PRD_001074

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.46Å
C1	C3	sing	0.00Å	1.41Å
C1	H1	sing	0.00Å	1.10Å
C3	H2	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
N1	C4	sing	0.00Å	1.44Å
C4	C5	sing	0.00Å	1.48Å
C4	C6	doub	0.00Å	1.35Å
C5	O1	doub	0.00Å	1.22Å
C6	S1	sing	0.00Å	1.75Å
N1	H4	sing	0.00Å	1.00Å
C6	H5	sing	0.00Å	1.08Å
N2	C7	sing	0.00Å	1.47Å
N2	H6	sing	0.00Å	1.00Å
C7	C8	sing	0.00Å	1.52Å
C7	C9	sing	0.00Å	1.55Å
C7	H7	sing	0.00Å	1.10Å
C9	C10	sing	0.00Å	1.53Å
C9	H8	sing	0.00Å	1.10Å
C9	H9	sing	0.00Å	1.10Å
C10	O2	doub	0.00Å	1.23Å
C10	N3	sing	0.00Å	1.36Å
N3	C11	sing	0.00Å	1.47Å
N3	H10	sing	0.00Å	1.00Å
C11	H11	sing	0.00Å	1.10Å
C11	H12	sing	0.00Å	1.10Å
C11	H13	sing	0.00Å	1.10Å
N4	C12	sing	0.00Å	1.47Å
C12	C13	sing	0.00Å	1.49Å
C12	C14	doub	0.00Å	1.36Å
C13	O3	doub	0.00Å	1.22Å
C14	S2	sing	0.00Å	1.76Å
C14	C15	sing	0.00Å	1.51Å
N4	H14	sing	0.00Å	1.00Å
C15	H15	sing	0.00Å	1.10Å
C15	H16	sing	0.00Å	1.10Å
C15	H17	sing	0.00Å	1.10Å
N5	C16	sing	0.00Å	1.46Å
N5	H18	sing	0.00Å	1.00Å
C16	C17	sing	0.00Å	1.53Å
C16	C18	sing	0.00Å	1.55Å
C16	H19	sing	0.00Å	1.10Å
C18	C19	sing	0.00Å	1.54Å
C18	C20	sing	0.00Å	1.53Å
C18	H20	sing	0.00Å	1.10Å
C19	H21	sing	0.00Å	1.10Å
C19	H22	sing	0.00Å	1.10Å
C19	H23	sing	0.00Å	1.10Å
C20	H24	sing	0.00Å	1.10Å
C20	H25	sing	0.00Å	1.10Å
C20	H26	sing	0.00Å	1.10Å
N6	C21	sing	0.00Å	1.47Å
C21	C22	sing	0.00Å	1.50Å
C21	C23	doub	0.00Å	1.36Å
C22	O4	doub	0.00Å	1.23Å
C23	S3	sing	0.00Å	1.76Å
C23	C24	sing	0.00Å	1.52Å
C24	O5	sing	0.00Å	1.43Å
O5	C25	sing	0.00Å	1.43Å
N6	H27	sing	0.00Å	1.00Å
C24	H28	sing	0.00Å	1.10Å
C24	H29	sing	0.00Å	1.10Å
C25	H30	sing	0.00Å	1.10Å
C25	H31	sing	0.00Å	1.10Å
C25	H32	sing	0.00Å	1.10Å
N7	C26	sing	0.00Å	1.46Å
N7	H33	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.52Å
C26	H34	sing	0.00Å	1.10Å
C26	H35	sing	0.00Å	1.10Å
C27	O6	doub	0.00Å	1.22Å
N8	C28	sing	0.00Å	1.45Å
C28	C29	sing	0.00Å	1.50Å
C28	C30	sing	0.00Å	1.52Å
C30	O7	sing	0.00Å	1.32Å
C30	C31	sing	0.00Å	1.47Å
C31	C32	sing	0.00Å	1.43Å	Aromatic
C31	C36	doub	0.00Å	1.42Å	Aromatic
C32	C33	doub	0.00Å	1.41Å	Aromatic
C33	C34	sing	0.00Å	1.41Å	Aromatic
C34	C35	doub	0.00Å	1.42Å	Aromatic
C35	C36	sing	0.00Å	1.42Å	Aromatic
N8	H36	sing	0.00Å	1.00Å
C28	H37	sing	0.00Å	1.10Å
C30	H38	sing	0.00Å	1.10Å
O7	H39	sing	0.00Å	0.95Å
C32	H40	sing	0.00Å	1.08Å
C36	H41	sing	0.00Å	1.08Å
C33	H42	sing	0.00Å	1.08Å
C34	H43	sing	0.00Å	1.08Å
C35	H44	sing	0.00Å	1.08Å
N9	C37	sing	0.00Å	1.45Å
C37	C38	sing	0.00Å	1.44Å
C37	C39	doub	0.00Å	1.35Å
C39	S4	sing	0.00Å	1.75Å
N9	H45	sing	0.00Å	1.00Å
C39	H46	sing	0.00Å	1.08Å
N10	C40	sing	0.00Å	1.47Å
C40	C41	sing	0.00Å	1.47Å
C40	C42	doub	0.00Å	1.35Å
C42	S5	sing	0.00Å	1.75Å
N10	H47	sing	0.00Å	1.00Å
C42	H48	sing	0.00Å	1.08Å
N11	C43	doub	0.00Å	1.35Å
C43	C44	sing	0.00Å	1.45Å
C43	C45	sing	0.00Å	1.41Å
C45	H49	sing	0.00Å	1.10Å
C45	H50	sing	0.00Å	1.10Å
N12	H51	sing	0.00Å	1.00Å
C46	N12	sing	0.00Å	1.46Å
C46	N13	sing	0.00Å	1.49Å
C47	C46	doub	0.00Å	1.35Å
C47	S6	sing	0.00Å	1.76Å
C48	N13	sing	0.00Å	1.36Å
C48	C53	sing	0.00Å	1.53Å
O8	C48	doub	0.00Å	1.23Å
C49	C54	sing	0.00Å	1.53Å
C50	C49	sing	0.00Å	1.54Å
C50	C51	sing	0.00Å	1.55Å
C51	C52	sing	0.00Å	1.54Å
C52	C53	sing	0.00Å	1.54Å
C54	C53	sing	0.00Å	1.54Å
C55	C50	sing	0.00Å	1.53Å
C55	O10	sing	0.00Å	1.22Å
O9	C55	doub	0.00Å	1.20Å
N13	H52	sing	0.00Å	1.00Å
