doub	0.00Å	1.27Å
C40	O20	sing	0.00Å	1.26Å
C40	C41	sing	0.00Å	1.52Å
C41	C42	sing	0.00Å	1.53Å
C42	C43	sing	0.00Å	1.32Å
C43	O21	doub	0.00Å	1.23Å
C43	N15	sing	0.00Å	1.35Å
N15	C44	sing	0.00Å	1.42Å
C44	C45	doub	0.00Å	1.42Å	Aromatic
C44	C54	sing	0.00Å	1.39Å	Aromatic
C45	C46	sing	0.00Å	1.42Å	Aromatic
C46	C47	sing	0.00Å	1.39Å	Aromatic
C46	C51	doub	0.00Å	1.42Å	Aromatic
C47	C48	doub	0.00Å	1.41Å	Aromatic
C48	O22	sing	0.00Å	1.38Å
C48	C49	sing	0.00Å	1.39Å	Aromatic
C49	O23	sing	0.00Å	1.38Å
C49	C50	doub	0.00Å	1.42Å	Aromatic
C50	C51	sing	0.00Å	1.42Å	Aromatic
C51	N16	sing	0.00Å	1.37Å	Aromatic
N16	C52	sing	0.00Å	1.47Å
N16	C54	doub	0.00Å	1.39Å	Aromatic
C52	C53	sing	0.00Å	1.51Å
C52	C56	sing	0.00Å	1.53Å
C53	O24	doub	0.00Å	1.23Å
C54	N17	sing	0.00Å	1.36Å
N17	C55	sing	0.00Å	1.45Å
C55	C56	sing	0.00Å	1.52Å
O20	H67	sing	0.00Å	0.95Å
C41	H68	sing	0.00Å	1.10Å
C41	H69	sing	0.00Å	1.10Å
C42	H70	sing	0.00Å	1.10Å
C42	H71	sing	0.00Å	1.10Å
N15	H72	sing	0.00Å	1.00Å
C45	H73	sing	0.00Å	1.08Å
C47	H74	sing	0.00Å	1.08Å
C50	H75	sing	0.00Å	1.08Å
C52	H76	sing	0.00Å	1.10Å
C56	H77	sing	0.00Å	1.10Å
C56	H78	sing	0.00Å	1.10Å
N17	H79	sing	0.00Å	1.00Å
C55	H80	sing	0.00Å	1.10Å
C55	H81	sing	0.00Å	1.10Å
C2	N2	sing	0.00Å	1.33Å
C11	N5	sing	0.00Å	1.34Å
C17	N7	sing	0.00Å	1.32Å
C19	N8	sing	0.00Å	1.35Å
C22	N9	sing	0.00Å	1.34Å
C25	N10	sing	0.00Å	1.34Å
C30	N12	sing	0.00Å	1.32Å
N11	C38	sing	0.00Å	1.26Å
C36	N14	sing	0.00Å	1.33Å
N1	C53	sing	0.00Å	1.28Å
O15	FE1	sing	0.00Å	2.05Å
O14	FE1	sing	0.00Å	2.03Å
O6	FE1	sing	0.00Å	2.39Å
O5	FE1	sing	0.00Å	2.05Å
O22	FE1	sing	0.00Å	2.04Å
O23	FE1	sing	0.00Å	2.08Å
C5	N4	sing	0.00Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	119.5°	90.0°
N1	C1	C2	112.5°	90.0°
N1	C1	C3	111.4°	90.0°
N1	C1	H2	107.2°	90.0°
C1	N1	C53	120.9°	90.0°
H1	N1	C53	119.6°	90.0°
C2	C1	C3	111.7°	90.0°
C2	C1	H2	106.9°	90.0°
C1	C2	O1	120.9°	90.0°
C1	C2	N2	115.8°	90.0°
C3	C1	H2	106.9°	90.0°
C1	C3	O2	112.1°	90.0°
C1	C3	H3	108.8°	90.0°
C1	C3	H4	108.8°	90.0°
O1	C2	N2	123.3°	90.0°
O2	C3	H3	108.8°	90.0°
O2	C3	H4	108.8°	90.0°
C3	O2	H5	109.5°	90.0°
H3	C3	H4	109.4°	90.0°
C4	N2	H6	120.3°	90.0°
N2	C4	C5	113.8°	90.0°
N2	C4	C6	110.4°	90.0°
N2	C4	H7	106.9°	90.0°
C4	N2	C2	119.4°	90.0°
H6	N2	C2	120.3°	90.0°
C5	C4	C6	113.1°	90.0°
C5	C4	H7	106.0°	90.0°
C4	C5	O3	120.1°	90.0°
C4	C5	N4	116.0°	90.0°
C6	C4	H7	106.0°	90.0°
C4	C6	C7	114.2°	90.0°
C4	C6	H8	108.3°	90.0°
C4	C6	H9	108.3°	90.0°
O3	C5	N4	123.9°	90.0°
C7	C6	H8	108.3°	90.0°
C7	C6	H9	108.3°	90.0°
C6	C7	C8	115.7°	90.0°
C6	C7	H10	107.9°	90.0°
C6	C7	H11	107.9°	90.0°
H8	C6	H9	109.5°	90.0°
C8	C7	H10	107.9°	90.0°
C8	C7	H11	107.9°	90.0°
C7	C8	C9	111.3°	90.0°
C7	C8	H12	109.0°	90.0°
C7	C8	H13	109.0°	90.0°
H10	C7	H11	109.5°	90.0°
C9	C8	H12	109.0°	90.0°
C9	C8	H13	109.0°	90.0°
C8	C9	N3	114.2°	90.0°
C8	C9	H14	108.3°	90.0°
C8	C9	H15	108.3°	90.0°
H12	C8	H13	109.4°	90.0°
N3	C9	H14	108.3°	90.0°
N3	C9	H15	108.3°	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	109.4°	90.0°
C10	N4	H19	117.9°	90.0°
N4	C10	C11	113.2°	90.0°
N4	C10	H20	108.5°	90.0°
N4	C10	H21	108.5°	90.0°
C10	N4	C5	124.1°	90.0°
H19	N4	C5	118.0°	90.0°
C11	C10	H20	108.6°	90.0°
C11	C10	H21	108.6°	90.0°
C10	C11	O4	120.4°	90.0°
C10	C11	N5	116.0°	90.0°
H20	C10	H21	109.5°	90.0°
O4	C11	N5	123.6°	90.0°
N5	C12	C13	106.7°	90.0°
N5	C12	C17	116.7°	90.0°
C12	N5	H22	117.9°	90.0°
N5	C12	H23	110.3°	90.0°
C12	N5	C11	124.3°	90.0°
C13	C12	C17	103.4°	90.0°
C12	C13	C14	107.8°	90.0°
C13	C12	H23	109.6°	90.0°
C12	C13	H24	109.8°	90.0°
C12	C13	H25	109.9°	90.0°
C12	C17	O7	120.1°	90.0°
C17	C12	H23	109.8°	90.0°
C12	C17	N7	118.0°	90.0°
C13	C14	C15	117.8°	90.0°
C14	C13	H24	109.9°	90.0°
C14	C13	H25	109.9°	90.0°
C13	C14	H26	107.4°	90.0°
C13	C14	H27	107.4°	90.0°
C14	C15	N6	117.3°	90.0°
C15	C14	H26	107.3°	90.0°
C15	C14	H27	107.3°	90.0°
