PRD_000726

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	1.54Å
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	1.42Å
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	1.48Å
N2	H6	sing	0.00Å	1.00Å
C4	C5	sing	0.00Å	1.51Å
C4	C6	sing	0.00Å	1.53Å
C4	H7	sing	0.00Å	1.10Å
C5	O3	doub	0.00Å	1.25Å
C6	C7	sing	0.00Å	1.54Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.53Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.51Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C9	N3	sing	0.00Å	1.48Å
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	1.51Å
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	1.45Å
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	1.24Å
N6	C16	sing	0.00Å	1.27Å
C16	O6	doub	0.00Å	1.23Å
C17	O7	doub	0.00Å	1.23Å
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	1.56Å
C18	H32	sing	0.00Å	1.10Å
C19	O8	doub	0.00Å	1.23Å
C20	C21	sing	0.00Å	1.56Å
C20	H33	sing	0.00Å	1.10Å
C20	H34	sing	0.00Å	1.10Å
C21	C22	sing	0.00Å	1.57Å
C21	H35	sing	0.00Å	1.10Å
C21	H36	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.53Å
C22	H37	sing	0.00Å	1.10Å
C22	H38	sing	0.00Å	1.10Å
C23	N8	sing	0.00Å	1.51Å
C23	H39	sing	0.00Å	1.10Å
C23	H40	sing	0.00Å	1.10Å
N8	H41	sing	0.00Å	1.00Å
N8	H42	sing	0.00Å	1.00Å
N9	C24	sing	0.00Å	1.48Å
C24	C25	sing	0.00Å	1.53Å
C24	C29	sing	0.00Å	1.52Å
C25	C26	sing	0.00Å	1.53Å
C26	C27	sing	0.00Å	1.52Å
C27	N10	sing	0.00Å	1.45Å
N10	O9	sing	0.00Å	1.20Å
N10	C28	sing	0.00Å	1.25Å
C28	O10	doub	0.00Å	1.22Å
C29	O11	doub	0.00Å	1.24Å
N9	H43	sing	0.00Å	1.00Å
C24	H44	sing	0.00Å	1.10Å
C25	H45	sing	0.00Å	1.10Å
C25	H46	sing	0.00Å	1.10Å
C26	H47	sing	0.00Å	1.10Å
C26	H48	sing	0.00Å	1.10Å
C27	H49	sing	0.00Å	1.10Å
C27	H50	sing	0.00Å	1.10Å
C28	H51	sing	0.00Å	1.08Å
N11	C30	sing	0.00Å	1.47Å
N11	H52	sing	0.00Å	1.00Å
C30	C31	sing	0.00Å	1.53Å
C30	C32	sing	0.00Å	1.54Å
C30	H53	sing	0.00Å	1.10Å
C31	O12	doub	0.00Å	1.24Å
C32	O13	sing	0.00Å	1.42Å
C32	H54	sing	0.00Å	1.10Å
C32	H55	sing	0.00Å	1.10Å
O13	H56	sing	0.00Å	0.95Å
O14	C33	doub	0.00Å	1.26Å
C33	O15	sing	0.00Å	1.26Å
C33	C34	sing	0.00Å	1.51Å
C34	C35	sing	0.00Å	1.53Å
C35	C36	sing	0.00Å	1.26Å
C36	O16	doub	0.00Å	1.25Å
C36	N12	sing	0.00Å	1.35Å
N12	C37	sing	0.00Å	1.43Å
C37	C38	doub	0.00Å	1.40Å	Aromatic
C37	C47	sing	0.00Å	1.40Å	Aromatic
C38	C39	sing	0.00Å	1.40Å	Aromatic
C39	C40	sing	0.00Å	1.40Å	Aromatic
C39	C44	doub	0.00Å	1.40Å	Aromatic
C40	C41	doub	0.00Å	1.41Å	Aromatic
C41	O17	sing	0.00Å	1.36Å
C41	C42	sing	0.00Å	1.35Å	Aromatic
C42	O18	sing	0.00Å	1.34Å
C42	C43	doub	0.00Å	1.39Å	Aromatic
C43	C44	sing	0.00Å	1.41Å	Aromatic
C44	N13	sing	0.00Å	1.35Å	Aromatic
N13	C45	sing	0.00Å	1.46Å
N13	C47	doub	0.00Å	1.38Å	Aromatic
C45	C46	sing	0.00Å	1.49Å
C45	C49	sing	0.00Å	1.52Å
C46	O19	doub	0.00Å	1.22Å
C47	N14	sing	0.00Å	1.38Å
N14	C48	sing	0.00Å	1.46Å
C48	C49	sing	0.00Å	1.52Å
O15	H57	sing	0.00Å	0.95Å
C34	H58	sing	0.00Å	1.10Å
C34	H59	sing	0.00Å	1.10Å
C35	H60	sing	0.00Å	1.10Å
C35	H61	sing	0.00Å	1.10Å
N12	H62	sing	0.00Å	1.00Å
C38	H63	sing	0.00Å	1.08Å
C40	H64	sing	0.00Å	1.08Å
C43	H65	sing	0.00Å	1.08Å
C45	H66	sing	0.00Å	1.10Å
C49	H67	sing	0.00Å	1.10Å
C49	H68	sing	0.00Å	1.10Å
N14	H69	sing	0.00Å	1.00Å
C48	H70	sing	0.00Å	1.10Å
C48	H71	sing	0.00Å	1.10Å
C2	N2	sing	0.00Å	1.35Å
C11	N5	sing	0.00Å	1.33Å
C17	N7	sing	0.00Å	1.33Å
N8	C31	sing	0.00Å	1.28Å
C19	N9	sing	0.00Å	1.33Å
C29	N11	sing	0.00Å	1.33Å
N1	C46	sing	0.00Å	1.26Å
O17	FE1	sing	0.00Å	2.03Å
O18	FE1	sing	0.00Å	2.04Å
O5	FE1	sing	0.00Å	2.02Å
O9	FE1	sing	0.00Å	2.03Å
O6	FE1	sing	0.00Å	2.04Å
O10	FE1	sing	0.00Å	1.99Å
C5	N4	sing	0.00Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	120.7°	90.0°