C47	H53	sing	0.00Å	1.08Å
C49	H54	sing	0.00Å	1.10Å
C49	H55	sing	0.00Å	1.10Å
C50	H56	sing	0.00Å	1.10Å
C51	H57	sing	0.00Å	1.10Å
C51	H58	sing	0.00Å	1.10Å
C52	H59	sing	0.00Å	1.10Å
C52	H60	sing	0.00Å	1.10Å
C53	H61	sing	0.00Å	1.10Å
C54	H62	sing	0.00Å	1.10Å
C54	H63	sing	0.00Å	1.10Å
O10	H64	sing	0.00Å	0.95Å
C1	C41	sing	0.00Å	1.41Å
C2	S1	sing	0.00Å	1.77Å
C2	N1	sing	0.00Å	1.36Å
C3	C45	sing	0.00Å	1.40Å
C5	N2	sing	0.00Å	1.35Å
C8	S2	sing	0.00Å	1.74Å
C8	N4	sing	0.00Å	1.33Å
C13	N5	sing	0.00Å	1.35Å
C17	N6	sing	0.00Å	1.34Å
C17	S3	sing	0.00Å	1.75Å
C22	N7	sing	0.00Å	1.35Å
C27	N8	sing	0.00Å	1.34Å
C29	N9	sing	0.00Å	1.31Å
C29	S4	sing	0.00Å	1.76Å
C38	S5	sing	0.00Å	1.77Å
C38	N10	sing	0.00Å	1.33Å
C41	N11	sing	0.00Å	1.35Å
C44	N12	sing	0.00Å	1.34Å
C44	S6	sing	0.00Å	1.76Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	117.5°	90.0°
C2	C1	H1	91.6°	90.0°
C2	C1	C41	123.6°	90.0°
C1	C2	S1	125.6°	90.0°
C1	C2	N1	123.6°	90.0°
C3	C1	H1	91.6°	90.0°
C1	C3	H2	106.9°	90.0°
C1	C3	H3	106.9°	90.0°
C3	C1	C41	118.7°	90.0°
C1	C3	C45	119.4°	90.0°
H1	C1	C41	91.7°	90.0°
H2	C3	H3	109.5°	90.0°
H2	C3	C45	106.9°	90.0°
H3	C3	C45	106.9°	90.0°
N1	C4	C5	122.8°	90.0°
N1	C4	C6	113.2°	90.0°
C4	N1	H4	108.5°	90.0°
C4	N1	C2	113.3°	90.0°
C5	C4	C6	124.0°	90.0°
C4	C5	O1	118.1°	90.0°
C4	C5	N2	117.8°	90.0°
C4	C6	S1	111.8°	90.0°
C4	C6	H5	124.1°	90.0°
O1	C5	N2	124.1°	90.0°
S1	C6	H5	124.1°	90.0°
C6	S1	C2	90.9°	90.0°
H4	N1	C2	108.5°	90.0°
C7	N2	H6	120.0°	90.0°
N2	C7	C8	116.4°	90.0°
N2	C7	C9	110.3°	90.0°
N2	C7	H7	105.7°	90.0°
C7	N2	C5	120.1°	90.0°
H6	N2	C5	120.0°	90.0°
C8	C7	C9	113.3°	90.0°
C8	C7	H7	105.3°	90.0°
C7	C8	S2	126.1°	90.0°
C7	C8	N4	121.2°	90.0°
C9	C7	H7	104.9°	90.0°
C7	C9	C10	114.6°	90.0°
C7	C9	H8	108.1°	90.0°
C7	C9	H9	108.2°	90.0°
C10	C9	H8	108.2°	90.0°
C10	C9	H9	108.1°	90.0°
C9	C10	O2	122.2°	90.0°
C9	C10	N3	113.0°	90.0°
H8	C9	H9	109.5°	90.0°
O2	C10	N3	124.7°	90.0°
C10	N3	C11	118.1°	90.0°
C10	N3	H10	120.9°	90.0°
C11	N3	H10	121.0°	90.0°
N3	C11	H11	109.5°	90.0°
N3	C11	H12	109.5°	90.0°
N3	C11	H13	109.5°	90.0°
H11	C11	H12	109.5°	90.0°
H11	C11	H13	109.5°	90.0°
H12	C11	H13	109.5°	90.0°
N4	C12	C13	119.9°	90.0°
N4	C12	C14	111.7°	90.0°
C12	N4	H14	108.5°	90.0°
C12	N4	C8	113.3°	90.0°
C13	C12	C14	128.3°	90.0°
C12	C13	O3	120.9°	90.0°
C12	C13	N5	114.0°	90.0°
C12	C14	S2	111.6°	90.0°
C12	C14	C15	128.5°	90.0°
O3	C13	N5	124.7°	90.0°
S2	C14	C15	119.9°	90.0°
C14	S2	C8	90.9°	90.0°
C14	C15	H15	109.5°	90.0°
C14	C15	H16	109.5°	90.0°
C14	C15	H17	109.5°	90.0°
H14	N4	C8	108.5°	90.0°
H15	C15	H16	109.4°	90.0°
H15	C15	H17	109.4°	90.0°
H16	C15	H17	109.5°	90.0°
C16	N5	H18	117.7°	90.0°
N5	C16	C17	109.9°	90.0°
N5	C16	C18	111.1°	90.0°
N5	C16	H19	108.6°	90.0°
C16	N5	C13	124.5°	90.0°
H18	N5	C13	117.8°	90.0°
C17	C16	C18	111.6°	90.0°
C17	C16	H19	107.9°	90.0°
C16	C17	N6	121.4°	90.0°
C16	C17	S3	125.6°	90.0°
C18	C16	H19	107.6°	90.0°
C16	C18	C19	112.3°	90.0°
C16	C18	C20	111.4°	90.0°
C16	C18	H20	106.7°	90.0°
C19	C18	C20	112.2°	90.0°
C19	C18	H20	106.8°	90.0°
C18	C19	H21	109.5°	90.0°
C18	C19	H22	109.5°	90.0°
C18	C19	H23	109.4°	90.0°
C20	C18	H20	106.9°	90.0°
C18	C20	H24	109.5°	90.0°
C18	C20	H25	109.5°	90.0°
C18	C20	H26	109.5°	90.0°
H21	C19	H22	109.5°	90.0°
H21	C19	H23	109.5°	90.0°
H22	C19	H23	109.5°	90.0°
H24	C20	H25	109.5°	90.0°
H24	C20	H26	109.4°	90.0°