C14	C15	H28	107.5°	90.0°
C14	C15	H29	107.5°	90.0°
C15	N6	O5	127.9°	90.0°
C15	N6	C16	111.5°	90.0°
N6	C15	H28	107.5°	90.0°
N6	C15	H29	107.5°	90.0°
O5	N6	C16	120.6°	90.0°
N6	O5	FE1	115.4°	90.0°
N6	C16	O6	121.4°	90.0°
N6	C16	H30	119.3°	90.0°
O6	C16	H30	119.3°	90.0°
C16	O6	FE1	105.2°	90.0°
O7	C17	N7	122.0°	90.0°
H22	N5	C11	117.9°	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	118.9°	90.0°
N7	C18	C19	117.6°	90.0°
N7	C18	C20	111.3°	90.0°
N7	C18	H32	105.6°	90.0°
C18	N7	C17	122.3°	90.0°
H31	N7	C17	118.8°	90.0°
C19	C18	C20	110.7°	90.0°
C19	C18	H32	105.2°	90.0°
C18	C19	O8	119.4°	90.0°
C18	C19	N8	115.6°	90.0°
C20	C18	H32	105.3°	90.0°
C18	C20	O9	109.6°	90.0°
C18	C20	H33	109.4°	90.0°
C18	C20	H34	109.4°	90.0°
O8	C19	N8	125.0°	90.0°
O9	C20	H33	109.5°	90.0°
O9	C20	H34	109.5°	90.0°
C20	O9	H35	109.5°	90.0°
H33	C20	H34	109.4°	90.0°
C21	N8	H36	116.9°	90.0°
N8	C21	C22	118.2°	90.0°
N8	C21	C23	112.9°	90.0°
N8	C21	H37	104.4°	90.0°
C21	N8	C19	126.2°	90.0°
H36	N8	C19	116.9°	90.0°
C22	C21	C23	111.3°	90.0°
C22	C21	H37	104.0°	90.0°
C21	C22	O10	122.3°	90.0°
C21	C22	N9	114.8°	90.0°
C23	C21	H37	104.3°	90.0°
C21	C23	O11	109.3°	90.0°
C21	C23	H38	109.5°	90.0°
C21	C23	H39	109.5°	90.0°
O10	C22	N9	122.8°	90.0°
O11	C23	H38	109.5°	90.0°
O11	C23	H39	109.5°	90.0°
C23	O11	H40	109.5°	90.0°
H38	C23	H39	109.5°	90.0°
C24	N9	H41	118.0°	90.0°
N9	C24	C25	108.6°	90.0°
N9	C24	H42	109.7°	90.0°
N9	C24	H43	109.7°	90.0°
C24	N9	C22	123.9°	90.0°
H41	N9	C22	118.1°	90.0°
C25	C24	H42	109.7°	90.0°
C25	C24	H43	109.7°	90.0°
C24	C25	O12	119.9°	90.0°
C24	C25	N10	118.1°	90.0°
H42	C24	H43	109.5°	90.0°
O12	C25	N10	122.0°	90.0°
C26	N10	H44	119.5°	90.0°
N10	C26	C27	110.9°	90.0°
N10	C26	C30	116.3°	90.0°
N10	C26	H45	107.4°	90.0°
C26	N10	C25	121.0°	90.0°
H44	N10	C25	119.5°	90.0°
C27	C26	C30	108.7°	90.0°
C27	C26	H45	106.5°	90.0°
C26	C27	C28	111.8°	90.0°
C26	C27	H46	108.9°	90.0°
C26	C27	H47	108.9°	90.0°
C30	C26	H45	106.5°	90.0°
C26	C30	O13	120.1°	90.0°
C26	C30	N12	118.7°	90.0°
C28	C27	H46	108.9°	90.0°
C28	C27	H47	108.9°	90.0°
C27	C28	C29	116.0°	90.0°
C27	C28	H48	107.8°	90.0°
C27	C28	H49	107.8°	90.0°
H46	C27	H47	109.5°	90.0°
C29	C28	H48	107.8°	90.0°
C29	C28	H49	107.8°	90.0°
C28	C29	N11	113.3°	90.0°
C28	C29	H50	108.5°	90.0°
C28	C29	H51	108.5°	90.0°
H48	C28	H49	109.5°	90.0°
N11	C29	H50	108.5°	90.0°
N11	C29	H51	108.5°	90.0°
C29	N11	H52	119.2°	90.0°
C29	N11	C38	121.5°	90.0°
H50	C29	H51	109.5°	90.0°
H52	N11	C38	119.2°	90.0°
O13	C30	N12	121.2°	90.0°
N12	C31	C32	114.9°	90.0°
N12	C31	C36	100.3°	90.0°
C31	N12	H53	120.1°	90.0°
N12	C31	H54	110.3°	90.0°
C31	N12	C30	119.9°	90.0°
C32	C31	C36	111.5°	90.0°
C31	C32	C33	117.2°	90.0°
C32	C31	H54	109.4°	90.0°
C31	C32	H55	107.5°	90.0°
C31	C32	H56	107.5°	90.0°
C31	C36	O16	118.4°	90.0°
C36	C31	H54	110.1°	90.0°
C31	C36	N14	119.2°	90.0°
C32	C33	C34	108.2°	90.0°
C33	C32	H55	107.5°	90.0°
C33	C32	H56	107.5°	90.0°
C32	C33	H57	109.8°	90.0°
C32	C33	H58	109.8°	90.0°
C33	C34	N13	116.1°	90.0°
C34	C33	H57	109.8°	90.0°
C34	C33	H58	109.8°	90.0°
C33	C34	H59	107.8°	90.0°
C33	C34	H60	107.8°	90.0°
C34	N13	O14	119.4°	90.0°
C34	N13	C35	119.7°	90.0°
N13	C34	H59	107.8°	90.0°
N13	C34	H60	107.8°	90.0°
O14	N13	C35	120.9°	90.0°
N13	O14	FE1	110.0°	90.0°
N13	C35	O15	119.5°	90.0°
N13	C35	H61	120.3°	90.0°
O15	C35	H61	120.3°	90.0°
C35	O15	FE1	110.6°	90.0°
O16	C36	N14	122.4°	90.0°
H53	N12	C30	120.0°	90.0°
H55	C32	H56	109.5°	90.0°
H57	C33	H58	109.5°	90.0°
H59	C34	H60	109.5°	90.0°
C37	N14	H62	121.1°	90.0°
N14	C37	C38	110.3°	90.0°
N14	C37	C39	111.8°	90.0°
N14	C37	H63	108.4°	90.0°
C37	N14	C36	117.8°	90.0°
H62	N14	C36	121.1°	90.0°
C38	C37	C39	111.0°	90.0°
C38	C37	H63	107.5°	90.0°
C37	C38	O17	119.6°	90.0°
C37	C38	N11	116.8°	90.0°
C39	C37	H63	107.8°	90.0°
C37	C39	O18	110.7°	90.0°
C37	C39	H64	109.1°	90.0°