N1	C1	C2	110.5°	90.0°
N1	C1	C3	111.0°	90.0°
N1	C1	H2	107.5°	90.0°
C1	N1	C46	118.6°	90.0°
H1	N1	C46	120.7°	90.0°
C2	C1	C3	113.2°	90.0°
C2	C1	H2	107.1°	90.0°
C1	C2	O1	119.1°	90.0°
C1	C2	N2	116.5°	90.0°
C3	C1	H2	107.1°	90.0°
C1	C3	O2	111.6°	90.0°
C1	C3	H3	109.0°	90.0°
C1	C3	H4	108.9°	90.0°
O1	C2	N2	124.4°	90.0°
O2	C3	H3	108.9°	90.0°
O2	C3	H4	109.0°	90.0°
C3	O2	H5	109.5°	90.0°
H3	C3	H4	109.4°	90.0°
C4	N2	H6	118.3°	90.0°
N2	C4	C5	113.1°	90.0°
N2	C4	C6	111.3°	90.0°
N2	C4	H7	108.0°	90.0°
C4	N2	C2	123.4°	90.0°
H6	N2	C2	118.3°	90.0°
C5	C4	C6	109.1°	90.0°
C5	C4	H7	107.6°	90.0°
C4	C5	O3	121.5°	90.0°
C4	C5	N4	114.4°	90.0°
C6	C4	H7	107.3°	90.0°
C4	C6	C7	114.3°	90.0°
C4	C6	H8	108.2°	90.0°
C4	C6	H9	108.2°	90.0°
O3	C5	N4	124.1°	90.0°
C7	C6	H8	108.3°	90.0°
C7	C6	H9	108.2°	90.0°
C6	C7	C8	114.6°	90.0°
C6	C7	H10	108.2°	90.0°
C6	C7	H11	108.2°	90.0°
H8	C6	H9	109.5°	90.0°
C8	C7	H10	108.2°	90.0°
C8	C7	H11	108.2°	90.0°
C7	C8	C9	109.6°	90.0°
C7	C8	H12	109.5°	90.0°
C7	C8	H13	109.4°	90.0°
H10	C7	H11	109.5°	90.0°
C9	C8	H12	109.4°	90.0°
C9	C8	H13	109.4°	90.0°
C8	C9	N3	112.7°	90.0°
C8	C9	H14	108.7°	90.0°
C8	C9	H15	108.7°	90.0°
H12	C8	H13	109.5°	90.0°
N3	C9	H14	108.6°	90.0°
N3	C9	H15	108.6°	90.0°
C9	N3	H16	109.5°	90.0°
C9	N3	H17	109.5°	90.0°
C9	N3	H18	109.4°	90.0°
H14	C9	H15	109.4°	90.0°
H16	N3	H17	109.5°	90.0°
H16	N3	H18	109.5°	90.0°
H17	N3	H18	109.5°	90.0°
C10	N4	H19	118.6°	90.0°
N4	C10	C11	115.4°	90.0°
N4	C10	H20	107.9°	90.0°
N4	C10	H21	108.0°	90.0°
C10	N4	C5	122.8°	90.0°
H19	N4	C5	118.6°	90.0°
C11	C10	H20	108.0°	90.0°
C11	C10	H21	107.9°	90.0°
C10	C11	O4	119.6°	90.0°
C10	C11	N5	117.6°	90.0°
H20	C10	H21	109.5°	90.0°
O4	C11	N5	122.7°	90.0°
N5	C12	C13	109.6°	90.0°
N5	C12	C17	118.8°	90.0°
C12	N5	H22	120.5°	90.0°
N5	C12	H23	105.1°	90.0°
C12	N5	C11	118.9°	90.0°
C13	C12	C17	113.0°	90.0°
C12	C13	C14	112.0°	90.0°
C13	C12	H23	104.2°	90.0°
C12	C13	H24	108.8°	90.0°
C12	C13	H25	108.8°	90.0°
C12	C17	O7	119.2°	90.0°
C17	C12	H23	104.5°	90.0°
C12	C17	N7	119.2°	90.0°
C13	C14	C15	117.9°	90.0°
C14	C13	H24	108.9°	90.0°
C14	C13	H25	108.8°	90.0°
C13	C14	H26	107.3°	90.0°
C13	C14	H27	107.3°	90.0°
C14	C15	N6	115.3°	90.0°
C15	C14	H26	107.3°	90.0°
C15	C14	H27	107.3°	90.0°
C14	C15	H28	108.0°	90.0°
C14	C15	H29	108.0°	90.0°
C15	N6	O5	119.7°	90.0°
C15	N6	C16	123.1°	90.0°
N6	C15	H28	108.0°	90.0°
N6	C15	H29	108.0°	90.0°
O5	N6	C16	117.1°	90.0°
N6	O5	FE1	113.1°	90.0°
N6	C16	O6	118.1°	90.0°
N6	C16	H30	120.9°	90.0°
O6	C16	H30	120.9°	90.0°
C16	O6	FE1	112.6°	90.0°
O7	C17	N7	121.7°	90.0°
H22	N5	C11	120.6°	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	119.4°	90.0°
N7	C18	C19	114.8°	90.0°
N7	C18	C20	114.2°	90.0°
N7	C18	H32	105.8°	90.0°
C18	N7	C17	121.2°	90.0°
H31	N7	C17	119.4°	90.0°
C19	C18	C20	110.5°	90.0°
C19	C18	H32	105.4°	90.0°
C18	C19	O8	119.3°	90.0°
C18	C19	N9	118.7°	90.0°
C20	C18	H32	105.1°	90.0°
C18	C20	C21	116.9°	90.0°
C18	C20	H33	107.6°	90.0°
C18	C20	H34	107.6°	90.0°
O8	C19	N9	122.0°	90.0°
C21	C20	H33	107.6°	90.0°
C21	C20	H34	107.6°	90.0°
C20	C21	C22	116.1°	90.0°
C20	C21	H35	107.8°	90.0°
C20	C21	H36	107.8°	90.0°
H33	C20	H34	109.5°	90.0°
C22	C21	H35	107.8°	90.0°
C22	C21	H36	107.8°	90.0°
C21	C22	C23	110.1°	90.0°
C21	C22	H37	109.3°	90.0°
C21	C22	H38	109.3°	90.0°
H35	C21	H36	109.4°	90.0°
C23	C22	H37	109.3°	90.0°
C23	C22	H38	109.3°	90.0°
C22	C23	N8	117.8°	90.0°
C22	C23	H39	107.4°	90.0°
C22	C23	H40	107.4°	90.0°
H37	C22	H38	109.5°	90.0°
N8	C23	H39	107.4°	90.0°
N8	C23	H40	107.4°	90.0°
C23	N8	H41	105.2°	90.0°
C23	N8	H42	105.2°	90.0°
C23	N8	C31	126.0°	90.0°
H39	C23	H40	109.5°	90.0°
H41	N8	H42	109.5°	90.0°