H25	C20	H26	109.5°	90.0°
N6	C21	C22	120.5°	90.0°
N6	C21	C23	110.8°	90.0°
C21	N6	H27	108.3°	90.0°
C21	N6	C17	114.1°	90.0°
C22	C21	C23	128.6°	90.0°
C21	C22	O4	120.6°	90.0°
C21	C22	N7	116.1°	90.0°
C21	C23	S3	112.0°	90.0°
C21	C23	C24	128.2°	90.0°
O4	C22	N7	123.3°	90.0°
S3	C23	C24	119.8°	90.0°
C23	S3	C17	91.0°	90.0°
C23	C24	O5	110.3°	90.0°
C23	C24	H28	109.3°	90.0°
C23	C24	H29	109.3°	90.0°
C24	O5	C25	112.6°	90.0°
O5	C24	H28	109.3°	90.0°
O5	C24	H29	109.2°	90.0°
O5	C25	H30	109.5°	90.0°
O5	C25	H31	109.5°	90.0°
O5	C25	H32	109.5°	90.0°
H27	N6	C17	108.3°	90.0°
H28	C24	H29	109.5°	90.0°
H30	C25	H31	109.5°	90.0°
H30	C25	H32	109.5°	90.0°
H31	C25	H32	109.5°	90.0°
C26	N7	H33	119.6°	90.0°
N7	C26	C27	116.9°	90.0°
N7	C26	H34	107.6°	90.0°
N7	C26	H35	107.6°	90.0°
C26	N7	C22	120.8°	90.0°
H33	N7	C22	119.6°	90.0°
C27	C26	H34	107.6°	90.0°
C27	C26	H35	107.6°	90.0°
C26	C27	O6	123.0°	90.0°
C26	C27	N8	111.3°	90.0°
H34	C26	H35	109.5°	90.0°
O6	C27	N8	125.6°	90.0°
N8	C28	C29	114.3°	90.0°
N8	C28	C30	109.0°	90.0°
C28	N8	H36	118.4°	90.0°
N8	C28	H37	109.1°	90.0°
C28	N8	C27	123.1°	90.0°
C29	C28	C30	107.6°	90.0°
C29	C28	H37	108.5°	90.0°
C28	C29	N9	117.8°	90.0°
C28	C29	S4	129.3°	90.0°
C28	C30	O7	109.4°	90.0°
C28	C30	C31	108.4°	90.0°
C30	C28	H37	108.3°	90.0°
C28	C30	H38	107.9°	90.0°
O7	C30	C31	111.6°	90.0°
O7	C30	H38	110.8°	90.0°
C30	O7	H39	109.5°	90.0°
C30	C31	C32	119.6°	90.0°
C30	C31	C36	119.2°	90.0°
C31	C30	H38	108.6°	90.0°
C32	C31	C36	121.0°	90.0°
C31	C32	C33	119.8°	90.0°
C31	C32	H40	120.1°	90.0°
C31	C36	C35	119.2°	90.0°
C31	C36	H41	120.4°	90.0°
C32	C33	C34	119.0°	90.0°
C33	C32	H40	120.1°	90.0°
C32	C33	H42	120.5°	90.0°
C33	C34	C35	121.8°	90.0°
C34	C33	H42	120.5°	90.0°
C33	C34	H43	119.1°	90.0°
C34	C35	C36	119.1°	90.0°
C35	C34	H43	119.1°	90.0°
C34	C35	H44	120.4°	90.0°
C35	C36	H41	120.4°	90.0°
C36	C35	H44	120.4°	90.0°
H36	N8	C27	118.4°	90.0°
N9	C37	C38	120.1°	90.0°
N9	C37	C39	114.4°	90.0°
C37	N9	H45	108.8°	90.0°
C37	N9	C29	112.2°	90.0°
C38	C37	C39	125.4°	90.0°
C37	C38	S5	123.1°	90.0°
C37	C38	N10	125.8°	90.0°
C37	C39	S4	109.8°	90.0°
C37	C39	H46	125.1°	90.0°
S4	C39	H46	125.1°	90.0°
C39	S4	C29	90.6°	90.0°
H45	N9	C29	108.8°	90.0°
N10	C40	C41	125.8°	90.0°
N10	C40	C42	112.4°	90.0°
C40	N10	H47	108.5°	90.0°
C40	N10	C38	113.5°	90.0°
C41	C40	C42	121.7°	90.0°
C40	C41	C1	122.5°	90.0°
C40	C41	N11	116.0°	90.0°
C40	C42	S5	111.8°	90.0°
C40	C42	H48	124.1°	90.0°
S5	C42	H48	124.1°	90.0°
C42	S5	C38	91.3°	90.0°
H47	N10	C38	108.5°	90.0°
N11	C43	C44	117.9°	90.0°
N11	C43	C45	122.1°	90.0°
C43	N11	C41	120.1°	90.0°
C44	C43	C45	120.0°	90.0°
C43	C44	N12	124.0°	90.0°
C43	C44	S6	125.2°	90.0°
C43	C45	H49	107.2°	90.0°
C43	C45	H50	107.2°	90.0°
C43	C45	C3	118.3°	90.0°
H49	C45	H50	109.5°	90.0°
H49	C45	C3	107.2°	90.0°
H50	C45	C3	107.2°	90.0°
H51	N12	C46	108.3°	90.0°
H51	N12	C44	108.3°	90.0°
N12	C46	N13	120.2°	90.0°
N12	C46	C47	112.0°	90.0°
C46	N12	C44	114.1°	90.0°
N13	C46	C47	127.8°	90.0°
C46	N13	C48	123.1°	90.0°
C46	N13	H52	118.5°	90.0°
C46	C47	S6	112.0°	90.0°
C46	C47	H53	124.0°	90.0°
S6	C47	H53	124.0°	90.0°
C47	S6	C44	91.1°	90.0°
N13	C48	C53	111.8°	90.0°
N13	C48	O8	125.3°	90.0°
C48	N13	H52	118.4°	90.0°
C53	C48	O8	122.0°	90.0°
C48	C53	C52	110.8°	90.0°
C48	C53	C54	110.5°	90.0°
C48	C53	H61	107.9°	90.0°
C54	C49	C50	110.8°	90.0°
