PRD_001073

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.49Å
C1	C3	sing	0.00Å	1.43Å
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	1.46Å
C4	C5	sing	0.00Å	1.51Å
C4	C6	doub	0.00Å	1.34Å
C5	O1	doub	0.00Å	1.24Å
C6	S1	sing	0.00Å	1.76Å
N1	H4	sing	0.00Å	1.00Å
C6	H5	sing	0.00Å	1.08Å
N2	C7	sing	0.00Å	1.45Å
N2	H6	sing	0.00Å	1.00Å
C7	C8	sing	0.00Å	1.55Å
C7	C9	sing	0.00Å	1.56Å
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	1.24Å
C10	N3	sing	0.00Å	1.35Å
N3	C11	sing	0.00Å	1.46Å
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	1.50Å
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	1.52Å
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	1.57Å
C16	H19	sing	0.00Å	1.10Å
C18	C19	sing	0.00Å	1.54Å
C18	C20	sing	0.00Å	1.54Å
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	1.46Å
C21	C22	sing	0.00Å	1.49Å
C21	C23	doub	0.00Å	1.36Å
C22	O4	doub	0.00Å	1.24Å
C23	S3	sing	0.00Å	1.75Å
C23	C24	sing	0.00Å	1.53Å
C24	O5	sing	0.00Å	1.42Å
O5	C25	sing	0.00Å	1.42Å
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	1.45Å
N7	H33	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.55Å
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	1.46Å
C28	C29	sing	0.00Å	1.54Å
C28	C30	sing	0.00Å	1.55Å
C30	O7	sing	0.00Å	1.40Å
C30	C31	sing	0.00Å	1.54Å
C31	C32	sing	0.00Å	1.44Å	Aromatic
C31	C36	doub	0.00Å	1.42Å	Aromatic
C32	C33	doub	0.00Å	1.43Å	Aromatic
C33	C34	sing	0.00Å	1.42Å	Aromatic
C34	C35	doub	0.00Å	1.43Å	Aromatic
C35	C36	sing	0.00Å	1.44Å	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	1.44Å
C37	C38	sing	0.00Å	1.44Å
C37	C39	doub	0.00Å	1.33Å
C39	S4	sing	0.00Å	1.74Å
N9	H45	sing	0.00Å	1.00Å
C39	H46	sing	0.00Å	1.08Å
N10	C40	sing	0.00Å	1.46Å
C40	C41	sing	0.00Å	1.45Å
C40	C42	doub	0.00Å	1.34Å
C42	S5	sing	0.00Å	1.74Å
N10	H47	sing	0.00Å	1.00Å
C42	H48	sing	0.00Å	1.08Å
N11	C43	doub	0.00Å	1.33Å
C43	C44	sing	0.00Å	1.47Å
C43	C45	sing	0.00Å	1.42Å
C45	H49	sing	0.00Å	1.10Å
C45	H50	sing	0.00Å	1.10Å
N12	H51	sing	0.00Å	1.00Å
O8	C48	doub	0.00Å	1.21Å
C46	N12	sing	0.00Å	1.47Å
C46	N13	sing	0.00Å	1.49Å
C47	C46	doub	0.00Å	1.34Å
C47	S6	sing	0.00Å	1.75Å
O10	C55	doub	0.00Å	1.21Å
O11	C49	sing	0.00Å	1.41Å
C48	O11	sing	0.00Å	1.33Å
C48	N13	sing	0.00Å	1.36Å
C49	C54	sing	0.00Å	1.55Å
C50	C49	sing	0.00Å	1.55Å
C50	C51	sing	0.00Å	1.54Å
C51	C52	sing	0.00Å	1.55Å
C52	C55	sing	0.00Å	1.55Å
C52	C53	sing	0.00Å	1.54Å
C54	C53	sing	0.00Å	1.54Å
C55	O9	sing	0.00Å	1.36Å
O9	H52	sing	0.00Å	0.95Å