C37	C39	H65	109.2°	90.0°
O17	C38	N11	115.7°	90.0°
O18	C39	H64	109.1°	90.0°
O18	C39	H65	109.2°	90.0°
C39	O18	H66	109.5°	90.0°
H64	C39	H65	109.5°	90.0°
O19	C40	O20	124.0°	90.0°
O19	C40	C41	119.4°	90.0°
O20	C40	C41	116.7°	90.0°
C40	O20	H67	109.5°	90.0°
C40	C41	C42	114.3°	90.0°
C40	C41	H68	108.2°	90.0°
C40	C41	H69	108.3°	90.0°
C41	C42	C43	105.4°	90.0°
C42	C41	H68	108.2°	90.0°
C42	C41	H69	108.2°	90.0°
C41	C42	H70	110.5°	90.0°
C41	C42	H71	110.5°	90.0°
C42	C43	O21	119.5°	90.0°
C42	C43	N15	112.3°	90.0°
C43	C42	H70	110.5°	90.0°
C43	C42	H71	110.5°	90.0°
O21	C43	N15	127.3°	90.0°
C43	N15	C44	123.9°	90.0°
C43	N15	H72	118.0°	90.0°
N15	C44	C45	122.9°	90.0°
N15	C44	C54	120.2°	90.0°
C44	N15	H72	118.0°	90.0°
C45	C44	C54	116.9°	90.0°
C44	C45	C46	121.1°	90.0°
C44	C45	H73	119.4°	90.0°
C44	C54	N16	121.6°	90.0°
C44	C54	N17	116.5°	90.0°
C45	C46	C47	120.7°	90.0°
C45	C46	C51	120.0°	90.0°
C46	C45	H73	119.5°	90.0°
C47	C46	C51	119.3°	90.0°
C46	C47	C48	120.5°	90.0°
C46	C47	H74	119.7°	90.0°
C46	C51	C50	119.8°	90.0°
C46	C51	N16	117.6°	90.0°
C47	C48	O22	122.2°	90.0°
C47	C48	C49	121.3°	90.0°
C48	C47	H74	119.7°	90.0°
O22	C48	C49	116.5°	90.0°
C48	O22	FE1	113.6°	90.0°
C48	C49	O23	115.4°	90.0°
C48	C49	C50	118.7°	90.0°
O23	C49	C50	125.9°	90.0°
C49	O23	FE1	112.7°	90.0°
C49	C50	C51	120.4°	90.0°
C49	C50	H75	119.8°	90.0°
C50	C51	N16	122.6°	90.0°
C51	C50	H75	119.8°	90.0°
C51	N16	C52	119.0°	90.0°
C51	N16	C54	122.7°	90.0°
C52	N16	C54	118.3°	90.0°
N16	C52	C53	106.4°	90.0°
N16	C52	C56	109.0°	90.0°
N16	C52	H76	111.0°	90.0°
N16	C54	N17	121.9°	90.0°
C53	C52	C56	109.6°	90.0°
C52	C53	O24	118.1°	90.0°
C53	C52	H76	110.5°	90.0°
C52	C53	N1	119.5°	90.0°
C52	C56	C55	111.5°	90.0°
C56	C52	H76	110.2°	90.0°
C52	C56	H77	109.0°	90.0°
C52	C56	H78	108.9°	90.0°
O24	C53	N1	121.8°	90.0°
C54	N17	C55	124.2°	90.0°
C54	N17	H79	117.9°	90.0°
N17	C55	C56	104.4°	90.0°
C55	N17	H79	117.9°	90.0°
N17	C55	H80	110.7°	90.0°
N17	C55	H81	110.7°	90.0°
C55	C56	H77	108.9°	90.0°
C55	C56	H78	109.0°	90.0°
C56	C55	H80	110.7°	90.0°
C56	C55	H81	110.7°	90.0°
H68	C41	H69	109.5°	90.0°
H70	C42	H71	109.5°	90.0°
H77	C56	H78	109.5°	90.0°
H80	C55	H81	109.5°	90.0°
O15	FE1	O14	75.9°	90.0°
O15	FE1	O6	81.5°	90.0°
O15	FE1	O5	150.0°	90.0°
O15	FE1	O22	92.1°	90.0°
O15	FE1	O23	119.2°	90.0°
O14	FE1	O6	105.8°	90.0°
O14	FE1	O5	104.6°	90.0°
O14	FE1	O22	148.8°	90.0°
O14	FE1	O23	82.8°	90.0°
O6	FE1	O5	69.4°	90.0°
O6	FE1	O22	100.7°	90.0°
O6	FE1	O23	159.2°	90.0°
O5	FE1	O22	100.1°	90.0°
O5	FE1	O23	90.2°	90.0°
O22	FE1	O23	78.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C53	180.0°	90.0°
N1	C1	C2	C3	126.0°	90.0°
N1	C1	C2	H2	117.4°	90.0°
N1	C1	C3	H2	116.8°	90.0°
N1	C1	C2	O1	131.1°	90.0°
N1	C1	C3	O2	94.9°	90.0°
N1	C1	C3	H3	25.5°	90.0°
N1	C1	C3	H4	144.7°	90.0°
C1	N1	C53	C52	174.4°	90.0°
C1	N1	C53	O24	14.8°	90.0°
N1	C1	C2	N2	48.4°	90.0°
H1	N1	C1	C2	115.0°	90.0°
H1	N1	C1	C3	11.2°	90.0°
H1	N1	C1	H2	127.8°	90.0°
H1	N1	C53	C52	5.6°	90.0°
H1	N1	C53	O24	165.2°	90.0°
C2	C1	C3	H2	116.6°	90.0°
C1	C2	O1	N2	179.4°	90.0°
C2	C1	C3	O2	31.8°	90.0°
C2	C1	C3	H3	152.2°	90.0°
C2	C1	C3	H4	88.7°	90.0°
C1	C2	N2	C4	178.3°	90.0°
C1	C2	N2	H6	1.7°	90.0°
C2	C1	N1	C53	65.0°	90.0°
C3	C1	C2	O1	102.9°	90.0°
C1	C3	O2	H3	120.4°	90.0°
C1	C3	O2	H4	120.4°	90.0°
C1	C3	H3	H4	118.8°	90.0°
C1	C3	O2	H5	180.0°	90.0°
C3	C1	C2	N2	77.6°	90.0°
C3	C1	N1	C53	168.8°	90.0°
H2	C1	C2	O1	13.7°	90.0°
H2	C1	C3	O2	148.4°	90.0°
H2	C1	C3	H3	91.2°	90.0°
H2	C1	C3	H4	28.0°	90.0°
H2	C1	C2	N2	165.8°	90.0°
H2	C1	N1	C53	52.2°	90.0°
O1	C2	N2	C4	2.3°	90.0°
O1	C2	N2	H6	177.7°	90.0°
O2	C3	H3	H4	118.8°	90.0°
H3	C3	O2	H5	59.6°	90.0°
H4	C3	O2	H5	59.6°	90.0°
C4	N2	H6	C2	180.0°	90.0°
N2	C4	C5	C6	127.0°	90.0°
N2	C4	C5	H7	117.2°	90.0°
N2	C4	C6	H7	115.5°	90.0°
N2	C4	C5	O3	169.4°	90.0°
N2	C4	C6	C7	62.0°	90.0°
N2	C4	C6	H8	58.7°	90.0°