H41	N8	C31	105.2°	90.0°
H42	N8	C31	105.2°	90.0°
N9	C24	C25	115.7°	90.0°
N9	C24	C29	108.7°	90.0°
C24	N9	H43	121.1°	90.0°
N9	C24	H44	105.6°	90.0°
C24	N9	C19	117.8°	90.0°
C25	C24	C29	115.5°	90.0°
C24	C25	C26	105.7°	90.0°
C25	C24	H44	105.0°	90.0°
C24	C25	H45	110.4°	90.0°
C24	C25	H46	110.4°	90.0°
C24	C29	O11	120.8°	90.0°
C29	C24	H44	105.1°	90.0°
C24	C29	N11	116.2°	90.0°
C25	C26	C27	111.2°	90.0°
C26	C25	H45	110.4°	90.0°
C26	C25	H46	110.4°	90.0°
C25	C26	H47	109.0°	90.0°
C25	C26	H48	109.0°	90.0°
C26	C27	N10	111.9°	90.0°
C27	C26	H47	109.0°	90.0°
C27	C26	H48	109.0°	90.0°
C26	C27	H49	108.8°	90.0°
C26	C27	H50	108.8°	90.0°
C27	N10	O9	122.1°	90.0°
C27	N10	C28	117.5°	90.0°
N10	C27	H49	108.9°	90.0°
N10	C27	H50	108.9°	90.0°
O9	N10	C28	120.4°	90.0°
N10	O9	FE1	100.0°	90.0°
N10	C28	O10	125.2°	90.0°
N10	C28	H51	117.4°	90.0°
O10	C28	H51	117.4°	90.0°
C28	O10	FE1	98.1°	90.0°
O11	C29	N11	123.0°	90.0°
H43	N9	C19	121.1°	90.0°
H45	C25	H46	109.5°	90.0°
H47	C26	H48	109.5°	90.0°
H49	C27	H50	109.5°	90.0°
C30	N11	H52	119.2°	90.0°
N11	C30	C31	109.0°	90.0°
N11	C30	C32	110.3°	90.0°
N11	C30	H53	109.8°	90.0°
C30	N11	C29	121.6°	90.0°
H52	N11	C29	119.2°	90.0°
C31	C30	C32	109.8°	90.0°
C31	C30	H53	109.0°	90.0°
C30	C31	O12	118.1°	90.0°
C30	C31	N8	123.1°	90.0°
C32	C30	H53	108.8°	90.0°
C30	C32	O13	110.8°	90.0°
C30	C32	H54	109.1°	90.0°
C30	C32	H55	109.1°	90.0°
O12	C31	N8	118.1°	90.0°
O13	C32	H54	109.1°	90.0°
O13	C32	H55	109.1°	90.0°
C32	O13	H56	109.5°	90.0°
H54	C32	H55	109.5°	90.0°
O14	C33	O15	124.1°	90.0°
O14	C33	C34	117.7°	90.0°
O15	C33	C34	118.2°	90.0°
C33	O15	H57	109.5°	90.0°
C33	C34	C35	111.8°	90.0°
C33	C34	H58	108.9°	90.0°
C33	C34	H59	108.9°	90.0°
C34	C35	C36	94.7°	90.0°
C35	C34	H58	108.9°	90.0°
C35	C34	H59	108.9°	90.0°
C34	C35	H60	113.0°	90.0°
C34	C35	H61	113.0°	90.0°
C35	C36	O16	103.9°	90.0°
C35	C36	N12	130.8°	90.0°
C36	C35	H60	113.0°	90.0°
C36	C35	H61	113.0°	90.0°
O16	C36	N12	125.2°	90.0°
C36	N12	C37	121.7°	90.0°
C36	N12	H62	119.2°	90.0°
N12	C37	C38	122.6°	90.0°
N12	C37	C47	121.1°	90.0°
C37	N12	H62	119.2°	90.0°
C38	C37	C47	116.3°	90.0°
C37	C38	C39	121.3°	90.0°
C37	C38	H63	119.3°	90.0°
C37	C47	N13	121.3°	90.0°
C37	C47	N14	119.1°	90.0°
C38	C39	C40	121.3°	90.0°
C38	C39	C44	120.6°	90.0°
C39	C38	H63	119.4°	90.0°
C40	C39	C44	118.1°	90.0°
C39	C40	C41	120.6°	90.0°
C39	C40	H64	119.7°	90.0°
C39	C44	C43	120.6°	90.0°
C39	C44	N13	117.7°	90.0°
C40	C41	O17	125.2°	90.0°
C40	C41	C42	120.4°	90.0°
C41	C40	H64	119.7°	90.0°
O17	C41	C42	114.4°	90.0°
C41	O17	FE1	119.3°	90.0°
C41	C42	O18	112.2°	90.0°
C41	C42	C43	120.8°	90.0°
O18	C42	C43	126.9°	90.0°
C42	O18	FE1	120.7°	90.0°
C42	C43	C44	119.4°	90.0°
C42	C43	H65	120.3°	90.0°
C43	C44	N13	121.7°	90.0°
C44	C43	H65	120.3°	90.0°
C44	N13	C45	118.5°	90.0°
C44	N13	C47	122.9°	90.0°
C45	N13	C47	118.7°	90.0°
N13	C45	C46	110.9°	90.0°
N13	C45	C49	105.6°	90.0°
N13	C45	H66	109.9°	90.0°
N13	C47	N14	119.7°	90.0°
C46	C45	C49	111.9°	90.0°
C45	C46	O19	117.5°	90.0°
C46	C45	H66	109.4°	90.0°
C45	C46	N1	105.7°	90.0°
C45	C49	C48	111.1°	90.0°
C49	C45	H66	109.1°	90.0°
C45	C49	H67	109.1°	90.0°
C45	C49	H68	109.0°	90.0°
O19	C46	N1	121.5°	90.0°
C47	N14	C48	123.4°	90.0°
C47	N14	H69	118.3°	90.0°
N14	C48	C49	107.7°	90.0°
C48	N14	H69	118.3°	90.0°
N14	C48	H70	109.9°	90.0°
N14	C48	H71	109.9°	90.0°
C48	C49	H67	109.1°	90.0°
C48	C49	H68	109.1°	90.0°
C49	C48	H70	109.9°	90.0°
C49	C48	H71	109.9°	90.0°
H58	C34	H59	109.5°	90.0°
H60	C35	H61	109.5°	90.0°
H67	C49	H68	109.5°	90.0°
H70	C48	H71	109.5°	90.0°
O17	FE1	O18	72.9°	90.0°
O17	FE1	O5	93.0°	90.0°
O17	FE1	O9	143.3°	90.0°
O17	FE1	O6	111.9°	90.0°
O17	FE1	O10	77.2°	90.0°