C47	H53	sing	0.00Å	1.08Å
N13	H54	sing	0.00Å	1.00Å
C49	H55	sing	0.00Å	1.10Å
C50	H56	sing	0.00Å	1.10Å
C50	H57	sing	0.00Å	1.10Å
C51	H58	sing	0.00Å	1.10Å
C51	H59	sing	0.00Å	1.10Å
C52	H60	sing	0.00Å	1.10Å
C53	H61	sing	0.00Å	1.10Å
C53	H62	sing	0.00Å	1.10Å
C54	H63	sing	0.00Å	1.10Å
C54	H64	sing	0.00Å	1.10Å
C1	C41	sing	0.00Å	1.42Å
C2	N1	sing	0.00Å	1.36Å
C2	S1	sing	0.00Å	1.73Å
C3	C45	sing	0.00Å	1.42Å
C5	N2	sing	0.00Å	1.31Å
C8	N4	sing	0.00Å	1.34Å
C8	S2	sing	0.00Å	1.75Å
C13	N5	sing	0.00Å	1.32Å
C17	N6	sing	0.00Å	1.32Å
C17	S3	sing	0.00Å	1.75Å
C22	N7	sing	0.00Å	1.36Å
C27	N8	sing	0.00Å	1.34Å
C29	N9	sing	0.00Å	1.31Å
C29	S4	sing	0.00Å	1.77Å
C38	S5	sing	0.00Å	1.77Å
C38	N10	sing	0.00Å	1.32Å
C41	N11	sing	0.00Å	1.34Å
C44	S6	sing	0.00Å	1.77Å
C44	N12	sing	0.00Å	1.35Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	119.6°	90.0°
C2	C1	H1	90.0°	90.0°
C2	C1	C41	123.7°	90.0°
C1	C2	N1	126.2°	90.0°
C1	C2	S1	123.9°	90.0°
C3	C1	H1	90.0°	90.0°
C1	C3	H2	106.8°	90.0°
C1	C3	H3	106.8°	90.0°
C3	C1	C41	116.8°	90.0°
C1	C3	C45	119.9°	90.0°
H1	C1	C41	90.0°	90.0°
H2	C3	H3	109.5°	90.0°
H2	C3	C45	106.8°	90.0°
H3	C3	C45	106.8°	90.0°
N1	C4	C5	122.7°	90.0°
N1	C4	C6	111.6°	90.0°
C4	N1	H4	108.2°	90.0°
C4	N1	C2	114.3°	90.0°
C5	C4	C6	125.6°	90.0°
C4	C5	O1	121.8°	90.0°
C4	C5	N2	113.5°	90.0°
C4	C6	S1	111.9°	90.0°
C4	C6	H5	124.0°	90.0°
O1	C5	N2	124.6°	90.0°
S1	C6	H5	124.0°	90.0°
C6	S1	C2	92.2°	90.0°
H4	N1	C2	108.3°	90.0°
C7	N2	H6	116.5°	90.0°
N2	C7	C8	111.4°	90.0°
N2	C7	C9	114.0°	90.0°
N2	C7	H7	107.9°	90.0°
C7	N2	C5	127.0°	90.0°
H6	N2	C5	116.5°	90.0°
C8	C7	C9	109.7°	90.0°
C8	C7	H7	106.8°	90.0°
C7	C8	N4	122.5°	90.0°
C7	C8	S2	127.2°	90.0°
C9	C7	H7	106.7°	90.0°
C7	C9	C10	116.2°	90.0°
C7	C9	H8	107.8°	90.0°
C7	C9	H9	107.8°	90.0°
C10	C9	H8	107.8°	90.0°
C10	C9	H9	107.8°	90.0°
C9	C10	O2	122.7°	90.0°
C9	C10	N3	111.8°	90.0°
H8	C9	H9	109.4°	90.0°
O2	C10	N3	125.5°	90.0°
C10	N3	C11	121.5°	90.0°
C10	N3	H10	119.3°	90.0°
C11	N3	H10	119.2°	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	109.4°	90.0°
N4	C12	C13	118.2°	90.0°
N4	C12	C14	112.2°	90.0°
C12	N4	H14	108.2°	90.0°
C12	N4	C8	114.5°	90.0°
C13	C12	C14	129.6°	90.0°
C12	C13	O3	122.8°	90.0°
C12	C13	N5	114.7°	90.0°
C12	C14	S2	110.5°	90.0°
C12	C14	C15	129.0°	90.0°
O3	C13	N5	122.5°	90.0°
S2	C14	C15	120.4°	90.0°
C14	S2	C8	92.4°	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	108.2°	90.0°
H15	C15	H16	109.4°	90.0°
H15	C15	H17	109.5°	90.0°
H16	C15	H17	109.5°	90.0°