N2	C4	C6	H9	177.3°	90.0°
N2	C4	C5	N4	8.0°	90.0°
H6	N2	C4	C5	76.0°	90.0°
H6	N2	C4	C6	52.4°	90.0°
H6	N2	C4	H7	167.3°	90.0°
C5	C4	C6	H7	115.8°	90.0°
C4	C5	O3	N4	177.1°	90.0°
C5	C4	C6	C7	169.2°	90.0°
C5	C4	C6	H8	70.1°	90.0°
C5	C4	C6	H9	48.5°	90.0°
C4	C5	N4	C10	179.2°	90.0°
C4	C5	N4	H19	0.8°	90.0°
C5	C4	N2	C2	104.0°	90.0°
C6	C4	C5	O3	63.6°	90.0°
C4	C6	C7	H8	120.7°	90.0°
C4	C6	C7	H9	120.7°	90.0°
C4	C6	H8	H9	117.8°	90.0°
C4	C6	C7	C8	53.3°	90.0°
C4	C6	C7	H10	67.6°	90.0°
C4	C6	C7	H11	174.2°	90.0°
C6	C4	N2	C2	127.6°	90.0°
C6	C4	C5	N4	119.1°	90.0°
H7	C4	C5	O3	52.1°	90.0°
H7	C4	C6	C7	53.4°	90.0°
H7	C4	C6	H8	174.1°	90.0°
H7	C4	C6	H9	67.3°	90.0°
H7	C4	N2	C2	12.7°	90.0°
H7	C4	C5	N4	125.2°	90.0°
O3	C5	N4	C10	2.0°	90.0°
O3	C5	N4	H19	178.0°	90.0°
C7	C6	H8	H9	117.8°	90.0°
C6	C7	C8	H10	120.9°	90.0°
C6	C7	C8	H11	120.9°	90.0°
C6	C7	H10	H11	117.2°	90.0°
C6	C7	C8	C9	157.9°	90.0°
C6	C7	C8	H12	81.8°	90.0°
C6	C7	C8	H13	37.6°	90.0°
H8	C6	C7	C8	174.0°	90.0°
H8	C6	C7	H10	53.1°	90.0°
H8	C6	C7	H11	65.1°	90.0°
H9	C6	C7	C8	67.4°	90.0°
H9	C6	C7	H10	171.7°	90.0°
H9	C6	C7	H11	53.5°	90.0°
C8	C7	H10	H11	117.2°	90.0°
C7	C8	C9	H12	120.3°	90.0°
C7	C8	C9	H13	120.3°	90.0°
C7	C8	H12	H13	119.2°	90.0°
C7	C8	C9	N3	177.1°	90.0°
C7	C8	C9	H14	62.2°	90.0°
C7	C8	C9	H15	56.4°	90.0°
H10	C7	C8	C9	37.0°	90.0°
H10	C7	C8	H12	157.3°	90.0°
H10	C7	C8	H13	83.3°	90.0°
H11	C7	C8	C9	81.2°	90.0°
H11	C7	C8	H12	39.0°	90.0°
H11	C7	C8	H13	158.5°	90.0°
C9	C8	H12	H13	119.2°	90.0°
C8	C9	N3	H14	120.7°	90.0°
C8	C9	N3	H15	120.7°	90.0°
C8	C9	H14	H15	117.8°	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	56.8°	90.0°
H12	C8	C9	H14	177.5°	90.0°
H12	C8	C9	H15	63.9°	90.0°
H13	C8	C9	N3	62.7°	90.0°
H13	C8	C9	H14	58.0°	90.0°
H13	C8	C9	H15	176.7°	90.0°
N3	C9	H14	H15	117.9°	90.0°
C9	N3	H16	H17	120.0°	90.0°
C9	N3	H16	H18	120.1°	90.0°
C9	N3	H17	H18	120.0°	90.0°
H14	C9	N3	H16	59.4°	90.0°
H14	C9	N3	H17	179.3°	90.0°
H14	C9	N3	H18	60.7°	90.0°
H15	C9	N3	H16	59.3°	90.0°
H15	C9	N3	H17	60.7°	90.0°
H15	C9	N3	H18	179.3°	90.0°
H16	N3	H17	H18	120.0°	90.0°
C10	N4	H19	C5	180.0°	90.0°
N4	C10	C11	H20	120.6°	90.0°
N4	C10	C11	H21	120.5°	90.0°
N4	C10	H20	H21	118.3°	90.0°
N4	C10	C11	O4	173.7°	90.0°
N4	C10	C11	N5	5.6°	90.0°
H19	N4	C10	C11	94.5°	90.0°
H19	N4	C10	H20	26.1°	90.0°
H19	N4	C10	H21	144.9°	90.0°
C11	C10	H20	H21	118.3°	90.0°
C10	C11	O4	N5	179.2°	90.0°
C10	C11	N5	C12	173.3°	90.0°
C10	C11	N5	H22	6.7°	90.0°
C11	C10	N4	C5	85.5°	90.0°
H20	C10	C11	O4	53.1°	90.0°
H20	C10	C11	N5	126.1°	90.0°
H20	C10	N4	C5	153.9°	90.0°
H21	C10	C11	O4	65.8°	90.0°
H21	C10	C11	N5	115.0°	90.0°
H21	C10	N4	C5	35.1°	90.0°
O4	C11	N5	C12	7.5°	90.0°
O4	C11	N5	H22	172.5°	90.0°
N5	C12	C13	C17	123.6°	90.0°
N5	C12	C13	H23	119.4°	90.0°
N5	C12	C17	H23	126.4°	90.0°
N5	C12	C13	C14	135.3°	90.0°
N5	C12	C17	O7	67.3°	90.0°
C12	N5	H22	C11	180.0°	90.0°
N5	C12	C13	H24	15.5°	90.0°
N5	C12	C13	H25	104.9°	90.0°
N5	C12	C17	N7	113.4°	90.0°
C13	C12	C17	H23	116.9°	90.0°
C12	C13	C14	H24	119.7°	90.0°
C12	C13	C14	H25	119.8°	90.0°
C12	C13	C14	C15	144.1°	90.0°
C13	C12	C17	O7	49.4°	90.0°
C13	C12	N5	H22	10.2°	90.0°
C12	C13	H24	H25	120.7°	90.0°
C12	C13	C14	H26	22.9°	90.0°
C12	C13	C14	H27	94.7°	90.0°
C13	C12	N5	C11	169.8°	90.0°
C13	C12	C17	N7	129.9°	90.0°
C17	C12	C13	C14	101.1°	90.0°
C12	C17	O7	N7	179.3°	90.0°
C17	C12	N5	H22	104.7°	90.0°
C17	C12	C13	H24	139.1°	90.0°
C17	C12	C13	H25	18.6°	90.0°
C12	C17	N7	C18	176.4°	90.0°
C12	C17	N7	H31	3.6°	90.0°
C17	C12	N5	C11	75.3°	90.0°
C13	C14	C15	H26	121.2°	90.0°
C13	C14	C15	H27	121.2°	90.0°
C13	C14	C15	N6	37.9°	90.0°
C14	C13	C12	H23	15.9°	90.0°
C14	C13	H24	H25	120.8°	90.0°
C13	C14	H26	H27	116.3°	90.0°
C13	C14	C15	H28	83.2°	90.0°
C13	C14	C15	H29	159.0°	90.0°
C14	C15	N6	H28	121.1°	90.0°
C14	C15	N6	H29	121.1°	90.0°
C14	C15	N6	O5	7.4°	90.0°