O18	FE1	O5	96.5°	90.0°
O18	FE1	O9	82.4°	90.0°
O18	FE1	O6	168.2°	90.0°
O18	FE1	O10	96.3°	90.0°
O5	FE1	O9	116.8°	90.0°
O5	FE1	O6	72.9°	90.0°
O5	FE1	O10	160.8°	90.0°
O9	FE1	O6	97.7°	90.0°
O9	FE1	O10	79.1°	90.0°
O6	FE1	O10	95.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C46	180.0°	90.0°
N1	C1	C2	C3	125.2°	90.0°
N1	C1	C2	H2	116.9°	90.0°
N1	C1	C3	H2	117.1°	90.0°
N1	C1	C2	O1	111.6°	90.0°
N1	C1	C3	O2	139.8°	90.0°
N1	C1	C3	H3	19.5°	90.0°
N1	C1	C3	H4	99.8°	90.0°
C1	N1	C46	C45	176.4°	90.0°
C1	N1	C46	O19	46.2°	90.0°
N1	C1	C2	N2	66.5°	90.0°
H1	N1	C1	C2	92.0°	90.0°
H1	N1	C1	C3	34.5°	90.0°
H1	N1	C1	H2	151.4°	90.0°
H1	N1	C46	C45	3.6°	90.0°
H1	N1	C46	O19	133.8°	90.0°
C2	C1	C3	H2	117.9°	90.0°
C1	C2	O1	N2	178.0°	90.0°
C2	C1	C3	O2	14.8°	90.0°
C2	C1	C3	H3	105.5°	90.0°
C2	C1	C3	H4	135.2°	90.0°
C1	C2	N2	C4	171.9°	90.0°
C1	C2	N2	H6	8.1°	90.0°
C2	C1	N1	C46	88.0°	90.0°
C3	C1	C2	O1	123.1°	90.0°
C1	C3	O2	H3	120.4°	90.0°
C1	C3	O2	H4	120.3°	90.0°
C1	C3	H3	H4	119.0°	90.0°
C1	C3	O2	H5	180.0°	90.0°
C3	C1	C2	N2	58.7°	90.0°
C3	C1	N1	C46	145.5°	90.0°
H2	C1	C2	O1	5.3°	90.0°
H2	C1	C3	O2	103.0°	90.0°
H2	C1	C3	H3	136.6°	90.0°
H2	C1	C3	H4	17.3°	90.0°
H2	C1	C2	N2	176.6°	90.0°
H2	C1	N1	C46	28.6°	90.0°
O1	C2	N2	C4	6.1°	90.0°
O1	C2	N2	H6	173.9°	90.0°
O2	C3	H3	H4	119.0°	90.0°
H3	C3	O2	H5	59.7°	90.0°
H4	C3	O2	H5	59.6°	90.0°
C4	N2	H6	C2	180.0°	90.0°
N2	C4	C5	C6	124.5°	90.0°
N2	C4	C5	H7	119.3°	90.0°
N2	C4	C6	H7	118.0°	90.0°
N2	C4	C5	O3	179.2°	90.0°
N2	C4	C6	C7	61.9°	90.0°
N2	C4	C6	H8	58.8°	90.0°
N2	C4	C6	H9	177.4°	90.0°
N2	C4	C5	N4	1.9°	90.0°
H6	N2	C4	C5	59.4°	90.0°
H6	N2	C4	C6	63.9°	90.0°
H6	N2	C4	H7	178.5°	90.0°
C5	C4	C6	H7	116.4°	90.0°
C4	C5	O3	N4	178.7°	90.0°
C5	C4	C6	C7	172.5°	90.0°
C5	C4	C6	H8	66.7°	90.0°
C5	C4	C6	H9	51.8°	90.0°
C4	C5	N4	C10	175.4°	90.0°
C4	C5	N4	H19	4.6°	90.0°
C5	C4	N2	C2	120.6°	90.0°
C6	C4	C5	O3	56.2°	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	70.3°	90.0°
C4	C6	C7	H10	50.5°	90.0°
C4	C6	C7	H11	169.0°	90.0°
C6	C4	N2	C2	116.1°	90.0°
C6	C4	C5	N4	122.6°	90.0°
H7	C4	C5	O3	60.0°	90.0°
H7	C4	C6	C7	56.1°	90.0°
H7	C4	C6	H8	176.9°	90.0°
H7	C4	C6	H9	64.6°	90.0°
H7	C4	N2	C2	1.5°	90.0°
H7	C4	C5	N4	121.2°	90.0°
O3	C5	N4	C10	5.8°	90.0°
O3	C5	N4	H19	174.2°	90.0°
C7	C6	H8	H9	117.8°	90.0°
C6	C7	C8	H10	120.8°	90.0°
C6	C7	C8	H11	120.8°	90.0°
C6	C7	H10	H11	117.7°	90.0°
C6	C7	C8	C9	126.9°	90.0°
C6	C7	C8	H12	113.1°	90.0°
C6	C7	C8	H13	6.9°	90.0°
H8	C6	C7	C8	169.0°	90.0°
H8	C6	C7	H10	70.2°	90.0°
H8	C6	C7	H11	48.3°	90.0°
H9	C6	C7	C8	50.4°	90.0°
H9	C6	C7	H10	171.2°	90.0°
H9	C6	C7	H11	70.3°	90.0°
C8	C7	H10	H11	117.6°	90.0°
C7	C8	C9	H12	120.0°	90.0°
C7	C8	C9	H13	120.0°	90.0°
C7	C8	H12	H13	120.0°	90.0°
C7	C8	C9	N3	154.3°	90.0°
C7	C8	C9	H14	85.2°	90.0°
C7	C8	C9	H15	33.8°	90.0°
H10	C7	C8	C9	6.2°	90.0°
H10	C7	C8	H12	126.2°	90.0°
H10	C7	C8	H13	113.8°	90.0°
H11	C7	C8	C9	112.3°	90.0°
H11	C7	C8	H12	7.7°	90.0°
H11	C7	C8	H13	127.7°	90.0°
C9	C8	H12	H13	120.0°	90.0°
C8	C9	N3	H14	120.5°	90.0°
C8	C9	N3	H15	120.5°	90.0°
C8	C9	H14	H15	118.5°	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	34.3°	90.0°
H12	C8	C9	H14	154.8°	90.0°
H12	C8	C9	H15	86.2°	90.0°
H13	C8	C9	N3	85.7°	90.0°
H13	C8	C9	H14	34.8°	90.0°
H13	C8	C9	H15	153.8°	90.0°
N3	C9	H14	H15	118.5°	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	59.5°	90.0°
H14	C9	N3	H17	179.5°	90.0°
H14	C9	N3	H18	60.5°	90.0°
H15	C9	N3	H16	59.5°	90.0°
H15	C9	N3	H17	60.5°	90.0°
H15	C9	N3	H18	179.5°	90.0°
H16	N3	H17	H18	120.0°	90.0°
C10	N4	H19	C5	180.0°	90.0°
N4	C10	C11	H20	120.9°	90.0°
N4	C10	C11	H21	120.9°	90.0°
N4	C10	H20	H21	117.3°	90.0°
N4	C10	C11	O4	163.4°	90.0°