C49	C54	C53	111.4°	90.0°
C54	C49	H54	109.2°	90.0°
C54	C49	H55	109.2°	90.0°
C49	C54	H62	109.0°	90.0°
C49	C54	H63	109.0°	90.0°
C49	C50	C51	111.9°	90.0°
C49	C50	C55	110.0°	90.0°
C50	C49	H54	109.2°	90.0°
C50	C49	H55	109.1°	90.0°
C49	C50	H56	107.8°	90.0°
C50	C51	C52	110.7°	90.0°
C51	C50	C55	111.6°	90.0°
C51	C50	H56	107.6°	90.0°
C50	C51	H57	109.2°	90.0°
C50	C51	H58	109.2°	90.0°
C51	C52	C53	111.0°	90.0°
C52	C51	H57	109.1°	90.0°
C52	C51	H58	109.2°	90.0°
C51	C52	H59	109.1°	90.0°
C51	C52	H60	109.1°	90.0°
C52	C53	C54	112.1°	90.0°
C53	C52	H59	109.1°	90.0°
C53	C52	H60	109.1°	90.0°
C52	C53	H61	107.7°	90.0°
C54	C53	H61	107.7°	90.0°
C53	C54	H62	109.0°	90.0°
C53	C54	H63	109.0°	90.0°
C50	C55	O10	119.6°	90.0°
C50	C55	O9	118.5°	90.0°
C55	C50	H56	107.8°	90.0°
O10	C55	O9	121.9°	90.0°
C55	O10	H64	109.5°	90.0°
H54	C49	H55	109.4°	90.0°
H57	C51	H58	109.5°	90.0°
H59	C52	H60	109.4°	90.0°
H62	C54	H63	109.5°	90.0°
C1	C41	N11	121.3°	90.0°
S1	C2	N1	110.7°	90.0°
S2	C8	N4	112.3°	90.0°
N6	C17	S3	111.6°	90.0°
N9	C29	S4	112.3°	90.0°
S5	C38	N10	111.0°	90.0°
N12	C44	S6	110.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	92.7°	90.0°
C2	C1	C3	C41	174.5°	90.0°
C2	C1	H1	C41	123.7°	90.0°
C2	C1	C3	H2	63.4°	90.0°
C2	C1	C3	H3	53.8°	90.0°
C1	C2	N1	C4	178.1°	90.0°
C1	C2	S1	C6	179.0°	90.0°
C1	C2	N1	H4	61.3°	90.0°
C2	C1	C41	C40	2.3°	90.0°
C1	C2	S1	N1	178.8°	90.0°
C2	C1	C3	C45	175.2°	90.0°
C2	C1	C41	N11	173.0°	90.0°
C3	C1	H1	C41	118.7°	90.0°
C1	C3	H2	H3	115.5°	90.0°
C1	C3	H2	C45	129.0°	90.0°
C1	C3	H3	C45	129.0°	90.0°
C3	C1	C41	C40	176.5°	90.0°
C1	C3	C45	C43	1.5°	90.0°
C1	C3	C45	H49	122.8°	90.0°
C1	C3	C45	H50	119.7°	90.0°
C3	C1	C2	S1	42.5°	90.0°
C3	C1	C2	N1	136.2°	90.0°
C3	C1	C41	N11	1.2°	90.0°
H1	C1	C3	H2	29.2°	90.0°
H1	C1	C3	H3	146.4°	90.0°
H1	C1	C41	C40	90.7°	90.0°
H1	C1	C2	S1	50.2°	90.0°
H1	C1	C2	N1	131.1°	90.0°
H1	C1	C3	C45	92.2°	90.0°
H1	C1	C41	N11	94.0°	90.0°
H2	C3	H3	C45	115.5°	90.0°
H2	C3	C45	C43	122.9°	90.0°
H2	C3	C45	H49	115.8°	90.0°
H2	C3	C45	H50	1.7°	90.0°
H2	C3	C1	C41	122.0°	90.0°
H3	C3	C45	C43	119.9°	90.0°
H3	C3	C45	H49	1.4°	90.0°
H3	C3	C45	H50	118.9°	90.0°
H3	C3	C1	C41	120.8°	90.0°
N1	C4	C5	C6	177.7°	90.0°
N1	C4	C5	O1	179.3°	90.0°
N1	C4	C6	S1	0.8°	90.0°
C4	N1	H4	C2	123.5°	90.0°
N1	C4	C6	H5	179.2°	90.0°
C4	N1	C2	S1	3.0°	90.0°
N1	C4	C5	N2	0.2°	90.0°
C4	C5	O1	N2	179.0°	90.0°
C5	C4	C6	S1	177.1°	90.0°
C5	C4	N1	H4	64.1°	90.0°
C5	C4	C6	H5	2.9°	90.0°
C4	C5	N2	C7	175.8°	90.0°
C4	C5	N2	H6	4.2°	90.0°
C5	C4	N1	C2	175.4°	90.0°
C6	C4	C5	O1	3.1°	90.0°
C4	C6	S1	H5	180.0°	90.0°
C6	C4	N1	H4	118.0°	90.0°
C4	C6	S1	C2	0.7°	90.0°
C6	C4	N1	C2	2.5°	90.0°
C6	C4	C5	N2	177.9°	90.0°
O1	C5	N2	C7	5.2°	90.0°
O1	C5	N2	H6	174.8°	90.0°
C6	S1	C2	N1	2.1°	90.0°
H4	N1	C2	S1	117.6°	90.0°
H5	C6	S1	C2	179.3°	90.0°
C7	N2	H6	C5	180.0°	90.0°
N2	C7	C8	C9	129.4°	90.0°
N2	C7	C8	H7	116.6°	90.0°
N2	C7	C9	H7	113.3°	90.0°
N2	C7	C9	C10	52.3°	90.0°
N2	C7	C9	H8	173.1°	90.0°
N2	C7	C9	H9	68.4°	90.0°
N2	C7	C8	S2	11.0°	90.0°
N2	C7	C8	N4	176.7°	90.0°
H6	N2	C7	C8	88.2°	90.0°
H6	N2	C7	C9	42.6°	90.0°
H6	N2	C7	H7	155.5°	90.0°
C8	C7	C9	H7	114.3°	90.0°
C8	C7	C9	C10	80.1°	90.0°
C8	C7	C9	H8	40.7°	90.0°
C8	C7	C9	H9	159.2°	90.0°
C7	C8	N4	C12	168.6°	90.0°
C7	C8	S2	C14	168.6°	90.0°
C7	C8	N4	H14	48.1°	90.0°
C8	C7	N2	C5	91.8°	90.0°