C14	C15	N6	C16	174.4°	90.0°
C15	C14	C13	H24	96.2°	90.0°
C15	C14	C13	H25	24.3°	90.0°
C15	C14	H26	H27	116.2°	90.0°
C14	C15	H28	H29	116.5°	90.0°
C15	N6	O5	C16	178.0°	90.0°
C15	N6	C16	O6	178.6°	90.0°
N6	C15	C14	H26	159.1°	90.0°
N6	C15	C14	H27	83.3°	90.0°
N6	C15	H28	H29	116.5°	90.0°
C15	N6	C16	H30	1.4°	90.0°
C15	N6	O5	FE1	154.2°	90.0°
O5	N6	C16	O6	0.3°	90.0°
O5	N6	C15	H28	113.7°	90.0°
O5	N6	C15	H29	128.6°	90.0°
O5	N6	C16	H30	179.7°	90.0°
N6	O5	FE1	O15	8.4°	90.0°
N6	O5	FE1	O14	78.5°	90.0°
N6	O5	FE1	O6	23.1°	90.0°
N6	O5	FE1	O22	120.8°	90.0°
N6	O5	FE1	O23	161.1°	90.0°
N6	C16	O6	H30	180.0°	90.0°
C16	N6	C15	H28	64.5°	90.0°
C16	N6	C15	H29	53.3°	90.0°
N6	C16	O6	FE1	19.3°	90.0°
C16	N6	O5	FE1	23.8°	90.0°
C16	O6	FE1	O15	150.6°	90.0°
C16	O6	FE1	O14	77.9°	90.0°
C16	O6	FE1	O5	22.0°	90.0°
C16	O6	FE1	O22	118.9°	90.0°
C16	O6	FE1	O23	34.0°	90.0°
O7	C17	C12	H23	166.3°	90.0°
O7	C17	N7	C18	2.9°	90.0°
O7	C17	N7	H31	177.1°	90.0°
H22	N5	C12	H23	129.1°	90.0°
H23	C12	C13	H24	103.8°	90.0°
H23	C12	C13	H25	135.7°	90.0°
H23	C12	N5	C11	50.9°	90.0°
H23	C12	C17	N7	13.0°	90.0°
H24	C13	C14	H26	142.6°	90.0°
H24	C13	C14	H27	25.0°	90.0°
H25	C13	C14	H26	96.8°	90.0°
H25	C13	C14	H27	145.5°	90.0°
H26	C14	C15	H28	38.0°	90.0°
H26	C14	C15	H29	79.8°	90.0°
H27	C14	C15	H28	155.6°	90.0°
H27	C14	C15	H29	37.9°	90.0°
H30	C16	O6	FE1	160.7°	90.0°
C18	N7	H31	C17	180.0°	90.0°
N7	C18	C19	C20	129.5°	90.0°
N7	C18	C19	H32	117.2°	90.0°
N7	C18	C20	H32	114.0°	90.0°
N7	C18	C19	O8	51.8°	90.0°
N7	C18	C20	O9	87.2°	90.0°
N7	C18	C20	H33	32.8°	90.0°
N7	C18	C20	H34	152.7°	90.0°
N7	C18	C19	N8	129.3°	90.0°
H31	N7	C18	C19	125.9°	90.0°
H31	N7	C18	C20	104.9°	90.0°
H31	N7	C18	H32	8.9°	90.0°
C19	C18	C20	H32	113.2°	90.0°
C18	C19	O8	N8	178.7°	90.0°
C19	C18	C20	O9	140.0°	90.0°
C19	C18	C20	H33	100.0°	90.0°
C19	C18	C20	H34	19.9°	90.0°
C18	C19	N8	C21	174.8°	90.0°
C18	C19	N8	H36	5.3°	90.0°
C19	C18	N7	C17	54.1°	90.0°
C20	C18	C19	O8	178.6°	90.0°
C18	C20	O9	H33	120.0°	90.0°
C18	C20	O9	H34	120.0°	90.0°
C18	C20	H33	H34	119.9°	90.0°
C18	C20	O9	H35	180.0°	90.0°
C20	C18	N7	C17	75.1°	90.0°
C20	C18	C19	N8	0.2°	90.0°
H32	C18	C19	O8	65.4°	90.0°
H32	C18	C20	O9	26.8°	90.0°
H32	C18	C20	H33	146.8°	90.0°
H32	C18	C20	H34	93.3°	90.0°
H32	C18	N7	C17	171.1°	90.0°
H32	C18	C19	N8	113.5°	90.0°
O8	C19	N8	C21	6.5°	90.0°
O8	C19	N8	H36	173.5°	90.0°
O9	C20	H33	H34	120.0°	90.0°
H33	C20	O9	H35	60.0°	90.0°
H34	C20	O9	H35	60.0°	90.0°
C21	N8	H36	C19	180.0°	90.0°
N8	C21	C22	C23	133.0°	90.0°
N8	C21	C22	H37	115.2°	90.0°
N8	C21	C23	H37	112.8°	90.0°
N8	C21	C22	O10	117.6°	90.0°
N8	C21	C23	O11	100.3°	90.0°
N8	C21	C23	H38	139.7°	90.0°
N8	C21	C23	H39	19.6°	90.0°
N8	C21	C22	N9	60.0°	90.0°
H36	N8	C21	C22	138.7°	90.0°
H36	N8	C21	C23	89.0°	90.0°
H36	N8	C21	H37	23.8°	90.0°
C22	C21	C23	H37	111.6°	90.0°
C21	C22	O10	N9	177.3°	90.0°
C22	C21	C23	O11	124.0°	90.0°
C22	C21	C23	H38	4.1°	90.0°
C22	C21	C23	H39	116.0°	90.0°
C21	C22	N9	C24	154.2°	90.0°
C21	C22	N9	H41	25.8°	90.0°
C22	C21	N8	C19	41.3°	90.0°
C23	C21	C22	O10	15.5°	90.0°
C21	C23	O11	H38	120.0°	90.0°
C21	C23	O11	H39	120.0°	90.0°
C21	C23	H38	H39	120.1°	90.0°
C21	C23	O11	H40	180.0°	90.0°
C23	C21	N8	C19	91.0°	90.0°
C23	C21	C22	N9	167.0°	90.0°
H37	C21	C22	O10	127.3°	90.0°
H37	C21	C23	O11	12.4°	90.0°
H37	C21	C23	H38	107.5°	90.0°
H37	C21	C23	H39	132.4°	90.0°
H37	C21	N8	C19	156.3°	90.0°
H37	C21	C22	N9	55.2°	90.0°
O10	C22	N9	C24	28.2°	90.0°
O10	C22	N9	H41	151.8°	90.0°
O11	C23	H38	H39	120.1°	90.0°
H38	C23	O11	H40	60.0°	90.0°
H39	C23	O11	H40	60.0°	90.0°
C24	N9	H41	C22	180.0°	90.0°
N9	C24	C25	H42	119.9°	90.0°
N9	C24	C25	H43	119.9°	90.0°
N9	C24	H42	H43	120.4°	90.0°
N9	C24	C25	O12	157.8°	90.0°
N9	C24	C25	N10	21.6°	90.0°
H41	N9	C24	C25	100.0°	90.0°
H41	N9	C24	H42	19.8°	90.0°
H41	N9	C24	H43	140.1°	90.0°
C25	C24	H42	H43	120.4°	90.0°
