PRD_002139

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	0.00Å	1.24Å
C1	C2	sing	0.00Å	1.50Å
C2	C3	sing	0.00Å	1.51Å
C2	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
C3	C4	sing	0.00Å	1.51Å
C3	H3	sing	0.00Å	1.10Å
C3	H4	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.53Å
C4	H5	sing	0.00Å	1.10Å
C4	H6	sing	0.00Å	1.10Å
C5	C6	sing	0.00Å	1.51Å
C5	H7	sing	0.00Å	1.10Å
C5	H8	sing	0.00Å	1.10Å
C6	S1	sing	0.00Å	1.77Å
C6	C10	sing	0.00Å	1.52Å
C6	H9	sing	0.00Å	1.10Å
S1	C7	sing	0.00Å	1.77Å
C7	C8	sing	0.00Å	1.55Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	N1	sing	0.00Å	1.45Å
C8	C10	sing	0.00Å	1.55Å
C8	H12	sing	0.00Å	1.10Å
N1	C9	sing	0.00Å	1.34Å
N1	H13	sing	0.00Å	1.00Å
C9	O2	doub	0.00Å	1.22Å
C9	N2	sing	0.00Å	1.34Å
N2	C10	sing	0.00Å	1.47Å
N2	H14	sing	0.00Å	1.00Å
C10	H15	sing	0.00Å	1.10Å
N3	C11	sing	0.00Å	1.50Å
C11	C12	sing	0.00Å	1.52Å
C12	O3	sing	0.00Å	1.43Å
O3	C13	sing	0.00Å	1.43Å
C13	C14	sing	0.00Å	1.50Å
O4	C14	sing	0.00Å	1.42Å
O4	C15	sing	0.00Å	1.42Å
O5	C16	sing	0.00Å	1.43Å
O5	C17	sing	0.00Å	1.43Å
C16	C15	sing	0.00Å	1.52Å
C20	C21	sing	0.00Å	1.51Å
C20	C19	sing	0.00Å	1.51Å
C21	O7	doub	0.00Å	1.22Å
O6	C19	sing	0.00Å	1.40Å
O6	C18	sing	0.00Å	1.43Å
C17	C18	sing	0.00Å	1.49Å
C11	H16	sing	0.00Å	1.10Å
C11	H17	sing	0.00Å	1.10Å
C12	H18	sing	0.00Å	1.10Å
C12	H19	sing	0.00Å	1.10Å
C13	H20	sing	0.00Å	1.10Å
C13	H21	sing	0.00Å	1.10Å
C14	H22	sing	0.00Å	1.10Å
C14	H23	sing	0.00Å	1.10Å
C15	H24	sing	0.00Å	1.10Å
C15	H25	sing	0.00Å	1.10Å
C16	H26	sing	0.00Å	1.10Å
C16	H27	sing	0.00Å	1.10Å
C17	H28	sing	0.00Å	1.10Å
C17	H29	sing	0.00Å	1.10Å
C18	H30	sing	0.00Å	1.10Å
C18	H31	sing	0.00Å	1.10Å
C19	H32	sing	0.00Å	1.10Å
C19	H33	sing	0.00Å	1.10Å
C20	H34	sing	0.00Å	1.10Å
C20	H35	sing	0.00Å	1.10Å
C28	O9	sing	0.00Å	1.43Å
C28	C29	sing	0.00Å	1.50Å
O9	C26	sing	0.00Å	1.41Å
C29	C34	doub	0.00Å	1.39Å	Aromatic
C29	C30	sing	0.00Å	1.38Å	Aromatic
C26	C25	sing	0.00Å	1.52Å
C34	C33	sing	0.00Å	1.39Å	Aromatic
C25	C24	sing	0.00Å	1.51Å
C30	C31	doub	0.00Å	1.38Å	Aromatic
C33	C32	doub	0.00Å	1.39Å	Aromatic
C31	C32	sing	0.00Å	1.37Å	Aromatic
C24	C23	sing	0.00Å	1.55Å
C23	C22	sing	0.00Å	1.53Å
O8	C27	doub	0.00Å	1.23Å
C22	N4	sing	0.00Å	1.46Å
C22	C27	sing	0.00Å	1.49Å
C22	H36	sing	0.00Å	1.10Å
C23	H37	sing	0.00Å	1.10Å
C23	H38	sing	0.00Å	1.10Å
C24	H39	sing	0.00Å	1.10Å
C24	H40	sing	0.00Å	1.10Å
C25	H41	sing	0.00Å	1.10Å
C25	H42	sing	0.00Å	1.10Å
C26	H43	sing	0.00Å	1.10Å
C26	H44	sing	0.00Å	1.10Å
C28	H45	sing	0.00Å	1.10Å
C28	H46	sing	0.00Å	1.10Å
C30	H47	sing	0.00Å	1.08Å
C31	H48	sing	0.00Å	1.08Å
C32	H49	sing	0.00Å	1.08Å
C33	H50	sing	0.00Å	1.08Å
C34	H51	sing	0.00Å	1.08Å
N5	C35	sing	0.00Å	1.46Å
C35	C36	sing	0.00Å	1.54Å
C35	C39	sing	0.00Å	1.52Å
C35	H52	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.55Å
C36	H53	sing	0.00Å	1.10Å
C36	H54	sing	0.00Å	1.10Å
C37	S2	sing	0.00Å	1.70Å
C37	H55	sing	0.00Å	1.10Å
C37	H56	sing	0.00Å	1.10Å
S2	C38	sing	0.00Å	1.68Å
S2	O11	doub	0.00Å	1.38Å
S2	O12	doub	0.00Å	1.43Å
C38	H57	sing	0.00Å	1.10Å
C38	H58	sing	0.00Å	1.10Å
C38	H59	sing	0.00Å	1.10Å
C39	O10	doub	0.00Å	1.23Å
N6	C40	sing	0.00Å	1.47Å
N6	C44	sing	0.00Å	1.46Å
C40	C41	sing	0.00Å	1.52Å
C40	C42	sing	0.00Å	1.51Å
C40	H60	sing	0.00Å	1.10Å
C41	O13	doub	0.00Å	1.24Å
C42	C43	sing	0.00Å	1.52Å
C42	H61	sing	0.00Å	1.10Å
C42	H62	sing	0.00Å	1.10Å
C43	C44	sing	0.00Å	1.54Å
C43	C45	sing	0.00Å	1.51Å
C43	H63	sing	0.00Å	1.10Å
C44	C48	sing	0.00Å	1.52Å
C44	H64	sing	0.00Å	1.10Å
C45	C46	sing	0.00Å	1.51Å
C45	H65	sing	0.00Å	1.10Å
C45	H66	sing	0.00Å	1.10Å
C46	C47	sing	0.00Å	1.50Å
C46	H67	sing	0.00Å	1.10Å
C46	H68	sing	0.00Å	1.10Å
C47	C48	sing	0.00Å	1.53Å
C47	H69	sing	0.00Å	1.10Å
C47	H70	sing	0.00Å	1.10Å