C7	C8	S2	N4	172.9°	90.0°
C7	C9	C10	H8	120.7°	90.0°
C7	C9	C10	H9	120.8°	90.0°
C7	C9	H8	H9	117.7°	90.0°
C7	C9	C10	O2	7.4°	90.0°
C7	C9	C10	N3	173.2°	90.0°
C9	C7	N2	C5	137.3°	90.0°
C9	C7	C8	S2	118.4°	90.0°
C9	C7	C8	N4	53.9°	90.0°
H7	C7	C9	C10	165.7°	90.0°
H7	C7	C9	H8	73.6°	90.0°
H7	C7	C9	H9	44.9°	90.0°
H7	C7	N2	C5	24.5°	90.0°
H7	C7	C8	S2	127.6°	90.0°
H7	C7	C8	N4	60.1°	90.0°
C10	C9	H8	H9	117.6°	90.0°
C9	C10	O2	N3	179.4°	90.0°
C9	C10	N3	C11	179.2°	90.0°
C9	C10	N3	H10	0.8°	90.0°
H8	C9	C10	O2	128.2°	90.0°
H8	C9	C10	N3	52.4°	90.0°
H9	C9	C10	O2	113.3°	90.0°
H9	C9	C10	N3	66.1°	90.0°
O2	C10	N3	C11	0.2°	90.0°
O2	C10	N3	H10	179.8°	90.0°
C10	N3	C11	H10	180.0°	90.0°
C10	N3	C11	H11	180.0°	90.0°
C10	N3	C11	H12	60.0°	90.0°
C10	N3	C11	H13	60.0°	90.0°
N3	C11	H11	H12	120.0°	90.0°
N3	C11	H11	H13	120.0°	90.0°
N3	C11	H12	H13	120.0°	90.0°
H10	N3	C11	H11	0.0°	90.0°
H10	N3	C11	H12	120.0°	90.0°
H10	N3	C11	H13	120.0°	90.0°
H11	C11	H12	H13	120.0°	90.0°
N4	C12	C13	C14	178.4°	90.0°
N4	C12	C13	O3	178.2°	90.0°
N4	C12	C14	S2	0.8°	90.0°
N4	C12	C14	C15	179.3°	90.0°
C12	N4	H14	C8	123.5°	90.0°
C12	N4	C8	S2	4.7°	90.0°
N4	C12	C13	N5	4.8°	90.0°
C12	C13	O3	N5	172.6°	90.0°
C13	C12	C14	S2	179.3°	90.0°
C13	C12	C14	C15	2.2°	90.0°
C13	C12	N4	H14	55.5°	90.0°
C12	C13	N5	C16	176.1°	90.0°
C12	C13	N5	H18	3.9°	90.0°
C13	C12	N4	C8	176.1°	90.0°
C14	C12	C13	O3	3.4°	90.0°
C12	C14	S2	C15	178.7°	90.0°
C14	C12	N4	H14	123.1°	90.0°
C12	C14	C15	H15	178.4°	90.0°
C12	C14	C15	H16	58.5°	90.0°
C12	C14	C15	H17	61.6°	90.0°
C12	C14	S2	C8	2.8°	90.0°
C14	C12	N4	C8	2.5°	90.0°
C14	C12	C13	N5	176.8°	90.0°
O3	C13	N5	C16	10.9°	90.0°
O3	C13	N5	H18	169.1°	90.0°
S2	C14	C15	H15	0.0°	90.0°
S2	C14	C15	H16	120.0°	90.0°
S2	C14	C15	H17	120.0°	90.0°
C14	S2	C8	N4	4.3°	90.0°
C14	C15	H15	H16	120.0°	90.0°
C14	C15	H15	H17	120.0°	90.0°
C14	C15	H16	H17	120.0°	90.0°
C15	C14	S2	C8	178.5°	90.0°
H14	N4	C8	S2	125.2°	90.0°
H15	C15	H16	H17	120.0°	90.0°
C16	N5	H18	C13	180.0°	90.0°
N5	C16	C17	C18	123.8°	90.0°
N5	C16	C17	H19	118.3°	90.0°
N5	C16	C18	H19	118.8°	90.0°
N5	C16	C18	C19	54.5°	90.0°
N5	C16	C18	C20	178.6°	90.0°
N5	C16	C18	H20	62.2°	90.0°
N5	C16	C17	N6	37.7°	90.0°
N5	C16	C17	S3	127.5°	90.0°
H18	N5	C16	C17	52.0°	90.0°
H18	N5	C16	C18	72.1°	90.0°
H18	N5	C16	H19	169.8°	90.0°
C17	C16	C18	H19	118.1°	90.0°
C17	C16	C18	C19	68.6°	90.0°
C17	C16	C18	C20	58.3°	90.0°
C17	C16	C18	H20	174.7°	90.0°
C16	C17	N6	C21	159.4°	90.0°
C16	C17	S3	C23	160.1°	90.0°
C16	C17	N6	H27	38.7°	90.0°
C17	C16	N5	C13	128.0°	90.0°
C16	C17	N6	S3	167.1°	90.0°
C16	C18	C19	C20	126.5°	90.0°
C16	C18	C19	H20	116.7°	90.0°
C16	C18	C20	H20	116.3°	90.0°
C16	C18	C19	H21	180.0°	90.0°
C16	C18	C19	H22	60.0°	90.0°
C16	C18	C19	H23	60.0°	90.0°
C16	C18	C20	H24	180.0°	90.0°
C16	C18	C20	H25	60.0°	90.0°
C16	C18	C20	H26	60.0°	90.0°
C18	C16	N5	C13	107.9°	90.0°
C18	C16	C17	N6	86.0°	90.0°
C18	C16	C17	S3	108.7°	90.0°
H19	C16	C18	C19	173.2°	90.0°
H19	C16	C18	C20	59.8°	90.0°
H19	C16	C18	H20	56.5°	90.0°
H19	C16	N5	C13	10.2°	90.0°
H19	C16	C17	N6	156.0°	90.0°
H19	C16	C17	S3	9.2°	90.0°
C19	C18	C20	H20	116.8°	90.0°
C18	C19	H21	H22	120.0°	90.0°
C18	C19	H21	H23	120.0°	90.0°
C18	C19	H22	H23	120.0°	90.0°
C19	C18	C20	H24	53.1°	90.0°
C19	C18	C20	H25	67.0°	90.0°
C19	C18	C20	H26	173.0°	90.0°
C20	C18	C19	H21	53.5°	90.0°