C24	C25	O12	N10	179.4°	90.0°
C24	C25	N10	C26	173.1°	90.0°
C24	C25	N10	H44	6.9°	90.0°
C25	C24	N9	C22	80.0°	90.0°
H42	C24	C25	O12	37.9°	90.0°
H42	C24	N9	C22	160.2°	90.0°
H42	C24	C25	N10	141.4°	90.0°
H43	C24	C25	O12	82.3°	90.0°
H43	C24	N9	C22	39.9°	90.0°
H43	C24	C25	N10	98.3°	90.0°
O12	C25	N10	C26	7.5°	90.0°
O12	C25	N10	H44	172.5°	90.0°
C26	N10	H44	C25	180.0°	90.0°
N10	C26	C27	C30	129.0°	90.0°
N10	C26	C27	H45	116.6°	90.0°
N10	C26	C30	H45	119.6°	90.0°
N10	C26	C27	C28	165.8°	90.0°
N10	C26	C27	H46	45.4°	90.0°
N10	C26	C27	H47	73.9°	90.0°
N10	C26	C30	O13	152.2°	90.0°
N10	C26	C30	N12	28.3°	90.0°
H44	N10	C26	C27	38.5°	90.0°
H44	N10	C26	C30	86.3°	90.0°
H44	N10	C26	H45	154.6°	90.0°
C27	C26	C30	H45	114.4°	90.0°
C26	C27	C28	H46	120.4°	90.0°
C26	C27	C28	H47	120.4°	90.0°
C26	C27	H46	H47	119.0°	90.0°
C26	C27	C28	C29	131.0°	90.0°
C26	C27	C28	H48	10.0°	90.0°
C26	C27	C28	H49	108.1°	90.0°
C27	C26	C30	O13	81.8°	90.0°
C27	C26	N10	C25	141.5°	90.0°
C27	C26	C30	N12	97.7°	90.0°
C30	C26	C27	C28	65.2°	90.0°
C30	C26	C27	H46	174.4°	90.0°
C30	C26	C27	H47	55.1°	90.0°
C26	C30	O13	N12	179.5°	90.0°
C26	C30	N12	C31	174.4°	90.0°
C26	C30	N12	H53	5.6°	90.0°
C30	C26	N10	C25	93.7°	90.0°
H45	C26	C27	C28	49.2°	90.0°
H45	C26	C27	H46	71.2°	90.0°
H45	C26	C27	H47	169.5°	90.0°
H45	C26	C30	O13	32.6°	90.0°
H45	C26	N10	C25	25.4°	90.0°
H45	C26	C30	N12	147.9°	90.0°
C28	C27	H46	H47	118.9°	90.0°
C27	C28	C29	H48	121.0°	90.0°
C27	C28	C29	H49	121.0°	90.0°
C27	C28	H48	H49	117.0°	90.0°
C27	C28	C29	N11	45.7°	90.0°
C27	C28	C29	H50	166.2°	90.0°
C27	C28	C29	H51	74.9°	90.0°
H46	C27	C28	C29	108.7°	90.0°
H46	C27	C28	H48	130.4°	90.0°
H46	C27	C28	H49	12.3°	90.0°
H47	C27	C28	C29	10.6°	90.0°
H47	C27	C28	H48	110.3°	90.0°
H47	C27	C28	H49	131.6°	90.0°
C29	C28	H48	H49	117.0°	90.0°
C28	C29	N11	H50	120.5°	90.0°
C28	C29	N11	H51	120.6°	90.0°
C28	C29	H50	H51	118.3°	90.0°
C28	C29	N11	H52	49.5°	90.0°
C28	C29	N11	C38	130.4°	90.0°
H48	C28	C29	N11	75.3°	90.0°
H48	C28	C29	H50	45.3°	90.0°
H48	C28	C29	H51	164.2°	90.0°
H49	C28	C29	N11	166.6°	90.0°
H49	C28	C29	H50	72.8°	90.0°
H49	C28	C29	H51	46.1°	90.0°
N11	C29	H50	H51	118.3°	90.0°
C29	N11	H52	C38	180.0°	90.0°
C29	N11	C38	C37	162.8°	90.0°
C29	N11	C38	O17	13.9°	90.0°
H50	C29	N11	H52	170.1°	90.0°
H50	C29	N11	C38	9.9°	90.0°
H51	C29	N11	H52	71.0°	90.0°
H51	C29	N11	C38	109.0°	90.0°
H52	N11	C38	C37	17.2°	90.0°
H52	N11	C38	O17	166.1°	90.0°
O13	C30	N12	C31	5.1°	90.0°
O13	C30	N12	H53	174.9°	90.0°
N12	C31	C32	C36	113.2°	90.0°
N12	C31	C32	H54	124.7°	90.0°
N12	C31	C36	H54	116.3°	90.0°
N12	C31	C32	C33	50.4°	90.0°
N12	C31	C36	O16	71.8°	90.0°
C31	N12	H53	C30	180.0°	90.0°
N12	C31	C32	H55	171.5°	90.0°
N12	C31	C32	H56	70.7°	90.0°
N12	C31	C36	N14	106.3°	90.0°
C32	C31	C36	H54	121.6°	90.0°
C31	C32	C33	H55	121.1°	90.0°
C31	C32	C33	H56	121.1°	90.0°
C31	C32	C33	C34	172.1°	90.0°
C32	C31	C36	O16	50.3°	90.0°
C32	C31	N12	H53	29.7°	90.0°
C31	C32	H55	H56	116.5°	90.0°
C31	C32	C33	H57	52.3°	90.0°
C31	C32	C33	H58	68.1°	90.0°
C32	C31	N12	C30	150.3°	90.0°
C32	C31	C36	N14	131.5°	90.0°
C36	C31	C32	C33	163.6°	90.0°
C31	C36	O16	N14	178.1°	90.0°
C36	C31	N12	H53	90.0°	90.0°
C36	C31	C32	H55	75.3°	90.0°
C36	C31	C32	H56	42.5°	90.0°
C31	C36	N14	C37	159.6°	90.0°
C31	C36	N14	H62	20.4°	90.0°
C36	C31	N12	C30	90.0°	90.0°
C32	C33	C34	H57	119.8°	90.0°
C32	C33	C34	H58	119.8°	90.0°
C32	C33	C34	N13	169.8°	90.0°
C33	C32	C31	H54	74.3°	90.0°
C33	C32	H55	H56	116.5°	90.0°
C32	C33	H57	H58	120.6°	90.0°
C32	C33	C34	H59	48.9°	90.0°
C32	C33	C34	H60	69.2°	90.0°
C33	C34	N13	H59	121.0°	90.0°
C33	C34	N13	H60	121.0°	90.0°
C33	C34	N13	O14	74.7°	90.0°
C33	C34	N13	C35	108.1°	90.0°
C34	C33	C32	H55	66.8°	90.0°
C34	C33	C32	H56	51.0°	90.0°
C34	C33	H57	H58	120.6°	90.0°
C33	C34	H59	H60	117.0°	90.0°
C34	N13	O14	C35	177.2°	90.0°
C34	N13	C35	O15	178.2°	90.0°