C48	H71	sing	0.00Å	1.10Å
C48	H72	sing	0.00Å	1.10Å
N7	C49	sing	0.00Å	1.48Å
O15	P1	doub	0.00Å	1.49Å
P1	C49	sing	0.00Å	1.80Å
P1	O14	sing	0.00Å	1.52Å
C49	C50	sing	0.00Å	1.50Å
C50	C51	sing	0.00Å	1.49Å
P1	O16	sing	0.00Å	104.63Å
C49	H73	sing	0.00Å	1.10Å
C50	H74	sing	0.00Å	1.10Å
C50	H75	sing	0.00Å	1.10Å
C51	H76	sing	0.00Å	1.10Å
C51	H77	sing	0.00Å	1.10Å
C51	H78	sing	0.00Å	1.10Å
O14	H79	sing	0.00Å	0.95Å
O16	H80	sing	0.00Å	0.00Å
C1	N3	doub	0.00Å	1.35Å
C21	N4	doub	0.00Å	1.32Å
C27	N5	doub	0.00Å	1.33Å
C39	N6	doub	0.00Å	1.35Å
C41	N7	doub	0.00Å	1.42Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	119.2°	90.0°
O1	C1	N3	126.4°	90.0°
C1	C2	C3	109.5°	90.0°
C1	C2	H1	109.5°	90.0°
C1	C2	H2	109.5°	90.0°
C2	C1	N3	114.4°	90.0°
C3	C2	H1	109.5°	90.0°
C3	C2	H2	109.5°	90.0°
C2	C3	C4	109.9°	90.0°
C2	C3	H3	109.4°	90.0°
C2	C3	H4	109.4°	90.0°
H1	C2	H2	109.5°	90.0°
C4	C3	H3	109.4°	90.0°
C4	C3	H4	109.4°	90.0°
C3	C4	C5	110.6°	90.0°
C3	C4	H5	109.2°	90.0°
C3	C4	H6	109.2°	90.0°
H3	C3	H4	109.5°	90.0°
C5	C4	H5	109.2°	90.0°
C5	C4	H6	109.2°	90.0°
C4	C5	C6	107.1°	90.0°
C4	C5	H7	110.0°	90.0°
C4	C5	H8	110.0°	90.0°
H5	C4	H6	109.5°	90.0°
C6	C5	H7	110.1°	90.0°
C6	C5	H8	110.0°	90.0°
C5	C6	S1	110.5°	90.0°
C5	C6	C10	115.7°	90.0°
C5	C6	H9	110.1°	90.0°
H7	C5	H8	109.5°	90.0°
S1	C6	C10	102.9°	90.0°
S1	C6	H9	107.1°	90.0°
C6	S1	C7	96.7°	90.0°
C10	C6	H9	109.9°	90.0°
C6	C10	C8	109.2°	90.0°
C6	C10	N2	117.2°	90.0°
C6	C10	H15	108.9°	90.0°
S1	C7	C8	103.3°	90.0°
S1	C7	H10	111.0°	90.0°
S1	C7	H11	111.0°	90.0°
C8	C7	H10	111.0°	90.0°
C8	C7	H11	111.0°	90.0°
C7	C8	N1	109.4°	90.0°
C7	C8	C10	111.9°	90.0°
C7	C8	H12	110.5°	90.0°
H10	C7	H11	109.5°	90.0°
N1	C8	C10	102.3°	90.0°
N1	C8	H12	112.0°	90.0°
C8	N1	C9	113.5°	90.0°
C8	N1	H13	123.3°	90.0°
C10	C8	H12	110.5°	90.0°
C8	C10	N2	102.9°	90.0°
C8	C10	H15	108.6°	90.0°
C9	N1	H13	123.3°	90.0°
N1	C9	O2	123.9°	90.0°
N1	C9	N2	109.3°	90.0°
O2	C9	N2	126.8°	90.0°
C9	N2	C10	111.9°	90.0°
C9	N2	H14	124.1°	90.0°
C10	N2	H14	124.0°	90.0°
N2	C10	H15	109.7°	90.0°
N3	C11	C12	111.8°	90.0°
N3	C11	H16	108.9°	90.0°
N3	C11	H17	108.9°	90.0°
C11	N3	C1	123.2°	90.0°
C11	C12	O3	108.8°	90.0°
C12	C11	H16	108.9°	90.0°
C12	C11	H17	108.9°	90.0°
C11	C12	H18	109.7°	90.0°
C11	C12	H19	109.6°	90.0°
C12	O3	C13	111.9°	90.0°
O3	C12	H18	109.6°	90.0°
O3	C12	H19	109.6°	90.0°
O3	C13	C14	108.2°	90.0°
O3	C13	H20	109.8°	90.0°
O3	C13	H21	109.8°	90.0°
C13	C14	O4	106.7°	90.0°
C14	C13	H20	109.8°	90.0°
C14	C13	H21	109.8°	90.0°
C13	C14	H22	110.2°	90.0°
C13	C14	H23	110.1°	90.0°
C14	O4	C15	113.5°	90.0°
O4	C14	H22	110.1°	90.0°
O4	C14	H23	110.2°	90.0°
O4	C15	C16	113.2°	90.0°
O4	C15	H24	108.5°	90.0°
O4	C15	H25	108.5°	90.0°
C16	O5	C17	117.3°	90.0°
O5	C16	C15	113.7°	90.0°
O5	C16	H26	108.4°	90.0°
O5	C16	H27	108.4°	90.0°
O5	C17	C18	110.9°	90.0°
O5	C17	H28	109.1°	90.0°
O5	C17	H29	109.1°	90.0°
C16	C15	H24	108.5°	90.0°
C16	C15	H25	108.5°	90.0°
C15	C16	H26	108.4°	90.0°
C15	C16	H27	108.4°	90.0°
C21	C20	C19	110.6°	90.0°
C20	C21	O7	117.8°	90.0°
C21	C20	H34	109.2°	90.0°
C21	C20	H35	109.2°	90.0°
C20	C21	N4	116.9°	90.0°
C20	C19	O6	108.2°	90.0°
C20	C19	H32	109.8°	90.0°
C20	C19	H33	109.8°	90.0°
C19	C20	H34	109.2°	90.0°
C19	C20	H35	109.2°	90.0°
O7	C21	N4	125.3°	90.0°
C19	O6	C18	111.4°	90.0°
O6	C19	H32	109.8°	90.0°
O6	C19	H33	109.8°	90.0°
O6	C18	C17	107.4°	90.0°
O6	C18	H30	110.0°	90.0°
O6	C18	H31	110.0°	90.0°
C18	C17	H28	109.1°	90.0°
C18	C17	H29	109.1°	90.0°
C17	C18	H30	110.0°	90.0°
C17	C18	H31	110.0°	90.0°
H16	C11	H17	109.4°	90.0°
H18	C12	H19	109.5°	90.0°
H20	C13	H21	109.5°	90.0°
H22	C14	H23	109.5°	90.0°
H24	C15	H25	109.5°	90.0°
H26	C16	H27	109.5°	90.0°
H28	C17	H29	109.5°	90.0°