C20	C18	C19	H22	173.5°	90.0°
C20	C18	C19	H23	66.5°	90.0°
C18	C20	H24	H25	120.0°	90.0°
C18	C20	H24	H26	120.0°	90.0°
C18	C20	H25	H26	120.0°	90.0°
H20	C18	C19	H21	63.4°	90.0°
H20	C18	C19	H22	56.7°	90.0°
H20	C18	C19	H23	176.7°	90.0°
H20	C18	C20	H24	63.7°	90.0°
H20	C18	C20	H25	176.2°	90.0°
H20	C18	C20	H26	56.2°	90.0°
H21	C19	H22	H23	120.0°	90.0°
H24	C20	H25	H26	119.9°	90.0°
N6	C21	C22	C23	176.6°	90.0°
N6	C21	C22	O4	175.8°	90.0°
N6	C21	C23	S3	0.2°	90.0°
N6	C21	C23	C24	178.7°	90.0°
C21	N6	H27	C17	124.2°	90.0°
C21	N6	C17	S3	7.7°	90.0°
N6	C21	C22	N7	4.5°	90.0°
C21	C22	O4	N7	179.6°	90.0°
C22	C21	C23	S3	177.1°	90.0°
C22	C21	C23	C24	1.7°	90.0°
C22	C21	N6	H27	56.9°	90.0°
C21	C22	N7	C26	178.3°	90.0°
C21	C22	N7	H33	1.7°	90.0°
C22	C21	N6	C17	177.6°	90.0°
C23	C21	C22	O4	7.6°	90.0°
C21	C23	S3	C24	179.0°	90.0°
C21	C23	C24	O5	164.5°	90.0°
C23	C21	N6	H27	125.9°	90.0°
C21	C23	C24	H28	75.4°	90.0°
C21	C23	C24	H29	44.4°	90.0°
C23	C21	N6	C17	5.2°	90.0°
C21	C23	S3	C17	3.4°	90.0°
C23	C21	C22	N7	172.1°	90.0°
O4	C22	N7	C26	1.4°	90.0°
O4	C22	N7	H33	178.6°	90.0°
S3	C23	C24	O5	16.8°	90.0°
S3	C23	C24	H28	103.4°	90.0°
S3	C23	C24	H29	136.9°	90.0°
C23	S3	C17	N6	6.3°	90.0°
C23	C24	O5	H28	120.1°	90.0°
C23	C24	O5	H29	120.1°	90.0°
C23	C24	O5	C25	80.9°	90.0°
C23	C24	H28	H29	119.6°	90.0°
C24	C23	S3	C17	177.7°	90.0°
O5	C24	H28	H29	119.6°	90.0°
C24	O5	C25	H30	180.0°	90.0°
C24	O5	C25	H31	60.0°	90.0°
C24	O5	C25	H32	60.0°	90.0°
C25	O5	C24	H28	159.0°	90.0°
C25	O5	C24	H29	39.3°	90.0°
O5	C25	H30	H31	120.0°	90.0°
O5	C25	H30	H32	120.0°	90.0°
O5	C25	H31	H32	120.0°	90.0°
H27	N6	C17	S3	128.4°	90.0°
H30	C25	H31	H32	120.0°	90.0°
C26	N7	H33	C22	180.0°	90.0°
N7	C26	C27	H34	121.1°	90.0°
N7	C26	C27	H35	121.1°	90.0°
N7	C26	H34	H35	116.6°	90.0°
N7	C26	C27	O6	13.0°	90.0°
N7	C26	C27	N8	169.3°	90.0°
H33	N7	C26	C27	89.8°	90.0°
H33	N7	C26	H34	149.2°	90.0°
H33	N7	C26	H35	31.3°	90.0°
C27	C26	H34	H35	116.6°	90.0°
C26	C27	O6	N8	177.3°	90.0°
C26	C27	N8	C28	179.5°	90.0°
C26	C27	N8	H36	0.5°	90.0°
C27	C26	N7	C22	90.2°	90.0°
H34	C26	C27	O6	108.0°	90.0°
H34	C26	N7	C22	30.8°	90.0°
H34	C26	C27	N8	69.6°	90.0°
H35	C26	C27	O6	134.1°	90.0°
H35	C26	N7	C22	148.7°	90.0°
H35	C26	C27	N8	48.2°	90.0°
O6	C27	N8	C28	2.9°	90.0°
O6	C27	N8	H36	177.1°	90.0°
N8	C28	C29	C30	121.1°	90.0°
N8	C28	C29	H37	121.9°	90.0°
N8	C28	C30	H37	118.6°	90.0°
N8	C28	C30	O7	179.7°	90.0°
N8	C28	C30	C31	58.4°	90.0°
C28	N8	H36	C27	180.0°	90.0°
N8	C28	C30	H38	59.1°	90.0°
N8	C28	C29	N9	119.9°	90.0°
N8	C28	C29	S4	69.3°	90.0°
C29	C28	C30	H37	117.0°	90.0°
C29	C28	C30	O7	55.3°	90.0°
C29	C28	C30	C31	177.2°	90.0°
C29	C28	N8	H36	117.4°	90.0°
C29	C28	C30	H38	65.4°	90.0°
C28	C29	N9	C37	164.0°	90.0°
C28	C29	S4	C39	163.3°	90.0°
C28	C29	N9	H45	43.6°	90.0°
C29	C28	N8	C27	62.6°	90.0°
C28	C29	N9	S4	172.3°	90.0°
C28	C30	O7	C31	120.1°	90.0°
C28	C30	O7	H38	118.9°	90.0°
C28	C30	C31	H38	117.0°	90.0°
C28	C30	C31	C32	54.0°	90.0°
C28	C30	C31	C36	121.6°	90.0°
C30	C28	N8	H36	2.9°	90.0°
C28	C30	O7	H39	180.0°	90.0°
C30	C28	N8	C27	177.0°	90.0°
C30	C28	C29	N9	119.0°	90.0°
C30	C28	C29	S4	51.8°	90.0°
O7	C30	C31	H38	122.4°	90.0°
O7	C30	C31	C32	66.6°	90.0°
O7	C30	C31	C36	117.8°	90.0°
O7	C30	C28	H37	61.8°	90.0°
C30	C31	C32	C36	175.5°	90.0°
C30	C31	C32	C33	179.2°	90.0°
C30	C31	C36	C35	178.3°	90.0°
C31	C30	C28	H37	60.2°	90.0°