N13	C34	C33	H57	70.4°	90.0°
N13	C34	C33	H58	50.0°	90.0°
N13	C34	H59	H60	117.0°	90.0°
C34	N13	C35	H61	1.8°	90.0°
C34	N13	O14	FE1	164.6°	90.0°
O14	N13	C35	O15	1.0°	90.0°
O14	N13	C34	H59	164.4°	90.0°
O14	N13	C34	H60	46.3°	90.0°
O14	N13	C35	H61	179.0°	90.0°
N13	O14	FE1	O15	14.3°	90.0°
N13	O14	FE1	O6	62.5°	90.0°
N13	O14	FE1	O5	134.8°	90.0°
N13	O14	FE1	O22	84.2°	90.0°
N13	O14	FE1	O23	136.9°	90.0°
N13	C35	O15	H61	180.0°	90.0°
C35	N13	C34	H59	12.9°	90.0°
C35	N13	C34	H60	131.0°	90.0°
N13	C35	O15	FE1	14.0°	90.0°
C35	N13	O14	FE1	12.6°	90.0°
C35	O15	FE1	O14	15.0°	90.0°
C35	O15	FE1	O6	93.7°	90.0°
C35	O15	FE1	O5	79.8°	90.0°
C35	O15	FE1	O22	165.8°	90.0°
C35	O15	FE1	O23	88.2°	90.0°
O16	C36	C31	H54	171.9°	90.0°
O16	C36	N14	C37	18.5°	90.0°
O16	C36	N14	H62	161.5°	90.0°
H53	N12	C31	H54	153.9°	90.0°
H54	C31	C32	H55	46.8°	90.0°
H54	C31	C32	H56	164.6°	90.0°
H54	C31	N12	C30	26.1°	90.0°
H54	C31	C36	N14	9.9°	90.0°
H55	C32	C33	H57	173.4°	90.0°
H55	C32	C33	H58	53.0°	90.0°
H56	C32	C33	H57	68.8°	90.0°
H56	C32	C33	H58	170.8°	90.0°
H57	C33	C34	H59	168.7°	90.0°
H57	C33	C34	H60	50.6°	90.0°
H58	C33	C34	H59	70.9°	90.0°
H58	C33	C34	H60	171.0°	90.0°
H61	C35	O15	FE1	166.0°	90.0°
C37	N14	H62	C36	180.0°	90.0°
N14	C37	C38	C39	124.4°	90.0°
N14	C37	C38	H63	117.9°	90.0°
N14	C37	C39	H63	119.0°	90.0°
N14	C37	C38	O17	81.1°	90.0°
N14	C37	C39	O18	64.4°	90.0°
N14	C37	C39	H64	175.4°	90.0°
N14	C37	C39	H65	55.8°	90.0°
N14	C37	C38	N11	66.5°	90.0°
H62	N14	C37	C38	74.1°	90.0°
H62	N14	C37	C39	49.9°	90.0°
H62	N14	C37	H63	168.5°	90.0°
C38	C37	C39	H63	117.5°	90.0°
C37	C38	O17	N11	148.0°	90.0°
C38	C37	C39	O18	59.1°	90.0°
C38	C37	C39	H64	61.0°	90.0°
C38	C37	C39	H65	179.4°	90.0°
C38	C37	N14	C36	105.9°	90.0°
C39	C37	C38	O17	43.3°	90.0°
C37	C39	O18	H64	120.2°	90.0°
C37	C39	O18	H65	120.2°	90.0°
C37	C39	H64	H65	119.4°	90.0°
C37	C39	O18	H66	37.0°	90.0°
C39	C37	C38	N11	169.0°	90.0°
C39	C37	N14	C36	130.1°	90.0°
H63	C37	C38	O17	160.9°	90.0°
H63	C37	C39	O18	176.6°	90.0°
H63	C37	C39	H64	56.4°	90.0°
H63	C37	C39	H65	63.2°	90.0°
H63	C37	C38	N11	51.4°	90.0°
H63	C37	N14	C36	11.5°	90.0°
O18	C39	H64	H65	119.4°	90.0°
H64	C39	O18	H66	83.2°	90.0°
H65	C39	O18	H66	157.2°	90.0°
O19	C40	O20	C41	178.9°	90.0°
O19	C40	C41	C42	69.8°	90.0°
O19	C40	O20	H67	0.0°	90.0°
O19	C40	C41	H68	169.5°	90.0°
O19	C40	C41	H69	50.9°	90.0°
O20	C40	C41	C42	111.3°	90.0°
O20	C40	C41	H68	9.4°	90.0°
O20	C40	C41	H69	128.0°	90.0°
C40	C41	C42	H68	120.7°	90.0°
C40	C41	C42	H69	120.7°	90.0°
C40	C41	C42	C43	76.9°	90.0°
C41	C40	O20	H67	178.9°	90.0°
C40	C41	H68	H69	117.8°	90.0°
C40	C41	C42	H70	42.4°	90.0°
C40	C41	C42	H71	163.7°	90.0°
C41	C42	C43	H70	119.3°	90.0°
C41	C42	C43	H71	119.3°	90.0°
C41	C42	C43	O21	149.5°	90.0°
C41	C42	C43	N15	40.6°	90.0°
C42	C41	H68	H69	117.8°	90.0°
C41	C42	H70	H71	121.9°	90.0°
C42	C43	O21	N15	168.2°	90.0°
C42	C43	N15	C44	169.2°	90.0°
C43	C42	C41	H68	162.4°	90.0°
C43	C42	C41	H69	43.8°	90.0°
C43	C42	H70	H71	121.9°	90.0°
C42	C43	N15	H72	10.8°	90.0°
O21	C43	N15	C44	0.3°	90.0°
O21	C43	C42	H70	91.2°	90.0°
O21	C43	C42	H71	30.2°	90.0°
O21	C43	N15	H72	179.7°	90.0°
C43	N15	C44	H72	180.0°	90.0°
C43	N15	C44	C45	95.1°	90.0°
C43	N15	C44	C54	85.2°	90.0°
N15	C43	C42	H70	78.7°	90.0°
N15	C43	C42	H71	160.0°	90.0°
N15	C44	C45	C54	179.7°	90.0°
N15	C44	C45	C46	180.0°	90.0°
N15	C44	C54	N16	179.3°	90.0°
N15	C44	C54	N17	0.1°	90.0°
N15	C44	C45	H73	0.0°	90.0°
C44	C45	C46	H73	180.0°	90.0°
C44	C45	C46	C47	179.7°	90.0°
C44	C45	C46	C51	0.7°	90.0°
C45	C44	C54	N16	0.4°	90.0°
C45	C44	C54	N17	179.8°	90.0°
C45	C44	N15	H72	84.9°	90.0°
C54	C44	C45	C46	0.3°	90.0°
C44	C54	N16	C51	0.8°	90.0°
C44	C54	N16	C52	180.0°	90.0°
C44	C54	N16	N17	179.3°	90.0°
C44	C54	N17	C55	177.9°	90.0°
C54	C44	N15	H72	94.8°	90.0°
C54	C44	C45	H73	179.7°	90.0°
C44	C54	N17	H79	2.1°	90.0°