N4	C10	C11	N5	20.1°	90.0°
H19	N4	C10	C11	92.7°	90.0°
H19	N4	C10	H20	28.1°	90.0°
H19	N4	C10	H21	146.4°	90.0°
C11	C10	H20	H21	117.3°	90.0°
C10	C11	O4	N5	176.3°	90.0°
C10	C11	N5	C12	155.6°	90.0°
C10	C11	N5	H22	24.4°	90.0°
C11	C10	N4	C5	87.3°	90.0°
H20	C10	C11	O4	75.7°	90.0°
H20	C10	C11	N5	100.7°	90.0°
H20	C10	N4	C5	151.9°	90.0°
H21	C10	C11	O4	42.5°	90.0°
H21	C10	C11	N5	141.0°	90.0°
H21	C10	N4	C5	33.6°	90.0°
O4	C11	N5	C12	28.1°	90.0°
O4	C11	N5	H22	151.9°	90.0°
N5	C12	C13	C17	135.0°	90.0°
N5	C12	C13	H23	112.1°	90.0°
N5	C12	C17	H23	116.8°	90.0°
N5	C12	C13	C14	133.9°	90.0°
N5	C12	C17	O7	154.4°	90.0°
C12	N5	H22	C11	180.0°	90.0°
N5	C12	C13	H24	13.5°	90.0°
N5	C12	C13	H25	105.8°	90.0°
N5	C12	C17	N7	26.1°	90.0°
C13	C12	C17	H23	112.7°	90.0°
C12	C13	C14	H24	120.4°	90.0°
C12	C13	C14	H25	120.4°	90.0°
C12	C13	C14	C15	160.3°	90.0°
C13	C12	C17	O7	75.0°	90.0°
C13	C12	N5	H22	51.3°	90.0°
C12	C13	H24	H25	118.8°	90.0°
C12	C13	C14	H26	78.5°	90.0°
C12	C13	C14	H27	39.1°	90.0°
C13	C12	N5	C11	128.7°	90.0°
C13	C12	C17	N7	104.4°	90.0°
C17	C12	C13	C14	91.1°	90.0°
C12	C17	O7	N7	179.5°	90.0°
C17	C12	N5	H22	80.7°	90.0°
C17	C12	C13	H24	148.5°	90.0°
C17	C12	C13	H25	29.2°	90.0°
C12	C17	N7	C18	177.0°	90.0°
C12	C17	N7	H31	2.9°	90.0°
C17	C12	N5	C11	99.3°	90.0°
C13	C14	C15	H26	121.2°	90.0°
C13	C14	C15	H27	121.2°	90.0°
C13	C14	C15	N6	44.1°	90.0°
C14	C13	C12	H23	21.8°	90.0°
C14	C13	H24	H25	118.8°	90.0°
C13	C14	H26	H27	116.2°	90.0°
C13	C14	C15	H28	164.9°	90.0°
C13	C14	C15	H29	76.7°	90.0°
C14	C15	N6	H28	120.8°	90.0°
C14	C15	N6	H29	120.8°	90.0°
C14	C15	N6	O5	86.1°	90.0°
C14	C15	N6	C16	95.9°	90.0°
C15	C14	C13	H24	39.9°	90.0°
C15	C14	C13	H25	79.3°	90.0°
C15	C14	H26	H27	116.2°	90.0°
C14	C15	H28	H29	117.4°	90.0°
C15	N6	O5	C16	178.1°	90.0°
C15	N6	C16	O6	179.7°	90.0°
N6	C15	C14	H26	77.1°	90.0°
N6	C15	C14	H27	165.3°	90.0°
N6	C15	H28	H29	117.4°	90.0°
C15	N6	C16	H30	0.3°	90.0°
C15	N6	O5	FE1	162.1°	90.0°
O5	N6	C16	O6	1.7°	90.0°
O5	N6	C15	H28	153.0°	90.0°
O5	N6	C15	H29	34.7°	90.0°
O5	N6	C16	H30	178.3°	90.0°
N6	O5	FE1	O17	132.8°	90.0°
N6	O5	FE1	O18	154.0°	90.0°
N6	O5	FE1	O9	69.3°	90.0°
N6	O5	FE1	O6	20.8°	90.0°
N6	O5	FE1	O10	74.5°	90.0°
N6	C16	O6	H30	180.0°	90.0°
C16	N6	C15	H28	24.9°	90.0°
C16	N6	C15	H29	143.3°	90.0°
C16	N6	O5	FE1	19.8°	90.0°
N6	C16	O6	FE1	17.0°	90.0°
C16	O6	FE1	O17	106.2°	90.0°
C16	O6	FE1	O18	6.1°	90.0°
C16	O6	FE1	O5	19.9°	90.0°
C16	O6	FE1	O9	95.9°	90.0°
C16	O6	FE1	O10	175.5°	90.0°
O7	C17	C12	H23	37.7°	90.0°
O7	C17	N7	C18	2.4°	90.0°
O7	C17	N7	H31	177.6°	90.0°
H22	N5	C12	H23	162.8°	90.0°
H23	C12	C13	H24	98.6°	90.0°
H23	C12	C13	H25	142.1°	90.0°
H23	C12	N5	C11	17.2°	90.0°
H23	C12	C17	N7	142.9°	90.0°
H24	C13	C14	H26	161.1°	90.0°
H24	C13	C14	H27	81.3°	90.0°
H25	C13	C14	H26	41.9°	90.0°
H25	C13	C14	H27	159.5°	90.0°
H26	C14	C15	H28	43.8°	90.0°
H26	C14	C15	H29	162.1°	90.0°
H27	C14	C15	H28	73.9°	90.0°
H27	C14	C15	H29	44.5°	90.0°
H30	C16	O6	FE1	163.0°	90.0°
C18	N7	H31	C17	180.0°	90.0°
N7	C18	C19	C20	131.0°	90.0°
N7	C18	C19	H32	116.0°	90.0°
N7	C18	C20	H32	115.4°	90.0°
N7	C18	C19	O8	117.9°	90.0°
N7	C18	C20	C21	164.7°	90.0°
N7	C18	C20	H33	74.2°	90.0°
N7	C18	C20	H34	43.7°	90.0°
N7	C18	C19	N9	63.7°	90.0°
H31	N7	C18	C19	75.3°	90.0°
H31	N7	C18	C20	155.5°	90.0°
H31	N7	C18	H32	40.5°	90.0°
C19	C18	C20	H32	113.3°	90.0°
C18	C19	O8	N9	178.3°	90.0°
C19	C18	C20	C21	33.4°	90.0°
C19	C18	C20	H33	154.5°	90.0°
C19	C18	C20	H34	87.6°	90.0°
C18	C19	N9	C24	178.6°	90.0°
C18	C19	N9	H43	1.4°	90.0°
C19	C18	N7	C17	104.7°	90.0°
C20	C18	C19	O8	111.1°	90.0°
C18	C20	C21	H33	121.1°	90.0°
C18	C20	C21	H34	121.1°	90.0°
C18	C20	H33	H34	116.7°	90.0°