H30	C18	H31	109.5°	90.0°
H32	C19	H33	109.5°	90.0°
H34	C20	H35	109.5°	90.0°
O9	C28	C29	111.1°	90.0°
C28	O9	C26	114.7°	90.0°
O9	C28	H45	109.1°	90.0°
O9	C28	H46	109.0°	90.0°
C28	C29	C34	120.4°	90.0°
C28	C29	C30	120.9°	90.0°
C29	C28	H45	109.0°	90.0°
C29	C28	H46	109.1°	90.0°
O9	C26	C25	112.2°	90.0°
O9	C26	H43	108.8°	90.0°
O9	C26	H44	108.8°	90.0°
C34	C29	C30	118.7°	90.0°
C29	C34	C33	119.6°	90.0°
C29	C34	H51	120.2°	90.0°
C29	C30	C31	121.3°	90.0°
C29	C30	H47	119.3°	90.0°
C26	C25	C24	109.4°	90.0°
C26	C25	H41	109.5°	90.0°
C26	C25	H42	109.5°	90.0°
C25	C26	H43	108.8°	90.0°
C25	C26	H44	108.8°	90.0°
C34	C33	C32	121.1°	90.0°
C34	C33	H50	119.5°	90.0°
C33	C34	H51	120.2°	90.0°
C25	C24	C23	112.6°	90.0°
C25	C24	H39	108.7°	90.0°
C25	C24	H40	108.7°	90.0°
C24	C25	H41	109.5°	90.0°
C24	C25	H42	109.5°	90.0°
C30	C31	C32	120.5°	90.0°
C31	C30	H47	119.3°	90.0°
C30	C31	H48	119.8°	90.0°
C33	C32	C31	118.9°	90.0°
C33	C32	H49	120.6°	90.0°
C32	C33	H50	119.5°	90.0°
C32	C31	H48	119.7°	90.0°
C31	C32	H49	120.6°	90.0°
C24	C23	C22	112.5°	90.0°
C24	C23	H37	108.7°	90.0°
C24	C23	H38	108.7°	90.0°
C23	C24	H39	108.7°	90.0°
C23	C24	H40	108.7°	90.0°
C23	C22	N4	112.0°	90.0°
C23	C22	C27	107.2°	90.0°
C23	C22	H36	109.3°	90.0°
C22	C23	H37	108.7°	90.0°
C22	C23	H38	108.7°	90.0°
O8	C27	C22	122.0°	90.0°
O8	C27	N5	120.2°	90.0°
N4	C22	C27	108.2°	90.0°
N4	C22	H36	110.2°	90.0°
C22	N4	C21	121.0°	90.0°
C27	C22	H36	109.8°	90.0°
C22	C27	N5	117.8°	90.0°
H37	C23	H38	109.5°	90.0°
H39	C24	H40	109.4°	90.0°
H41	C25	H42	109.5°	90.0°
H43	C26	H44	109.4°	90.0°
H45	C28	H46	109.5°	90.0°
N5	C35	C36	111.4°	90.0°
N5	C35	C39	107.3°	90.0°
N5	C35	H52	110.7°	90.0°
C35	N5	C27	123.0°	90.0°
C36	C35	C39	108.0°	90.0°
C36	C35	H52	109.5°	90.0°
C35	C36	C37	111.7°	90.0°
C35	C36	H53	108.9°	90.0°
C35	C36	H54	108.9°	90.0°
C39	C35	H52	109.8°	90.0°
C35	C39	O10	119.3°	90.0°
C35	C39	N6	118.1°	90.0°
C37	C36	H53	108.9°	90.0°
C37	C36	H54	108.9°	90.0°
C36	C37	S2	110.6°	90.0°
C36	C37	H55	109.2°	90.0°
C36	C37	H56	109.2°	90.0°
H53	C36	H54	109.5°	90.0°
S2	C37	H55	109.2°	90.0°
S2	C37	H56	109.2°	90.0°
C37	S2	C38	103.5°	90.0°
C37	S2	O11	107.5°	90.0°
C37	S2	O12	110.8°	90.0°
H55	C37	H56	109.5°	90.0°
C38	S2	O11	112.6°	90.0°
C38	S2	O12	103.2°	90.0°
S2	C38	H57	109.5°	90.0°
S2	C38	H58	109.4°	90.0°
S2	C38	H59	109.5°	90.0°
O11	S2	O12	118.3°	90.0°
H57	C38	H58	109.4°	90.0°
H57	C38	H59	109.5°	90.0°
H58	C38	H59	109.5°	90.0°
O10	C39	N6	122.6°	90.0°
C40	N6	C44	106.8°	90.0°
N6	C40	C41	110.8°	90.0°
N6	C40	C42	109.9°	90.0°
N6	C40	H60	106.2°	90.0°
C40	N6	C39	120.0°	90.0°
N6	C44	C43	103.8°	90.0°
N6	C44	C48	111.7°	90.0°
N6	C44	H64	109.7°	90.0°
C44	N6	C39	133.1°	90.0°
C41	C40	C42	117.5°	90.0°
C41	C40	H60	105.8°	90.0°
C40	C41	O13	118.7°	90.0°
C40	C41	N7	118.9°	90.0°
C42	C40	H60	105.9°	90.0°
C40	C42	C43	101.4°	90.0°
C40	C42	H61	111.5°	90.0°
C40	C42	H62	111.4°	90.0°
O13	C41	N7	121.8°	90.0°
C43	C42	H61	111.4°	90.0°
C43	C42	H62	111.4°	90.0°
C42	C43	C44	104.4°	90.0°
C42	C43	C45	113.8°	90.0°
C42	C43	H63	107.2°	90.0°
H61	C42	H62	109.5°	90.0°
C44	C43	C45	116.6°	90.0°
C44	C43	H63	107.1°	90.0°
C43	C44	C48	113.9°	90.0°
C43	C44	H64	108.7°	90.0°
C45	C43	H63	107.4°	90.0°
C43	C45	C46	111.5°	90.0°
C43	C45	H65	109.0°	90.0°
C43	C45	H66	109.0°	90.0°
C48	C44	H64	108.9°	90.0°
C44	C48	C47	110.7°	90.0°
C44	C48	H71	109.2°	90.0°
C44	C48	H72	109.2°	90.0°
C46	C45	H65	109.0°	90.0°
C46	C45	H66	108.9°	90.0°
C45	C46	C47	114.4°	90.0°
C45	C46	H67	108.3°	90.0°
C45	C46	H68	108.2°	90.0°
H65	C45	H66	109.5°	90.0°
C47	C46	H67	108.2°	90.0°
C47	C46	H68	108.3°	90.0°
C46	C47	C48	110.8°	90.0°
C46	C47	H69	109.1°	90.0°
C46	C47	H70	109.1°	90.0°
H67	C46	H68	109.4°	90.0°