C16	N5	H18	116.6°	90.0°
N5	C16	C17	105.6°	90.0°
N5	C16	C18	111.8°	90.0°
N5	C16	H19	110.3°	90.0°
C16	N5	C13	126.8°	90.0°
H18	N5	C13	116.6°	90.0°
C17	C16	C18	111.1°	90.0°
C17	C16	H19	109.3°	90.0°
C16	C17	N6	124.8°	90.0°
C16	C17	S3	123.8°	90.0°
C18	C16	H19	108.7°	90.0°
C16	C18	C19	111.5°	90.0°
C16	C18	C20	113.5°	90.0°
C16	C18	H20	108.1°	90.0°
C19	C18	C20	106.3°	90.0°
C19	C18	H20	108.6°	90.0°
C18	C19	H21	109.5°	90.0°
C18	C19	H22	109.5°	90.0°
C18	C19	H23	109.5°	90.0°
C20	C18	H20	108.6°	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	109.5°	90.0°
H25	C20	H26	109.4°	90.0°
N6	C21	C22	118.3°	90.0°
N6	C21	C23	112.6°	90.0°
C21	N6	H27	108.4°	90.0°
C21	N6	C17	113.8°	90.0°
C22	C21	C23	129.1°	90.0°
C21	C22	O4	120.6°	90.0°
C21	C22	N7	115.6°	90.0°
C21	C23	S3	110.2°	90.0°
C21	C23	C24	130.7°	90.0°
O4	C22	N7	123.8°	90.0°
S3	C23	C24	119.0°	90.0°
C23	S3	C17	92.0°	90.0°
C23	C24	O5	113.5°	90.0°
C23	C24	H28	108.5°	90.0°
C23	C24	H29	108.5°	90.0°
C24	O5	C25	116.3°	90.0°
O5	C24	H28	108.4°	90.0°
O5	C24	H29	108.4°	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	108.4°	90.0°
H28	C24	H29	109.5°	90.0°
H30	C25	H31	109.4°	90.0°
H30	C25	H32	109.5°	90.0°
H31	C25	H32	109.5°	90.0°
C26	N7	H33	120.0°	90.0°
N7	C26	C27	109.1°	90.0°
N7	C26	H34	109.5°	90.0°
N7	C26	H35	109.5°	90.0°
C26	N7	C22	119.9°	90.0°
H33	N7	C22	120.1°	90.0°
C27	C26	H34	109.5°	90.0°
C27	C26	H35	109.6°	90.0°
C26	C27	O6	121.8°	90.0°
C26	C27	N8	113.7°	90.0°
H34	C26	H35	109.5°	90.0°
O6	C27	N8	124.4°	90.0°
N8	C28	C29	113.2°	90.0°
N8	C28	C30	108.5°	90.0°
C28	N8	H36	117.5°	90.0°
N8	C28	H37	110.5°	90.0°
C28	N8	C27	125.1°	90.0°
C29	C28	C30	105.7°	90.0°
C29	C28	H37	109.4°	90.0°
C28	C29	N9	122.9°	90.0°
C28	C29	S4	125.8°	90.0°
C28	C30	O7	111.6°	90.0°
C28	C30	C31	109.9°	90.0°
C30	C28	H37	109.3°	90.0°
C28	C30	H38	108.2°	90.0°
O7	C30	C31	108.4°	90.0°
O7	C30	H38	110.2°	90.0°
C30	O7	H39	109.5°	90.0°
C30	C31	C32	119.9°	90.0°
C30	C31	C36	122.0°	90.0°
C31	C30	H38	108.4°	90.0°
C32	C31	C36	118.1°	90.0°
C31	C32	C33	121.7°	90.0°
C31	C32	H40	119.2°	90.0°
C31	C36	C35	120.6°	90.0°
C31	C36	H41	119.7°	90.0°
C32	C33	C34	119.7°	90.0°
C33	C32	H40	119.2°	90.0°
C32	C33	H42	120.2°	90.0°
C33	C34	C35	119.6°	90.0°
C34	C33	H42	120.2°	90.0°
C33	C34	H43	120.2°	90.0°
C34	C35	C36	120.3°	90.0°
C35	C34	H43	120.2°	90.0°
C34	C35	H44	119.8°	90.0°
C35	C36	H41	119.7°	90.0°
C36	C35	H44	119.9°	90.0°
H36	N8	C27	117.4°	90.0°
N9	C37	C38	119.4°	90.0°
N9	C37	C39	114.4°	90.0°