C18	C20	C21	C22	48.0°	90.0°
C18	C20	C21	H35	169.0°	90.0°
C18	C20	C21	H36	73.0°	90.0°
C20	C18	N7	C17	24.5°	90.0°
C20	C18	C19	N9	67.2°	90.0°
H32	C18	C19	O8	1.9°	90.0°
H32	C18	C20	C21	79.9°	90.0°
H32	C18	C20	H33	41.2°	90.0°
H32	C18	C20	H34	159.1°	90.0°
H32	C18	N7	C17	139.5°	90.0°
H32	C18	C19	N9	179.7°	90.0°
O8	C19	N9	C24	0.3°	90.0°
O8	C19	N9	H43	179.7°	90.0°
C21	C20	H33	H34	116.6°	90.0°
C20	C21	C22	H35	121.0°	90.0°
C20	C21	C22	H36	121.0°	90.0°
C20	C21	H35	H36	117.0°	90.0°
C20	C21	C22	C23	171.0°	90.0°
C20	C21	C22	H37	51.0°	90.0°
C20	C21	C22	H38	68.9°	90.0°
H33	C20	C21	C22	73.1°	90.0°
H33	C20	C21	H35	47.9°	90.0°
H33	C20	C21	H36	165.9°	90.0°
H34	C20	C21	C22	169.1°	90.0°
H34	C20	C21	H35	70.0°	90.0°
H34	C20	C21	H36	48.1°	90.0°
C22	C21	H35	H36	117.0°	90.0°
C21	C22	C23	H37	120.1°	90.0°
C21	C22	C23	H38	120.1°	90.0°
C21	C22	H37	H38	119.7°	90.0°
C21	C22	C23	N8	141.4°	90.0°
C21	C22	C23	H39	97.4°	90.0°
C21	C22	C23	H40	20.2°	90.0°
H35	C21	C22	C23	68.0°	90.0°
H35	C21	C22	H37	172.0°	90.0°
H35	C21	C22	H38	52.1°	90.0°
H36	C21	C22	C23	50.1°	90.0°
H36	C21	C22	H37	70.0°	90.0°
H36	C21	C22	H38	170.2°	90.0°
C23	C22	H37	H38	119.7°	90.0°
C22	C23	N8	H39	121.2°	90.0°
C22	C23	N8	H40	121.2°	90.0°
C22	C23	H39	H40	116.2°	90.0°
C22	C23	N8	H41	83.7°	90.0°
C22	C23	N8	H42	160.7°	90.0°
C22	C23	N8	C31	38.5°	90.0°
H37	C22	C23	N8	21.3°	90.0°
H37	C22	C23	H39	142.5°	90.0°
H37	C22	C23	H40	99.8°	90.0°
H38	C22	C23	N8	98.5°	90.0°
H38	C22	C23	H39	22.7°	90.0°
H38	C22	C23	H40	140.3°	90.0°
N8	C23	H39	H40	116.2°	90.0°
C23	N8	H41	H42	112.6°	90.0°
C23	N8	H41	C31	134.8°	90.0°
C23	N8	H42	C31	134.8°	90.0°
C23	N8	C31	C30	87.9°	90.0°
C23	N8	C31	O12	101.5°	90.0°
H39	C23	N8	H41	37.5°	90.0°
H39	C23	N8	H42	78.1°	90.0°
H39	C23	N8	C31	159.7°	90.0°
H40	C23	N8	H41	155.1°	90.0°
H40	C23	N8	H42	39.5°	90.0°
H40	C23	N8	C31	82.7°	90.0°
H41	N8	H42	C31	112.6°	90.0°
H41	N8	C31	C30	150.0°	90.0°
H41	N8	C31	O12	20.7°	90.0°
H42	N8	C31	C30	34.4°	90.0°
H42	N8	C31	O12	136.3°	90.0°
N9	C24	C25	C29	128.7°	90.0°
N9	C24	C25	H44	116.0°	90.0°
N9	C24	C29	H44	112.7°	90.0°
N9	C24	C25	C26	101.7°	90.0°
N9	C24	C29	O11	77.7°	90.0°
C24	N9	H43	C19	180.0°	90.0°
N9	C24	C25	H45	138.8°	90.0°
N9	C24	C25	H46	17.7°	90.0°
N9	C24	C29	N11	99.7°	90.0°
C25	C24	C29	H44	115.3°	90.0°
C24	C25	C26	H45	119.4°	90.0°
C24	C25	C26	H46	119.4°	90.0°
C24	C25	C26	C27	167.7°	90.0°
C25	C24	C29	O11	54.4°	90.0°
C25	C24	N9	H43	13.1°	90.0°
C24	C25	H45	H46	121.7°	90.0°
C24	C25	C26	H47	47.4°	90.0°
C24	C25	C26	H48	72.1°	90.0°
C25	C24	N9	C19	166.9°	90.0°
C25	C24	C29	N11	128.3°	90.0°
C29	C24	C25	C26	129.5°	90.0°
C24	C29	O11	N11	177.2°	90.0°
C29	C24	N9	H43	118.9°	90.0°
C29	C24	C25	H45	10.1°	90.0°
C29	C24	C25	H46	111.0°	90.0°
C24	C29	N11	C30	174.8°	90.0°
C24	C29	N11	H52	5.3°	90.0°
C29	C24	N9	C19	61.1°	90.0°
C25	C26	C27	H47	120.3°	90.0°
C25	C26	C27	H48	120.2°	90.0°
C25	C26	C27	N10	129.6°	90.0°
C26	C25	C24	H44	14.2°	90.0°
C26	C25	H45	H46	121.7°	90.0°
C25	C26	H47	H48	119.2°	90.0°
C25	C26	C27	H49	110.0°	90.0°
C25	C26	C27	H50	9.3°	90.0°
C26	C27	N10	H49	120.4°	90.0°
C26	C27	N10	H50	120.3°	90.0°
C26	C27	N10	O9	24.6°	90.0°
C26	C27	N10	C28	156.5°	90.0°
C27	C26	C25	H45	72.9°	90.0°
C27	C26	C25	H46	48.2°	90.0°
C27	C26	H47	H48	119.2°	90.0°
C26	C27	H49	H50	118.9°	90.0°
C27	N10	O9	C28	178.8°	90.0°
C27	N10	C28	O10	178.4°	90.0°
N10	C27	C26	H47	9.4°	90.0°
N10	C27	C26	H48	110.1°	90.0°
N10	C27	H49	H50	118.9°	90.0°
C27	N10	C28	H51	1.6°	90.0°
C27	N10	O9	FE1	151.3°	90.0°
O9	N10	C28	O10	2.8°	90.0°
O9	N10	C27	H49	145.0°	90.0°
O9	N10	C27	H50	95.7°	90.0°
O9	N10	C28	H51	177.2°	90.0°
N10	O9	FE1	O17	83.0°	90.0°
N10	O9	FE1	O18	130.5°	90.0°