C48	C47	H69	109.2°	90.0°
C48	C47	H70	109.1°	90.0°
C47	C48	H71	109.2°	90.0°
C47	C48	H72	109.2°	90.0°
H69	C47	H70	109.4°	90.0°
H71	C48	H72	109.5°	90.0°
N7	C49	P1	106.8°	90.0°
N7	C49	C50	105.0°	90.0°
N7	C49	H73	112.0°	90.0°
C49	N7	C41	119.1°	90.0°
O15	P1	C49	113.5°	90.0°
O15	P1	O14	114.7°	90.0°
O15	P1	O16	51.9°	90.0°
C49	P1	O14	110.3°	90.0°
P1	C49	C50	113.4°	90.0°
C49	P1	O16	147.9°	90.0°
P1	C49	H73	107.9°	90.0°
O14	P1	O16	65.0°	90.0°
P1	O14	H79	109.5°	90.0°
C49	C50	C51	113.6°	90.0°
C50	C49	H73	111.6°	90.0°
C49	C50	H74	108.4°	90.0°
C49	C50	H75	108.4°	90.0°
C51	C50	H74	108.4°	90.0°
C51	C50	H75	108.4°	90.0°
C50	C51	H76	109.5°	90.0°
C50	C51	H77	109.5°	90.0°
C50	C51	H78	109.5°	90.0°
P1	O16	H80	90.0°	90.0°
H74	C50	H75	109.5°	90.0°
H76	C51	H77	109.5°	90.0°
H76	C51	H78	109.5°	90.0°
H77	C51	H78	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N3	179.8°	90.0°
O1	C1	C2	C3	34.4°	90.0°
O1	C1	C2	H1	85.6°	90.0°
O1	C1	C2	H2	154.4°	90.0°
O1	C1	N3	C11	6.0°	90.0°
C1	C2	C3	H1	120.0°	90.0°
C1	C2	C3	H2	120.0°	90.0°
C1	C2	H1	H2	120.0°	90.0°
C1	C2	C3	C4	168.9°	90.0°
C1	C2	C3	H3	48.8°	90.0°
C1	C2	C3	H4	71.1°	90.0°
C2	C1	N3	C11	174.2°	90.0°
C3	C2	H1	H2	120.0°	90.0°
C2	C3	C4	H3	120.0°	90.0°
C2	C3	C4	H4	120.0°	90.0°
C2	C3	H3	H4	119.8°	90.0°
C2	C3	C4	C5	167.7°	90.0°
C2	C3	C4	H5	47.6°	90.0°
C2	C3	C4	H6	72.1°	90.0°
C3	C2	C1	N3	145.8°	90.0°
H1	C2	C3	C4	71.1°	90.0°
H1	C2	C3	H3	168.8°	90.0°
H1	C2	C3	H4	48.9°	90.0°
H1	C2	C1	N3	94.2°	90.0°
H2	C2	C3	C4	48.9°	90.0°
H2	C2	C3	H3	71.2°	90.0°
H2	C2	C3	H4	168.9°	90.0°
H2	C2	C1	N3	25.8°	90.0°
C4	C3	H3	H4	119.8°	90.0°
C3	C4	C5	H5	120.2°	90.0°
C3	C4	C5	H6	120.2°	90.0°
C3	C4	H5	H6	119.5°	90.0°
C3	C4	C5	C6	174.8°	90.0°
C3	C4	C5	H7	65.5°	90.0°
C3	C4	C5	H8	55.2°	90.0°
H3	C3	C4	C5	72.2°	90.0°
H3	C3	C4	H5	167.6°	90.0°
H3	C3	C4	H6	47.9°	90.0°
H4	C3	C4	C5	47.7°	90.0°
H4	C3	C4	H5	72.5°	90.0°
H4	C3	C4	H6	167.9°	90.0°
C5	C4	H5	H6	119.5°	90.0°
C4	C5	C6	H7	119.6°	90.0°
C4	C5	C6	H8	119.6°	90.0°
C4	C5	H7	H8	121.1°	90.0°
C4	C5	C6	S1	73.9°	90.0°
C4	C5	C6	C10	169.7°	90.0°
C4	C5	C6	H9	44.3°	90.0°
H5	C4	C5	C6	54.7°	90.0°
H5	C4	C5	H7	174.3°	90.0°
H5	C4	C5	H8	64.9°	90.0°
H6	C4	C5	C6	65.0°	90.0°
H6	C4	C5	H7	54.6°	90.0°
H6	C4	C5	H8	175.4°	90.0°
C6	C5	H7	H8	121.1°	90.0°
C5	C6	S1	C10	124.1°	90.0°
C5	C6	S1	H9	120.0°	90.0°
C5	C6	C10	H9	125.5°	90.0°
C5	C6	S1	C7	162.6°	90.0°
C5	C6	C10	C8	153.6°	90.0°
C5	C6	C10	N2	37.2°	90.0°
C5	C6	C10	H15	87.9°	90.0°
H7	C5	C6	S1	166.5°	90.0°
H7	C5	C6	C10	50.0°	90.0°
H7	C5	C6	H9	75.4°	90.0°
H8	C5	C6	S1	45.7°	90.0°
H8	C5	C6	C10	70.7°	90.0°
H8	C5	C6	H9	163.9°	90.0°
S1	C6	C10	H9	113.9°	90.0°
C6	S1	C7	C8	31.2°	90.0°
C6	S1	C7	H10	150.2°	90.0°
C6	S1	C7	H11	87.8°	90.0°
S1	C6	C10	C8	33.0°	90.0°
S1	C6	C10	N2	83.4°	90.0°
S1	C6	C10	H15	151.5°	90.0°
C10	C6	S1	C7	38.5°	90.0°
C6	C10	C8	C7	12.1°	90.0°
C6	C10	C8	N1	129.1°	90.0°
C6	C10	C8	N2	125.2°	90.0°
C6	C10	C8	H15	118.6°	90.0°
C6	C10	C8	H12	111.6°	90.0°
C6	C10	N2	C9	123.6°	90.0°
C6	C10	N2	H15	124.7°	90.0°
C6	C10	N2	H14	56.5°	90.0°
H9	C6	S1	C7	77.5°	90.0°
H9	C6	C10	C8	80.9°	90.0°
H9	C6	C10	N2	162.7°	90.0°
H9	C6	C10	H15	37.6°	90.0°
S1	C7	C8	H10	119.0°	90.0°
S1	C7	C8	H11	119.0°	90.0°
S1	C7	H10	H11	122.9°	90.0°
S1	C7	C8	N1	97.8°	90.0°
S1	C7	C8	C10	14.8°	90.0°
S1	C7	C8	H12	138.4°	90.0°
C8	C7	H10	H11	122.8°	90.0°
C7	C8	N1	C10	118.8°	90.0°
C7	C8	N1	H12	122.9°	90.0°
C7	C8	C10	H12	123.6°	90.0°
C7	C8	N1	C9	115.6°	90.0°
C7	C8	N1	H13	64.4°	90.0°
C7	C8	C10	N2	113.1°	90.0°
C7	C8	C10	H15	130.7°	90.0°
H10	C7	C8	N1	21.2°	90.0°
H10	C7	C8	C10	133.8°	90.0°
H10	C7	C8	H12	102.6°	90.0°
H11	C7	C8	N1	143.1°	90.0°
H11	C7	C8	C10	104.2°	90.0°
H11	C7	C8	H12	19.4°	90.0°