C31	C30	O7	H39	59.9°	90.0°
C30	C31	C32	H40	0.8°	90.0°
C30	C31	C36	H41	1.7°	90.0°
C31	C32	C33	H40	180.0°	90.0°
C31	C32	C33	C34	2.5°	90.0°
C32	C31	C36	C35	2.7°	90.0°
C32	C31	C30	H38	171.0°	90.0°
C32	C31	C36	H41	177.2°	90.0°
C31	C32	C33	H42	177.5°	90.0°
C36	C31	C32	C33	3.7°	90.0°
C31	C36	C35	C34	0.7°	90.0°
C31	C36	C35	H41	180.0°	90.0°
C36	C31	C30	H38	4.6°	90.0°
C36	C31	C32	H40	176.3°	90.0°
C31	C36	C35	H44	179.3°	90.0°
C32	C33	C34	H42	180.0°	90.0°
C32	C33	C34	C35	0.5°	90.0°
C32	C33	C34	H43	179.5°	90.0°
C33	C34	C35	H43	180.0°	90.0°
C33	C34	C35	C36	0.4°	90.0°
C34	C33	C32	H40	177.5°	90.0°
C33	C34	C35	H44	179.6°	90.0°
C34	C35	C36	H44	180.0°	90.0°
C34	C35	C36	H41	179.3°	90.0°
C35	C34	C33	H42	179.5°	90.0°
C36	C35	C34	H43	179.6°	90.0°
H36	N8	C28	H37	121.0°	90.0°
H37	C28	C30	H38	177.6°	90.0°
H37	C28	N8	C27	59.0°	90.0°
H37	C28	C29	N9	2.0°	90.0°
H37	C28	C29	S4	168.7°	90.0°
H38	C30	O7	H39	61.1°	90.0°
H40	C32	C33	H42	2.5°	90.0°
H41	C36	C35	H44	0.7°	90.0°
H42	C33	C34	H43	0.5°	90.0°
H43	C34	C35	H44	0.4°	90.0°
N9	C37	C38	C39	177.7°	90.0°
N9	C37	C39	S4	1.6°	90.0°
C37	N9	H45	C29	122.5°	90.0°
N9	C37	C39	H46	178.4°	90.0°
C37	N9	C29	S4	8.3°	90.0°
N9	C37	C38	S5	0.8°	90.0°
N9	C37	C38	N10	178.0°	90.0°
C38	C37	C39	S4	176.2°	90.0°
C38	C37	N9	H45	57.2°	90.0°
C38	C37	C39	H46	3.8°	90.0°
C37	C38	N10	C40	177.7°	90.0°
C37	C38	S5	C42	177.3°	90.0°
C37	C38	N10	H47	61.7°	90.0°
C38	C37	N9	C29	177.6°	90.0°
C37	C38	S5	N10	177.5°	90.0°
C37	C39	S4	H46	180.0°	90.0°
C39	C37	N9	H45	124.8°	90.0°
C39	C37	N9	C29	4.5°	90.0°
C37	C39	S4	C29	5.1°	90.0°
C39	C37	C38	S5	178.5°	90.0°
C39	C37	C38	N10	4.4°	90.0°
C39	S4	C29	N9	7.9°	90.0°
H45	N9	C29	S4	128.7°	90.0°
H46	C39	S4	C29	174.9°	90.0°
N10	C40	C41	C42	176.5°	90.0°
N10	C40	C42	S5	1.0°	90.0°
C40	N10	H47	C38	123.6°	90.0°
N10	C40	C42	H48	179.0°	90.0°
N10	C40	C41	C1	31.5°	90.0°
C40	N10	C38	S5	0.3°	90.0°
N10	C40	C41	N11	153.0°	90.0°
C41	C40	C42	S5	176.0°	90.0°
C41	C40	N10	H47	55.3°	90.0°
C41	C40	C42	H48	4.0°	90.0°
C40	C41	N11	C43	177.7°	90.0°
C40	C41	C1	N11	175.3°	90.0°
C41	C40	N10	C38	175.9°	90.0°
C40	C42	S5	H48	180.0°	90.0°
C42	C40	N10	H47	121.5°	90.0°
C42	C40	C41	C1	145.0°	90.0°
C40	C42	S5	C38	0.7°	90.0°
C42	C40	N10	C38	0.9°	90.0°
C42	C40	C41	N11	30.5°	90.0°
C42	S5	C38	N10	0.2°	90.0°
H47	N10	C38	S5	120.9°	90.0°
H48	C42	S5	C38	179.3°	90.0°
N11	C43	C44	C45	180.0°	90.0°
N11	C43	C45	H49	121.9°	90.0°
N11	C43	C45	H50	120.6°	90.0°
C43	N11	C41	C1	2.1°	90.0°
N11	C43	C45	C3	0.7°	90.0°
N11	C43	C44	N12	179.9°	90.0°
N11	C43	C44	S6	1.2°	90.0°
C44	C43	C45	H49	58.0°	90.0°
C44	C43	C45	H50	59.5°	90.0°
C43	C44	N12	H51	58.7°	90.0°
C43	C44	N12	C46	179.4°	90.0°
C43	C44	S6	C47	178.6°	90.0°
C44	C43	C45	C3	179.3°	90.0°
C44	C43	N11	C41	178.9°	90.0°
C43	C44	N12	S6	179.0°	90.0°
C43	C45	H49	H50	116.0°	90.0°
C43	C45	H49	C3	128.0°	90.0°
C43	C45	H50	C3	128.0°	90.0°
C45	C43	N11	C41	1.2°	90.0°
C45	C43	C44	N12	0.1°	90.0°
C45	C43	C44	S6	178.8°	90.0°
H49	C45	H50	C3	116.0°	90.0°
H51	N12	C46	C44	120.7°	90.0°
H51	N12	C46	N13	60.0°	90.0°
H51	N12	C46	C47	120.2°	90.0°
H51	N12	C44	S6	122.2°	90.0°
N12	C46	N13	C47	179.7°	90.0°
N12	C46	C47	S6	2.2°	90.0°
N12	C46	N13	C48	178.2°	90.0°
N12	C46	N13	H52	1.8°	90.0°
N12	C46	C47	H53	177.7°	90.0°
C46	N12	C44	S6	1.6°	90.0°
N13	C46	C47	S6	177.5°	90.0°