N10	O9	FE1	O5	136.0°	90.0°
N10	O9	FE1	O6	61.4°	90.0°
N10	O9	FE1	O10	32.6°	90.0°
N10	C28	O10	H51	180.0°	90.0°
C28	N10	C27	H49	36.2°	90.0°
C28	N10	C27	H50	83.1°	90.0°
C28	N10	O9	FE1	27.5°	90.0°
N10	C28	O10	FE1	31.6°	90.0°
C28	O10	FE1	O17	175.9°	90.0°
C28	O10	FE1	O18	113.2°	90.0°
C28	O10	FE1	O5	115.2°	90.0°
C28	O10	FE1	O9	32.3°	90.0°
C28	O10	FE1	O6	64.6°	90.0°
O11	C29	C24	H44	169.6°	90.0°
O11	C29	N11	C30	2.5°	90.0°
O11	C29	N11	H52	177.4°	90.0°
H43	N9	C24	H44	128.7°	90.0°
H44	C24	C25	H45	105.2°	90.0°
H44	C24	C25	H46	133.6°	90.0°
H44	C24	N9	C19	51.3°	90.0°
H44	C24	C29	N11	13.0°	90.0°
H45	C25	C26	H47	166.8°	90.0°
H45	C25	C26	H48	47.3°	90.0°
H46	C25	C26	H47	72.0°	90.0°
H46	C25	C26	H48	168.5°	90.0°
H47	C26	C27	H49	129.7°	90.0°
H47	C26	C27	H50	111.0°	90.0°
H48	C26	C27	H49	10.3°	90.0°
H48	C26	C27	H50	129.5°	90.0°
H51	C28	O10	FE1	148.4°	90.0°
C30	N11	H52	C29	180.0°	90.0°
N11	C30	C31	C32	121.0°	90.0°
N11	C30	C31	H53	119.8°	90.0°
N11	C30	C32	H53	120.5°	90.0°
N11	C30	C31	O12	78.9°	90.0°
N11	C30	C32	O13	126.8°	90.0°
N11	C30	C32	H54	6.6°	90.0°
N11	C30	C32	H55	113.0°	90.0°
N11	C30	C31	N8	110.4°	90.0°
H52	N11	C30	C31	81.8°	90.0°
H52	N11	C30	C32	38.9°	90.0°
H52	N11	C30	H53	158.8°	90.0°
C31	C30	C32	H53	119.3°	90.0°
C30	C31	O12	N8	171.1°	90.0°
C31	C30	C32	O13	113.0°	90.0°
C31	C30	C32	H54	126.8°	90.0°
C31	C30	C32	H55	7.2°	90.0°
C31	C30	N11	C29	98.2°	90.0°
C32	C30	C31	O12	42.1°	90.0°
C30	C32	O13	H54	120.2°	90.0°
C30	C32	O13	H55	120.2°	90.0°
C30	C32	H54	H55	119.4°	90.0°
C30	C32	O13	H56	180.0°	90.0°
C32	C30	C31	N8	128.6°	90.0°
C32	C30	N11	C29	141.1°	90.0°
H53	C30	C31	O12	161.3°	90.0°
H53	C30	C32	O13	6.2°	90.0°
H53	C30	C32	H54	113.9°	90.0°
H53	C30	C32	H55	126.4°	90.0°
H53	C30	C31	N8	9.4°	90.0°
H53	C30	N11	C29	21.2°	90.0°
O13	C32	H54	H55	119.4°	90.0°
H54	C32	O13	H56	59.8°	90.0°
H55	C32	O13	H56	59.8°	90.0°
O14	C33	O15	C34	179.6°	90.0°
O14	C33	C34	C35	73.9°	90.0°
O14	C33	O15	H57	0.0°	90.0°
O14	C33	C34	H58	165.8°	90.0°
O14	C33	C34	H59	46.5°	90.0°
O15	C33	C34	C35	106.5°	90.0°
O15	C33	C34	H58	13.8°	90.0°
O15	C33	C34	H59	133.1°	90.0°
C33	C34	C35	H58	120.4°	90.0°
C33	C34	C35	H59	120.3°	90.0°
C33	C34	C35	C36	71.9°	90.0°
C34	C33	O15	H57	179.6°	90.0°
C33	C34	H58	H59	118.9°	90.0°
C33	C34	C35	H60	45.6°	90.0°
C33	C34	C35	H61	170.6°	90.0°
C34	C35	C36	H60	117.5°	90.0°
C34	C35	C36	H61	117.5°	90.0°
C34	C35	C36	O16	136.5°	90.0°
C34	C35	C36	N12	46.0°	90.0°
C35	C34	H58	H59	118.9°	90.0°
C34	C35	H60	H61	126.9°	90.0°
C35	C36	O16	N12	177.6°	90.0°
C35	C36	N12	C37	174.9°	90.0°
C36	C35	C34	H58	167.7°	90.0°
C36	C35	C34	H59	48.4°	90.0°
C36	C35	H60	H61	126.9°	90.0°
C35	C36	N12	H62	5.1°	90.0°
O16	C36	N12	C37	2.0°	90.0°
O16	C36	C35	H60	106.0°	90.0°
O16	C36	C35	H61	19.1°	90.0°
O16	C36	N12	H62	178.0°	90.0°
C36	N12	C37	H62	180.0°	90.0°
C36	N12	C37	C38	92.9°	90.0°
C36	N12	C37	C47	87.9°	90.0°
N12	C36	C35	H60	71.4°	90.0°
N12	C36	C35	H61	163.5°	90.0°
N12	C37	C38	C47	179.2°	90.0°
N12	C37	C38	C39	177.9°	90.0°
N12	C37	C47	N13	178.6°	90.0°
N12	C37	C47	N14	2.0°	90.0°
N12	C37	C38	H63	2.1°	90.0°
C37	C38	C39	H63	180.0°	90.0°
C37	C38	C39	C40	178.8°	90.0°
C37	C38	C39	C44	1.3°	90.0°
C38	C37	C47	N13	0.6°	90.0°
C38	C37	C47	N14	178.8°	90.0°
C38	C37	N12	H62	87.1°	90.0°
C47	C37	C38	C39	1.4°	90.0°
C37	C47	N13	C44	0.3°	90.0°
C37	C47	N13	C45	178.3°	90.0°
C37	C47	N13	N14	179.4°	90.0°
C37	C47	N14	C48	158.1°	90.0°
C47	C37	N12	H62	92.1°	90.0°
C47	C37	C38	H63	178.7°	90.0°
C37	C47	N14	H69	21.9°	90.0°
C38	C39	C40	C44	179.9°	90.0°
C38	C39	C40	C41	179.4°	90.0°
C38	C39	C44	C43	179.6°	90.0°
C38	C39	C44	N13	0.4°	90.0°
C38	C39	C40	H64	0.6°	90.0°