N1	C8	C10	H12	119.4°	90.0°
C8	N1	C9	H13	180.0°	90.0°
C8	N1	C9	O2	179.7°	90.0°
C8	N1	C9	N2	1.0°	90.0°
N1	C8	C10	N2	3.9°	90.0°
N1	C8	C10	H15	112.3°	90.0°
C10	C8	N1	C9	3.2°	90.0°
C10	C8	N1	H13	176.8°	90.0°
C8	C10	N2	C9	3.8°	90.0°
C8	C10	N2	H15	115.5°	90.0°
C8	C10	N2	H14	176.3°	90.0°
H12	C8	N1	C9	121.5°	90.0°
H12	C8	N1	H13	58.5°	90.0°
H12	C8	C10	N2	123.3°	90.0°
H12	C8	C10	H15	7.1°	90.0°
N1	C9	O2	N2	179.2°	90.0°
N1	C9	N2	C10	1.9°	90.0°
N1	C9	N2	H14	178.1°	90.0°
H13	N1	C9	O2	0.3°	90.0°
H13	N1	C9	N2	179.0°	90.0°
O2	C9	N2	C10	177.4°	90.0°
O2	C9	N2	H14	2.6°	90.0°
C9	N2	C10	H14	180.0°	90.0°
C9	N2	C10	H15	111.7°	90.0°
H14	N2	C10	H15	68.3°	90.0°
N3	C11	C12	H16	120.4°	90.0°
N3	C11	C12	H17	120.4°	90.0°
N3	C11	C12	O3	73.7°	90.0°
N3	C11	H16	H17	118.9°	90.0°
N3	C11	C12	H18	46.2°	90.0°
N3	C11	C12	H19	166.4°	90.0°
C11	C12	O3	H18	119.9°	90.0°
C11	C12	O3	H19	119.9°	90.0°
C11	C12	O3	C13	161.8°	90.0°
C12	C11	H16	H17	118.9°	90.0°
C11	C12	H18	H19	120.3°	90.0°
C12	C11	N3	C1	131.6°	90.0°
C12	O3	C13	C14	177.4°	90.0°
O3	C12	C11	H16	165.9°	90.0°
O3	C12	C11	H17	46.7°	90.0°
O3	C12	H18	H19	120.3°	90.0°
C12	O3	C13	H20	62.8°	90.0°
C12	O3	C13	H21	57.6°	90.0°
O3	C13	C14	H20	119.8°	90.0°
O3	C13	C14	H21	119.8°	90.0°
O3	C13	C14	O4	59.0°	90.0°
C13	O3	C12	H18	41.9°	90.0°
C13	O3	C12	H19	78.2°	90.0°
O3	C13	H20	H21	120.6°	90.0°
O3	C13	C14	H22	178.5°	90.0°
O3	C13	C14	H23	60.6°	90.0°
C13	C14	O4	H22	119.5°	90.0°
C13	C14	O4	H23	119.6°	90.0°
C13	C14	O4	C15	167.1°	90.0°
C14	C13	H20	H21	120.6°	90.0°
C13	C14	H22	H23	121.3°	90.0°
C14	O4	C15	C16	173.8°	90.0°
O4	C14	C13	H20	60.8°	90.0°
O4	C14	C13	H21	178.8°	90.0°
O4	C14	H22	H23	121.3°	90.0°
C14	O4	C15	H24	65.7°	90.0°
C14	O4	C15	H25	53.2°	90.0°
O4	C15	C16	O5	64.2°	90.0°
O4	C15	C16	H24	120.5°	90.0°
O4	C15	C16	H25	120.6°	90.0°
C15	O4	C14	H22	47.5°	90.0°
C15	O4	C14	H23	73.4°	90.0°
O4	C15	H24	H25	118.3°	90.0°
O4	C15	C16	H26	175.2°	90.0°
O4	C15	C16	H27	56.5°	90.0°
O5	C16	C15	H26	120.6°	90.0°
O5	C16	C15	H27	120.6°	90.0°
C16	O5	C17	C18	91.3°	90.0°
O5	C16	C15	H24	175.3°	90.0°
O5	C16	C15	H25	56.4°	90.0°
O5	C16	H26	H27	118.1°	90.0°
C16	O5	C17	H28	28.9°	90.0°
C16	O5	C17	H29	148.5°	90.0°
C17	O5	C16	C15	73.7°	90.0°
O5	C17	C18	O6	64.1°	90.0°
O5	C17	C18	H28	120.2°	90.0°
O5	C17	C18	H29	120.2°	90.0°
C17	O5	C16	H26	46.9°	90.0°
C17	O5	C16	H27	165.6°	90.0°
O5	C17	H28	H29	119.3°	90.0°
O5	C17	C18	H30	176.2°	90.0°
O5	C17	C18	H31	55.5°	90.0°
C16	C15	H24	H25	118.3°	90.0°
C15	C16	H26	H27	118.0°	90.0°
C21	C20	C19	H34	120.2°	90.0°
C21	C20	C19	H35	120.2°	90.0°
C20	C21	O7	N4	179.8°	90.0°
C21	C20	C19	O6	63.8°	90.0°
C21	C20	C19	H32	56.0°	90.0°
C21	C20	C19	H33	176.4°	90.0°
C21	C20	H34	H35	119.5°	90.0°
C20	C21	N4	C22	178.7°	90.0°
C19	C20	C21	O7	50.1°	90.0°
C20	C19	O6	H32	119.8°	90.0°
C20	C19	O6	H33	119.8°	90.0°
C20	C19	O6	C18	178.7°	90.0°
C20	C19	H32	H33	120.6°	90.0°
C19	C20	H34	H35	119.5°	90.0°
C19	C20	C21	N4	129.7°	90.0°
O7	C21	C20	H34	70.1°	90.0°
O7	C21	C20	H35	170.3°	90.0°
O7	C21	N4	C22	1.5°	90.0°
C19	O6	C18	C17	169.7°	90.0°
C19	O6	C18	H30	70.7°	90.0°
C19	O6	C18	H31	50.0°	90.0°
O6	C19	H32	H33	120.6°	90.0°
O6	C19	C20	H34	176.0°	90.0°
O6	C19	C20	H35	56.4°	90.0°
O6	C18	C17	H30	119.6°	90.0°
O6	C18	C17	H31	119.7°	90.0°
O6	C18	C17	H28	175.7°	90.0°
O6	C18	C17	H29	56.1°	90.0°
O6	C18	H30	H31	121.0°	90.0°
C18	O6	C19	H32	61.5°	90.0°
C18	O6	C19	H33	58.9°	90.0°
C18	C17	H28	H29	119.3°	90.0°
C17	C18	H30	H31	121.0°	90.0°
H16	C11	C12	H18	74.2°	90.0°
H16	C11	C12	H19	46.0°	90.0°
H16	C11	N3	C1	11.2°	90.0°
H17	C11	C12	H18	166.5°	90.0°
H17	C11	C12	H19	73.3°	90.0°
H17	C11	N3	C1	108.0°	90.0°
H20	C13	C14	H22	58.7°	90.0°
H20	C13	C14	H23	179.6°	90.0°