C45	C46	C47	C51	179.7°	90.0°
C45	C46	C47	C48	179.6°	90.0°
C45	C46	C51	C50	179.9°	90.0°
C45	C46	C51	N16	0.3°	90.0°
C45	C46	C47	H74	0.4°	90.0°
C46	C47	C48	H74	180.0°	90.0°
C46	C47	C48	O22	179.4°	90.0°
C46	C47	C48	C49	0.1°	90.0°
C47	C46	C51	C50	0.4°	90.0°
C47	C46	C51	N16	180.0°	90.0°
C47	C46	C45	H73	0.3°	90.0°
C51	C46	C47	C48	0.0°	90.0°
C46	C51	C50	C49	0.8°	90.0°
C46	C51	C50	N16	179.6°	90.0°
C46	C51	N16	C52	179.6°	90.0°
C46	C51	N16	C54	0.5°	90.0°
C51	C46	C45	H73	179.4°	90.0°
C51	C46	C47	H74	180.0°	90.0°
C46	C51	C50	H75	179.2°	90.0°
C47	C48	O22	C49	179.5°	90.0°
C47	C48	C49	O23	179.3°	90.0°
C47	C48	C49	C50	0.3°	90.0°
C47	C48	O22	FE1	165.3°	90.0°
O22	C48	C49	O23	0.2°	90.0°
O22	C48	C49	C50	179.8°	90.0°
O22	C48	C47	H74	0.6°	90.0°
C48	O22	FE1	O15	103.3°	90.0°
C48	O22	FE1	O14	37.6°	90.0°
C48	O22	FE1	O6	174.9°	90.0°
C48	O22	FE1	O5	104.2°	90.0°
C48	O22	FE1	O23	16.1°	90.0°
C48	C49	O23	C50	179.6°	90.0°
C48	C49	C50	C51	0.8°	90.0°
C49	C48	C47	H74	179.9°	90.0°
C48	C49	C50	H75	179.3°	90.0°
C49	C48	O22	FE1	14.1°	90.0°
C48	C49	O23	FE1	13.5°	90.0°
O23	C49	C50	C51	178.8°	90.0°
O23	C49	C50	H75	1.2°	90.0°
C49	O23	FE1	O15	69.8°	90.0°
C49	O23	FE1	O14	139.1°	90.0°
C49	O23	FE1	O6	105.1°	90.0°
C49	O23	FE1	O5	116.2°	90.0°
C49	O23	FE1	O22	16.0°	90.0°
C49	C50	C51	H75	180.0°	90.0°
C49	C50	C51	N16	179.6°	90.0°
C50	C49	O23	FE1	166.1°	90.0°
C50	C51	N16	C52	0.0°	90.0°
C50	C51	N16	C54	179.2°	90.0°
C51	N16	C52	C54	179.2°	90.0°
C51	N16	C52	C53	89.4°	90.0°
C51	N16	C52	C56	152.5°	90.0°
C51	N16	C54	N17	179.8°	90.0°
N16	C51	C50	H75	0.4°	90.0°
C51	N16	C52	H76	30.9°	90.0°
N16	C52	C53	C56	117.8°	90.0°
N16	C52	C53	H76	120.6°	90.0°
N16	C52	C56	H76	122.1°	90.0°
N16	C52	C53	O24	26.9°	90.0°
C52	N16	C54	N17	0.7°	90.0°
N16	C52	C56	C55	59.5°	90.0°
N16	C52	C56	H77	179.8°	90.0°
N16	C52	C56	H78	60.8°	90.0°
N16	C52	C53	N1	144.3°	90.0°
C54	N16	C52	C53	89.8°	90.0°
C54	N16	C52	C56	28.3°	90.0°
N16	C54	N17	C55	2.7°	90.0°
C54	N16	C52	H76	149.9°	90.0°
N16	C54	N17	H79	177.2°	90.0°
C53	C52	C56	H76	121.8°	90.0°
C52	C53	O24	N1	171.0°	90.0°
C53	C52	C56	C55	56.6°	90.0°
C53	C52	C56	H77	63.7°	90.0°
C53	C52	C56	H78	176.9°	90.0°
C56	C52	C53	O24	90.9°	90.0°
C52	C56	C55	N17	58.8°	90.0°
C52	C56	C55	H77	120.3°	90.0°
C52	C56	C55	H78	120.3°	90.0°
C52	C56	H77	H78	119.1°	90.0°
C52	C56	C55	H80	178.0°	90.0°
C52	C56	C55	H81	60.4°	90.0°
C56	C52	C53	N1	97.9°	90.0°
O24	C53	C52	H76	147.5°	90.0°
C54	N17	C55	H79	180.0°	90.0°
C54	N17	C55	C56	31.3°	90.0°
C54	N17	C55	H80	150.5°	90.0°
C54	N17	C55	H81	87.9°	90.0°
N17	C55	C56	H80	119.2°	90.0°
N17	C55	C56	H81	119.2°	90.0°
N17	C55	C56	H77	179.1°	90.0°
N17	C55	C56	H78	61.5°	90.0°
N17	C55	H80	H81	122.3°	90.0°
C55	C56	C52	H76	178.4°	90.0°
C55	C56	H77	H78	119.1°	90.0°
C56	C55	N17	H79	148.7°	90.0°
C56	C55	H80	H81	122.3°	90.0°
H68	C41	C42	H70	78.2°	90.0°
H68	C41	C42	H71	43.1°	90.0°
H69	C41	C42	H70	163.2°	90.0°
H69	C41	C42	H71	75.5°	90.0°
H76	C52	C56	H77	58.1°	90.0°
H76	C52	C56	H78	61.3°	90.0°
H76	C52	C53	N1	23.7°	90.0°
H77	C56	C55	H80	61.7°	90.0°
H77	C56	C55	H81	59.9°	90.0°
H78	C56	C55	H80	57.7°	90.0°
H78	C56	C55	H81	179.3°	90.0°
H79	N17	C55	H80	29.5°	90.0°
H79	N17	C55	H81	92.1°	90.0°
O15	FE1	O14	O6	76.8°	90.0°
O15	FE1	O14	O5	149.0°	90.0°
O15	FE1	O14	O22	70.0°	90.0°
O15	FE1	O14	O23	122.7°	90.0°
O15	FE1	O6	O5	172.6°	90.0°
O15	FE1	O6	O22	90.5°	90.0°
O15	FE1	O6	O23	175.4°	90.0°
O15	FE1	O5	O22	112.4°	90.0°
O15	FE1	O5	O23	169.5°	90.0°
O15	FE1	O22	O23	119.4°	90.0°
O14	FE1	O6	O5	100.0°	90.0°
O14	FE1	O6	O22	163.2°	90.0°
O14	FE1	O6	O23	111.9°	90.0°
O14	FE1	O5	O22	160.6°	90.0°
O14	FE1	O5	O23	82.6°	90.0°
O14	FE1	O22	O23	53.7°	90.0°
O6	FE1	O5	O22	97.7°	90.0°
O6	FE1	O5	O23	175.8°	90.0°
O6	FE1	O22	O23	158.8°	90.0°
O5	FE1	O22	O23	88.1°	90.0°

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