C46	N13	C48	H52	180.0°	90.0°
C46	N13	C48	C53	175.0°	90.0°
C46	N13	C48	O8	6.4°	90.0°
N13	C46	C47	H53	2.5°	90.0°
N13	C46	N12	C44	179.3°	90.0°
C46	C47	S6	H53	180.0°	90.0°
C47	C46	N13	C48	2.1°	90.0°
C47	C46	N13	H52	177.9°	90.0°
C47	C46	N12	C44	0.4°	90.0°
C46	C47	S6	C44	2.7°	90.0°
C47	S6	C44	N12	2.4°	90.0°
N13	C48	C53	O8	169.0°	90.0°
N13	C48	C53	C52	61.1°	90.0°
N13	C48	C53	C54	63.8°	90.0°
N13	C48	C53	H61	178.7°	90.0°
C48	C53	C54	C49	179.2°	90.0°
C48	C53	C52	C51	178.9°	90.0°
C48	C53	C52	C54	124.0°	90.0°
C48	C53	C52	H61	117.7°	90.0°
C48	C53	C54	H61	117.6°	90.0°
C53	C48	N13	H52	5.0°	90.0°
C48	C53	C52	H59	60.8°	90.0°
C48	C53	C52	H60	58.6°	90.0°
C48	C53	C54	H62	59.0°	90.0°
C48	C53	C54	H63	60.5°	90.0°
O8	C48	C53	C52	129.9°	90.0°
O8	C48	C53	C54	105.2°	90.0°
O8	C48	N13	H52	173.6°	90.0°
O8	C48	C53	H61	12.3°	90.0°
C54	C49	C50	H54	120.2°	90.0°
C54	C49	C50	H55	120.2°	90.0°
C54	C49	C50	C51	55.8°	90.0°
C49	C54	C53	C52	55.0°	90.0°
C49	C54	C53	H62	120.3°	90.0°
C49	C54	C53	H63	120.3°	90.0°
C54	C49	C50	C55	179.6°	90.0°
C54	C49	H54	H55	119.4°	90.0°
C54	C49	C50	H56	62.3°	90.0°
C49	C54	C53	H61	63.2°	90.0°
C49	C54	H62	H63	119.1°	90.0°
C49	C50	C51	C55	123.7°	90.0°
C49	C50	C51	H56	118.2°	90.0°
C49	C50	C51	C52	55.8°	90.0°
C50	C49	C54	C53	54.9°	90.0°
C49	C50	C55	H56	117.2°	90.0°
C49	C50	C55	O10	126.7°	90.0°
C49	C50	C55	O9	55.7°	90.0°
C50	C49	H54	H55	119.4°	90.0°
C49	C50	C51	H57	64.4°	90.0°
C49	C50	C51	H58	176.0°	90.0°
C50	C49	C54	H62	65.4°	90.0°
C50	C49	C54	H63	175.2°	90.0°
C50	C51	C52	H57	120.2°	90.0°
C50	C51	C52	H58	120.2°	90.0°
C50	C51	C52	C53	54.6°	90.0°
C51	C50	C55	H56	117.9°	90.0°
C51	C50	C55	O10	1.9°	90.0°
C51	C50	C55	O9	179.5°	90.0°
C51	C50	C49	H54	64.4°	90.0°
C51	C50	C49	H55	176.0°	90.0°
C50	C51	H57	H58	119.5°	90.0°
C50	C51	C52	H59	174.9°	90.0°
C50	C51	C52	H60	65.6°	90.0°
C51	C52	C53	H59	120.3°	90.0°
C51	C52	C53	H60	120.3°	90.0°
C51	C52	C53	C54	54.9°	90.0°
C52	C51	C50	C55	179.5°	90.0°
C52	C51	C50	H56	62.4°	90.0°
C52	C51	H57	H58	119.4°	90.0°
C51	C52	H59	H60	119.3°	90.0°
C51	C52	C53	H61	63.4°	90.0°
C52	C53	C54	H61	118.2°	90.0°
C53	C52	C51	H57	65.5°	90.0°
C53	C52	C51	H58	174.8°	90.0°
C53	C52	H59	H60	119.3°	90.0°
C52	C53	C54	H62	65.2°	90.0°
C52	C53	C54	H63	175.3°	90.0°
C53	C54	C49	H54	65.3°	90.0°
C53	C54	C49	H55	175.1°	90.0°
C54	C53	C52	H59	175.1°	90.0°
C54	C53	C52	H60	65.4°	90.0°
C53	C54	H62	H63	119.1°	90.0°
C50	C55	O10	O9	177.5°	90.0°
C55	C50	C49	H54	60.2°	90.0°
C55	C50	C49	H55	59.4°	90.0°
C55	C50	C51	H57	59.4°	90.0°
C55	C50	C51	H58	60.3°	90.0°
C50	C55	O10	H64	177.5°	90.0°
O10	C55	C50	H56	116.1°	90.0°
O9	C55	C50	H56	61.5°	90.0°
O9	C55	O10	H64	0.0°	90.0°
H53	C47	S6	C44	177.3°	90.0°
H54	C49	C50	H56	177.5°	90.0°
H54	C49	C54	H62	174.4°	90.0°
H54	C49	C54	H63	55.0°	90.0°
H55	C49	C50	H56	57.9°	90.0°
H55	C49	C54	H62	54.8°	90.0°
H55	C49	C54	H63	64.6°	90.0°
H56	C50	C51	H57	177.4°	90.0°
H56	C50	C51	H58	57.8°	90.0°
H57	C51	C52	H59	54.7°	90.0°
H57	C51	C52	H60	174.2°	90.0°
H58	C51	C52	H59	64.9°	90.0°
H58	C51	C52	H60	54.6°	90.0°
H59	C52	C53	H61	56.9°	90.0°
H60	C52	C53	H61	176.4°	90.0°
H61	C53	C54	H62	176.5°	90.0°
H61	C53	C54	H63	57.1°	90.0°
C41	C1	C2	S1	143.2°	90.0°
C41	C1	C2	N1	38.1°	90.0°
C41	C1	C3	C45	0.6°	90.0°

Release date:	2012-12-12
Last modified:	2012-12-12
Processing site:	RCSB