H21	C13	C14	H22	61.7°	90.0°
H21	C13	C14	H23	59.2°	90.0°
H24	C15	C16	H26	54.7°	90.0°
H24	C15	C16	H27	64.1°	90.0°
H25	C15	C16	H26	64.2°	90.0°
H25	C15	C16	H27	177.1°	90.0°
H28	C17	C18	H30	56.0°	90.0°
H28	C17	C18	H31	64.7°	90.0°
H29	C17	C18	H30	63.5°	90.0°
H29	C17	C18	H31	175.8°	90.0°
H32	C19	C20	H34	64.2°	90.0°
H32	C19	C20	H35	176.2°	90.0°
H33	C19	C20	H34	56.2°	90.0°
H33	C19	C20	H35	63.4°	90.0°
H34	C20	C21	N4	110.2°	90.0°
H35	C20	C21	N4	9.5°	90.0°
O9	C28	C29	H45	120.2°	90.0°
O9	C28	C29	H46	120.2°	90.0°
O9	C28	C29	C34	173.9°	90.0°
O9	C28	C29	C30	7.8°	90.0°
C28	O9	C26	C25	170.3°	90.0°
C28	O9	C26	H43	69.3°	90.0°
C28	O9	C26	H44	49.9°	90.0°
O9	C28	H45	H46	119.3°	90.0°
C29	C28	O9	C26	84.9°	90.0°
C28	C29	C34	C30	178.4°	90.0°
C28	C29	C34	C33	179.6°	90.0°
C28	C29	C30	C31	179.9°	90.0°
C29	C28	H45	H46	119.3°	90.0°
C28	C29	C30	H47	0.1°	90.0°
C28	C29	C34	H51	0.4°	90.0°
O9	C26	C25	H43	120.4°	90.0°
O9	C26	C25	H44	120.4°	90.0°
O9	C26	C25	C24	161.7°	90.0°
O9	C26	C25	H41	41.8°	90.0°
O9	C26	C25	H42	78.2°	90.0°
O9	C26	H43	H44	118.7°	90.0°
C26	O9	C28	H45	35.3°	90.0°
C26	O9	C28	H46	154.8°	90.0°
C29	C34	C33	H51	180.0°	90.0°
C34	C29	C30	C31	1.7°	90.0°
C29	C34	C33	C32	2.0°	90.0°
C34	C29	C28	H45	53.6°	90.0°
C34	C29	C28	H46	65.9°	90.0°
C34	C29	C30	H47	178.3°	90.0°
C29	C34	C33	H50	178.0°	90.0°
C30	C29	C34	C33	2.0°	90.0°
C29	C30	C31	H47	180.0°	90.0°
C29	C30	C31	C32	1.4°	90.0°
C30	C29	C28	H45	128.0°	90.0°
C30	C29	C28	H46	112.5°	90.0°
C29	C30	C31	H48	178.6°	90.0°
C30	C29	C34	H51	178.0°	90.0°
C26	C25	C24	H41	120.0°	90.0°
C26	C25	C24	H42	120.0°	90.0°
C26	C25	C24	C23	169.1°	90.0°
C26	C25	C24	H39	48.7°	90.0°
C26	C25	C24	H40	70.4°	90.0°
C26	C25	H41	H42	120.0°	90.0°
C25	C26	H43	H44	118.8°	90.0°
C34	C33	C32	H50	180.0°	90.0°
C34	C33	C32	C31	1.7°	90.0°
C34	C33	C32	H49	178.3°	90.0°
C25	C24	C23	H39	120.5°	90.0°
C25	C24	C23	H40	120.5°	90.0°
C25	C24	C23	C22	177.6°	90.0°
C25	C24	C23	H37	61.9°	90.0°
C25	C24	C23	H38	57.2°	90.0°
C25	C24	H39	H40	118.6°	90.0°
C24	C25	H41	H42	120.1°	90.0°
C24	C25	C26	H43	77.8°	90.0°
C24	C25	C26	H44	41.3°	90.0°
C30	C31	C32	C33	1.4°	90.0°
C30	C31	C32	H48	180.0°	90.0°
C30	C31	C32	H49	178.6°	90.0°
C33	C32	C31	H49	180.0°	90.0°
C33	C32	C31	H48	178.7°	90.0°
C32	C33	C34	H51	178.0°	90.0°
C32	C31	C30	H47	178.6°	90.0°
C31	C32	C33	H50	178.3°	90.0°
C24	C23	C22	H37	120.4°	90.0°
C24	C23	C22	H38	120.5°	90.0°
C24	C23	C22	N4	68.2°	90.0°
C24	C23	C22	C27	173.2°	90.0°
C24	C23	C22	H36	54.2°	90.0°
C24	C23	H37	H38	118.6°	90.0°
C23	C24	H39	H40	118.5°	90.0°
C23	C24	C25	H41	70.9°	90.0°
C23	C24	C25	H42	49.2°	90.0°
C23	C22	C27	O8	73.0°	90.0°
C23	C22	N4	C27	118.0°	90.0°
C23	C22	N4	H36	122.0°	90.0°
C23	C22	C27	H36	118.7°	90.0°
C22	C23	H37	H38	118.6°	90.0°
C22	C23	C24	H39	57.1°	90.0°
C22	C23	C24	H40	61.9°	90.0°
C23	C22	N4	C21	167.3°	90.0°
C23	C22	C27	N5	106.4°	90.0°
O8	C27	C22	N4	48.0°	90.0°
O8	C27	C22	N5	179.4°	90.0°
O8	C27	C22	H36	168.3°	90.0°
O8	C27	N5	C35	9.0°	90.0°
N4	C22	C27	H36	120.3°	90.0°
N4	C22	C23	H37	171.3°	90.0°
N4	C22	C23	H38	52.2°	90.0°
N4	C22	C27	N5	132.6°	90.0°
C27	C22	C23	H37	52.8°	90.0°
C27	C22	C23	H38	66.3°	90.0°
C22	C27	N5	C35	171.6°	90.0°
C27	C22	N4	C21	74.7°	90.0°
H36	C22	C23	H37	66.2°	90.0°
H36	C22	C23	H38	174.7°	90.0°
H36	C22	N4	C21	45.3°	90.0°
H36	C22	C27	N5	12.3°	90.0°
H37	C23	C24	H39	177.6°	90.0°
H37	C23	C24	H40	58.5°	90.0°
H38	C23	C24	H39	63.3°	90.0°
H38	C23	C24	H40	177.6°	90.0°
H39	C24	C25	H41	168.7°	90.0°
H39	C24	C25	H42	71.3°	90.0°
H40	C24	C25	H41	49.6°	90.0°
H40	C24	C25	H42	169.7°	90.0°
H41	C25	C26	H43	162.2°	90.0°
H41	C25	C26	H44	78.6°	90.0°
H42	C25	C26	H43	42.2°	90.0°
H42	C25	C26	H44	161.4°	90.0°
H47	C30	C31	H48	1.4°	90.0°