C39	C40	C41	H64	180.0°	90.0°
C39	C40	C41	O17	179.4°	90.0°
C39	C40	C41	C42	1.0°	90.0°
C40	C39	C44	C43	0.3°	90.0°
C40	C39	C44	N13	179.7°	90.0°
C40	C39	C38	H63	1.2°	90.0°
C44	C39	C40	C41	0.5°	90.0°
C39	C44	C43	C42	0.4°	90.0°
C39	C44	C43	N13	180.0°	90.0°
C39	C44	N13	C45	178.4°	90.0°
C39	C44	N13	C47	0.4°	90.0°
C44	C39	C38	H63	178.7°	90.0°
C44	C39	C40	H64	179.5°	90.0°
C39	C44	C43	H65	179.6°	90.0°
C40	C41	O17	C42	179.6°	90.0°
C40	C41	C42	O18	179.5°	90.0°
C40	C41	C42	C43	1.1°	90.0°
C40	C41	O17	FE1	174.1°	90.0°
O17	C41	C42	O18	0.1°	90.0°
O17	C41	C42	C43	179.3°	90.0°
O17	C41	C40	H64	0.6°	90.0°
C41	O17	FE1	O18	6.1°	90.0°
C41	O17	FE1	O5	102.0°	90.0°
C41	O17	FE1	O9	43.8°	90.0°
C41	O17	FE1	O6	174.7°	90.0°
C41	O17	FE1	O10	94.7°	90.0°
C41	C42	O18	C43	179.3°	90.0°
C41	C42	C43	C44	0.8°	90.0°
C42	C41	C40	H64	179.0°	90.0°
C41	C42	C43	H65	179.2°	90.0°
C42	C41	O17	FE1	5.5°	90.0°
C41	C42	O18	FE1	5.3°	90.0°
O18	C42	C43	C44	179.9°	90.0°
O18	C42	C43	H65	0.1°	90.0°
C42	O18	FE1	O17	6.2°	90.0°
C42	O18	FE1	O5	97.4°	90.0°
C42	O18	FE1	O9	146.3°	90.0°
C42	O18	FE1	O6	122.3°	90.0°
C42	O18	FE1	O10	68.3°	90.0°
C42	C43	C44	H65	180.0°	90.0°
C42	C43	C44	N13	179.6°	90.0°
C43	C42	O18	FE1	175.3°	90.0°
C43	C44	N13	C45	1.6°	90.0°
C43	C44	N13	C47	179.6°	90.0°
C44	N13	C45	C47	178.1°	90.0°
C44	N13	C45	C46	99.9°	90.0°
C44	N13	C45	C49	138.7°	90.0°
C44	N13	C47	N14	179.6°	90.0°
N13	C44	C43	H65	0.4°	90.0°
C44	N13	C45	H66	21.2°	90.0°
N13	C45	C46	C49	117.6°	90.0°
N13	C45	C46	H66	121.4°	90.0°
N13	C45	C49	H66	118.0°	90.0°
N13	C45	C46	O19	21.0°	90.0°
C45	N13	C47	N14	2.4°	90.0°
N13	C45	C49	C48	65.8°	90.0°
N13	C45	C49	H67	174.0°	90.0°
N13	C45	C49	H68	54.5°	90.0°
N13	C45	C46	N1	118.4°	90.0°
C47	N13	C45	C46	82.0°	90.0°
C47	N13	C45	C49	39.4°	90.0°
N13	C47	N14	C48	22.5°	90.0°
C47	N13	C45	H66	156.9°	90.0°
N13	C47	N14	H69	157.5°	90.0°
C46	C45	C49	H66	121.2°	90.0°
C45	C46	O19	N1	132.7°	90.0°
C46	C45	C49	C48	54.9°	90.0°
C46	C45	C49	H67	65.3°	90.0°
C46	C45	C49	H68	175.2°	90.0°
C49	C45	C46	O19	96.6°	90.0°
C45	C49	C48	N14	48.3°	90.0°
C45	C49	C48	H67	120.2°	90.0°
C45	C49	C48	H68	120.2°	90.0°
C45	C49	H67	H68	119.2°	90.0°
C45	C49	C48	H70	168.0°	90.0°
C45	C49	C48	H71	71.5°	90.0°
C49	C45	C46	N1	124.0°	90.0°
O19	C46	C45	H66	142.4°	90.0°
C47	N14	C48	H69	180.0°	90.0°
C47	N14	C48	C49	4.3°	90.0°
C47	N14	C48	H70	124.0°	90.0°
C47	N14	C48	H71	115.4°	90.0°
N14	C48	C49	H70	119.7°	90.0°
N14	C48	C49	H71	119.7°	90.0°
N14	C48	C49	H67	168.5°	90.0°
N14	C48	C49	H68	71.9°	90.0°
N14	C48	H70	H71	120.8°	90.0°
C48	C49	C45	H66	176.2°	90.0°
C48	C49	H67	H68	119.3°	90.0°
C49	C48	N14	H69	175.7°	90.0°
C49	C48	H70	H71	120.8°	90.0°
H58	C34	C35	H60	74.8°	90.0°
H58	C34	C35	H61	50.2°	90.0°
H59	C34	C35	H60	165.9°	90.0°
H59	C34	C35	H61	69.1°	90.0°
H66	C45	C49	H67	55.9°	90.0°
H66	C45	C49	H68	63.6°	90.0°
H66	C45	C46	N1	3.0°	90.0°
H67	C49	C48	H70	71.8°	90.0°
H67	C49	C48	H71	48.8°	90.0°
H68	C49	C48	H70	47.8°	90.0°
H68	C49	C48	H71	168.3°	90.0°
H69	N14	C48	H70	56.0°	90.0°
H69	N14	C48	H71	64.6°	90.0°
O17	FE1	O18	O5	91.2°	90.0°
O17	FE1	O18	O9	152.6°	90.0°
O17	FE1	O18	O6	116.1°	90.0°
O17	FE1	O18	O10	74.5°	90.0°
O17	FE1	O5	O9	157.9°	90.0°
O17	FE1	O5	O6	112.0°	90.0°
O17	FE1	O5	O10	58.3°	90.0°
O17	FE1	O9	O6	144.4°	90.0°
O17	FE1	O9	O10	50.4°	90.0°
O17	FE1	O6	O10	78.3°	90.0°
O18	FE1	O5	O9	84.7°	90.0°
O18	FE1	O5	O6	174.8°	90.0°
O18	FE1	O5	O10	131.5°	90.0°
O18	FE1	O9	O6	168.1°	90.0°
O18	FE1	O9	O10	98.0°	90.0°
O18	FE1	O6	O10	169.5°	90.0°
O5	FE1	O9	O6	74.6°	90.0°
O5	FE1	O9	O10	168.6°	90.0°
O5	FE1	O6	O10	164.6°	90.0°
O9	FE1	O6	O10	79.7°	90.0°

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