H48	C31	C32	H49	1.3°	90.0°
H49	C32	C33	H50	1.7°	90.0°
H50	C33	C34	H51	2.0°	90.0°
N5	C35	C36	C39	117.7°	90.0°
N5	C35	C36	H52	122.8°	90.0°
N5	C35	C39	H52	120.4°	90.0°
N5	C35	C36	C37	63.4°	90.0°
N5	C35	C36	H53	56.9°	90.0°
N5	C35	C36	H54	176.3°	90.0°
N5	C35	C39	O10	70.3°	90.0°
N5	C35	C39	N6	109.4°	90.0°
C36	C35	C39	H52	119.4°	90.0°
C35	C36	C37	H53	120.3°	90.0°
C35	C36	C37	H54	120.4°	90.0°
C35	C36	H53	H54	119.0°	90.0°
C35	C36	C37	S2	168.9°	90.0°
C35	C36	C37	H55	71.0°	90.0°
C35	C36	C37	H56	48.7°	90.0°
C36	C35	C39	O10	50.0°	90.0°
C36	C35	N5	C27	103.0°	90.0°
C36	C35	C39	N6	130.3°	90.0°
C39	C35	C36	C37	178.9°	90.0°
C39	C35	C36	H53	60.7°	90.0°
C39	C35	C36	H54	58.6°	90.0°
C35	C39	O10	N6	179.7°	90.0°
C35	C39	N6	C40	171.2°	90.0°
C35	C39	N6	C44	4.9°	90.0°
C39	C35	N5	C27	138.9°	90.0°
H52	C35	C36	C37	59.4°	90.0°
H52	C35	C36	H53	179.7°	90.0°
H52	C35	C36	H54	61.0°	90.0°
H52	C35	C39	O10	169.3°	90.0°
H52	C35	N5	C27	19.1°	90.0°
H52	C35	C39	N6	10.9°	90.0°
C37	C36	H53	H54	118.9°	90.0°
C36	C37	S2	H55	120.2°	90.0°
C36	C37	S2	H56	120.2°	90.0°
C36	C37	H55	H56	119.5°	90.0°
C36	C37	S2	C38	165.9°	90.0°
C36	C37	S2	O11	74.8°	90.0°
C36	C37	S2	O12	55.9°	90.0°
H53	C36	C37	S2	48.5°	90.0°
H53	C36	C37	H55	168.7°	90.0°
H53	C36	C37	H56	71.7°	90.0°
H54	C36	C37	S2	70.8°	90.0°
H54	C36	C37	H55	49.4°	90.0°
H54	C36	C37	H56	169.1°	90.0°
S2	C37	H55	H56	119.5°	90.0°
C37	S2	C38	O11	115.7°	90.0°
C37	S2	C38	O12	115.5°	90.0°
C37	S2	O11	O12	126.3°	90.0°
C37	S2	C38	H57	180.0°	90.0°
C37	S2	C38	H58	60.0°	90.0°
C37	S2	C38	H59	60.0°	90.0°
H55	C37	S2	C38	73.9°	90.0°
H55	C37	S2	O11	45.4°	90.0°
H55	C37	S2	O12	176.1°	90.0°
H56	C37	S2	C38	45.7°	90.0°
H56	C37	S2	O11	165.1°	90.0°
H56	C37	S2	O12	64.3°	90.0°
C38	S2	O11	O12	120.3°	90.0°
S2	C38	H57	H58	120.0°	90.0°
S2	C38	H57	H59	120.0°	90.0°
S2	C38	H58	H59	120.0°	90.0°
O11	S2	C38	H57	64.2°	90.0°
O11	S2	C38	H58	55.7°	90.0°
O11	S2	C38	H59	175.8°	90.0°
O12	S2	C38	H57	64.5°	90.0°
O12	S2	C38	H58	175.6°	90.0°
O12	S2	C38	H59	55.5°	90.0°
H57	C38	H58	H59	120.0°	90.0°
O10	C39	N6	C40	9.1°	90.0°
O10	C39	N6	C44	174.8°	90.0°
C40	N6	C44	C39	176.4°	90.0°
N6	C40	C41	C42	127.5°	90.0°
N6	C40	C41	H60	114.7°	90.0°
N6	C40	C42	H60	114.3°	90.0°
N6	C40	C41	O13	48.1°	90.0°
N6	C40	C42	C43	17.5°	90.0°
N6	C40	C42	H61	101.2°	90.0°
N6	C40	C42	H62	136.2°	90.0°
C40	N6	C44	C43	26.1°	90.0°
C40	N6	C44	C48	97.0°	90.0°
C40	N6	C44	H64	142.2°	90.0°
N6	C40	C41	N7	140.3°	90.0°
C44	N6	C40	C41	126.0°	90.0°
C44	N6	C40	C42	5.5°	90.0°
C44	N6	C40	H60	119.6°	90.0°
N6	C44	C43	C42	37.4°	90.0°
N6	C44	C43	C48	121.7°	90.0°
N6	C44	C43	H64	116.7°	90.0°
N6	C44	C43	C45	163.8°	90.0°
N6	C44	C43	H63	76.0°	90.0°
N6	C44	C48	H64	121.3°	90.0°
N6	C44	C48	C47	165.5°	90.0°
N6	C44	C48	H71	74.3°	90.0°
N6	C44	C48	H72	45.3°	90.0°
C41	C40	C42	H60	117.8°	90.0°
C40	C41	O13	N7	171.4°	90.0°
C41	C40	C42	C43	145.4°	90.0°
C41	C40	C42	H61	26.7°	90.0°
C41	C40	C42	H62	95.9°	90.0°
C40	C41	N7	C49	177.0°	90.0°
C41	C40	N6	C39	51.0°	90.0°
C42	C40	C41	O13	79.4°	90.0°
C40	C42	C43	H61	118.7°	90.0°
C40	C42	C43	H62	118.7°	90.0°
C40	C42	H61	H62	123.8°	90.0°
C40	C42	C43	C44	32.9°	90.0°
C40	C42	C43	C45	161.0°	90.0°
C40	C42	C43	H63	80.5°	90.0°
C42	C40	N6	C39	177.5°	90.0°
C42	C40	C41	N7	92.3°	90.0°
H60	C40	C41	O13	162.7°	90.0°
H60	C40	C42	C43	96.8°	90.0°
H60	C40	C42	H61	144.5°	90.0°
H60	C40	C42	H62	21.9°	90.0°
H60	C40	N6	C39	63.4°	90.0°
H60	C40	C41	N7	25.6°	90.0°
O13	C41	N7	C49	5.6°	90.0°
C43	C42	H61	H62	123.7°	90.0°
C42	C43	C44	C45	126.4°	90.0°
C42	C43	C44	H63	113.5°	90.0°
C42	C43	C45	H63	118.5°	90.0°
C42	C43	C44	C48	84.2°	90.0°
C42	C43	C44	H64	154.2°	90.0°
C42	C43	C45	C46	80.3°	90.0°
C42	C43	C45	H65	40.0°	90.0°
C42	C43	C45	H66	159.4°	90.0°
H61	C42	C43	C44	85.8°	90.0°
H61	C42	C43	C45	42.3°	90.0°
H61	C42	C43	H63	160.8°	90.0°
H62	C42	C43	C44	151.6°	90.0°
H62	C42	C43	C45	80.3°	90.0°
H62	C42	C43	H63	38.2°	90.0°
C44	C43	C45	H63	120.0°	90.0°
C43	C44	C48	H64	121.5°	90.0°
C44	C43	C45	C46	41.2°	90.0°
C44	C43	C45	H65	161.5°	90.0°
C44	C43	C45	H66	79.1°	90.0°
C43	C44	C48	C47	48.3°	90.0°
C43	C44	C48	H71	168.5°	90.0°
C43	C44	C48	H72	71.9°	90.0°
C43	C44	N6	C39	157.4°	90.0°
C45	C43	C44	C48	42.2°	90.0°
C45	C43	C44	H64	79.5°	90.0°
C43	C45	C46	H65	120.3°	90.0°
C43	C45	C46	H66	120.3°	90.0°
C43	C45	H65	H66	119.1°	90.0°
C43	C45	C46	C47	49.9°	90.0°
C43	C45	C46	H67	70.8°	90.0°
C43	C45	C46	H68	170.7°	90.0°
H63	C43	C44	C48	162.3°	90.0°
H63	C43	C44	H64	40.7°	90.0°
H63	C43	C45	C46	161.2°	90.0°
H63	C43	C45	H65	78.5°	90.0°
H63	C43	C45	H66	40.9°	90.0°
C44	C48	C47	C46	56.3°	90.0°
C44	C48	C47	H71	120.2°	90.0°
C44	C48	C47	H72	120.2°	90.0°
C44	C48	C47	H69	176.5°	90.0°
C44	C48	C47	H70	63.9°	90.0°
C44	C48	H71	H72	119.4°	90.0°
C48	C44	N6	C39	79.4°	90.0°
H64	C44	C48	C47	73.2°	90.0°
H64	C44	C48	H71	47.0°	90.0°
H64	C44	C48	H72	166.6°	90.0°
H64	C44	N6	C39	41.4°	90.0°
C46	C45	H65	H66	119.1°	90.0°
C45	C46	C47	H67	120.7°	90.0°
C45	C46	C47	H68	120.7°	90.0°
C45	C46	H67	H68	117.8°	90.0°
C45	C46	C47	C48	58.6°	90.0°
C45	C46	C47	H69	178.8°	90.0°
C45	C46	C47	H70	61.6°	90.0°
H65	C45	C46	C47	170.2°	90.0°
H65	C45	C46	H67	49.5°	90.0°
H65	C45	C46	H68	69.0°	90.0°
H66	C45	C46	C47	70.4°	90.0°
H66	C45	C46	H67	168.9°	90.0°
H66	C45	C46	H68	50.4°	90.0°
C47	C46	H67	H68	117.8°	90.0°
C46	C47	C48	H69	120.2°	90.0°
C46	C47	C48	H70	120.2°	90.0°
C46	C47	H69	H70	119.4°	90.0°
C46	C47	C48	H71	176.5°	90.0°
C46	C47	C48	H72	63.9°	90.0°
H67	C46	C47	C48	62.1°	90.0°
H67	C46	C47	H69	58.1°	90.0°
H67	C46	C47	H70	177.6°	90.0°
H68	C46	C47	C48	179.4°	90.0°
H68	C46	C47	H69	60.4°	90.0°
H68	C46	C47	H70	59.1°	90.0°
C48	C47	H69	H70	119.4°	90.0°
C47	C48	H71	H72	119.4°	90.0°
H69	C47	C48	H71	63.3°	90.0°
H69	C47	C48	H72	56.3°	90.0°
H70	C47	C48	H71	56.3°	90.0°
H70	C47	C48	H72	175.9°	90.0°
N7	C49	P1	O15	62.8°	90.0°
N7	C49	P1	C50	115.2°	90.0°
N7	C49	P1	H73	120.6°	90.0°
N7	C49	P1	O14	166.9°	90.0°
N7	C49	C50	H73	121.5°	90.0°
N7	C49	C50	C51	82.0°	90.0°
N7	C49	P1	O16	118.0°	90.0°
N7	C49	C50	H74	38.6°	90.0°
N7	C49	C50	H75	157.4°	90.0°
O15	P1	C49	O14	130.3°	90.0°
O15	P1	C49	O16	55.1°	90.0°
O15	P1	O14	O16	15.8°	90.0°
O15	P1	C49	C50	178.0°	90.0°
O15	P1	C49	H73	57.8°	90.0°
O15	P1	O14	H79	0.0°	90.0°
O15	P1	O16	H80	90.0°	90.0°
C49	P1	O14	O16	145.5°	90.0°
P1	C49	C50	H73	122.2°	90.0°
P1	C49	C50	C51	161.7°	90.0°
P1	C49	C50	H74	77.7°	90.0°
P1	C49	C50	H75	41.1°	90.0°
C49	P1	O14	H79	129.7°	90.0°
C49	P1	O16	H80	90.0°	90.0°
P1	C49	N7	C41	113.6°	90.0°
O14	P1	C49	C50	51.7°	90.0°
O14	P1	C49	H73	72.5°	90.0°
O14	P1	O16	H80	90.0°	90.0°
C49	C50	C51	H74	120.6°	90.0°
C49	C50	C51	H75	120.6°	90.0°
C50	C49	P1	O16	126.8°	90.0°
C49	C50	H74	H75	118.1°	90.0°
C49	C50	C51	H76	180.0°	90.0°
C49	C50	C51	H77	60.0°	90.0°
C49	C50	C51	H78	60.0°	90.0°
C50	C49	N7	C41	125.7°	90.0°
C51	C50	C49	H73	39.5°	90.0°
C51	C50	H74	H75	118.1°	90.0°
C50	C51	H76	H77	120.0°	90.0°
C50	C51	H76	H78	120.0°	90.0°
C50	C51	H77	H78	120.0°	90.0°
O16	P1	C49	H73	2.6°	90.0°
O16	P1	O14	H79	15.8°	90.0°
H73	C49	C50	H74	160.1°	90.0°
H73	C49	C50	H75	81.1°	90.0°
H73	C49	N7	C41	4.4°	90.0°
H74	C50	C51	H76	59.4°	90.0°
H74	C50	C51	H77	179.4°	90.0°
H74	C50	C51	H78	60.6°	90.0°
H75	C50	C51	H76	59.4°	90.0°
H75	C50	C51	H77	60.6°	90.0°
H75	C50	C51	H78	179.4°	90.0°
H76	C51	H77	H78	120.0°	90.0°

Release date:	2015-02-11
Last modified:	2023-11-03
Processing site:	PDBE