C37	N9	H45	108.6°	90.0°
C37	N9	C29	113.0°	90.0°
C38	C37	C39	126.3°	90.0°
C37	C38	S5	123.0°	90.0°
C37	C38	N10	125.9°	90.0°
C37	C39	S4	110.8°	90.0°
C37	C39	H46	124.6°	90.0°
S4	C39	H46	124.6°	90.0°
C39	S4	C29	90.6°	90.0°
H45	N9	C29	108.6°	90.0°
N10	C40	C41	124.2°	90.0°
N10	C40	C42	112.5°	90.0°
C40	N10	H47	108.4°	90.0°
C40	N10	C38	113.7°	90.0°
C41	C40	C42	123.3°	90.0°
C40	C41	C1	122.6°	90.0°
C40	C41	N11	114.9°	90.0°
C40	C42	S5	111.7°	90.0°
C40	C42	H48	124.2°	90.0°
S5	C42	H48	124.1°	90.0°
C42	S5	C38	91.1°	90.0°
H47	N10	C38	108.4°	90.0°
N11	C43	C44	115.7°	90.0°
N11	C43	C45	121.4°	90.0°
C43	N11	C41	121.4°	90.0°
C44	C43	C45	122.9°	90.0°
C43	C44	S6	125.7°	90.0°
C43	C44	N12	124.7°	90.0°
C43	C45	H49	107.3°	90.0°
C43	C45	H50	107.3°	90.0°
C43	C45	C3	118.0°	90.0°
H49	C45	H50	109.5°	90.0°
H49	C45	C3	107.3°	90.0°
H50	C45	C3	107.3°	90.0°
H51	N12	C46	108.1°	90.0°
H51	N12	C44	108.2°	90.0°
O8	C48	O11	123.3°	90.0°
O8	C48	N13	126.1°	90.0°
N12	C46	N13	119.7°	90.0°
N12	C46	C47	111.6°	90.0°
C46	N12	C44	114.8°	90.0°
N13	C46	C47	128.6°	90.0°
C46	N13	C48	127.2°	90.0°
C46	N13	H54	116.4°	90.0°
C46	C47	S6	112.4°	90.0°
C46	C47	H53	123.8°	90.0°
S6	C47	H53	123.8°	90.0°
C47	S6	C44	91.7°	90.0°
O10	C55	C52	124.1°	90.0°
O10	C55	O9	124.1°	90.0°
C49	O11	C48	126.0°	90.0°
O11	C49	C54	104.6°	90.0°
O11	C49	C50	106.3°	90.0°
O11	C49	H55	112.0°	90.0°
O11	C48	N13	110.5°	90.0°
C48	N13	H54	116.4°	90.0°
C54	C49	C50	114.2°	90.0°
C49	C54	C53	114.7°	90.0°
C54	C49	H55	109.8°	90.0°
C49	C54	H63	108.2°	90.0°
C49	C54	H64	108.2°	90.0°
C49	C50	C51	114.1°	90.0°
C50	C49	H55	109.9°	90.0°
C49	C50	H56	108.3°	90.0°
C49	C50	H57	108.3°	90.0°
C50	C51	C52	111.6°	90.0°
C51	C50	H56	108.3°	90.0°
C51	C50	H57	108.3°	90.0°
C50	C51	H58	108.9°	90.0°
C50	C51	H59	108.9°	90.0°
C51	C52	C55	109.8°	90.0°
C51	C52	C53	109.9°	90.0°
C52	C51	H58	109.0°	90.0°
C52	C51	H59	108.9°	90.0°
C51	C52	H60	109.0°	90.0°
C55	C52	C53	109.9°	90.0°
C52	C55	O9	111.8°	90.0°
C55	C52	H60	109.1°	90.0°
C52	C53	C54	111.4°	90.0°
C53	C52	H60	109.1°	90.0°
C52	C53	H61	109.0°	90.0°
C52	C53	H62	109.0°	90.0°
C54	C53	H61	109.0°	90.0°
C54	C53	H62	109.0°	90.0°
C53	C54	H63	108.1°	90.0°
C53	C54	H64	108.1°	90.0°
C55	O9	H52	109.5°	90.0°
H56	C50	H57	109.5°	90.0°
H58	C51	H59	109.4°	90.0°
H61	C53	H62	109.5°	90.0°
H63	C54	H64	109.5°	90.0°
C1	C41	N11	122.6°	90.0°
N1	C2	S1	109.9°	90.0°
N4	C8	S2	110.3°	90.0°
N6	C17	S3	111.4°	90.0°
N9	C29	S4	111.3°	90.0°
S5	C38	N10	111.1°	90.0°
S6	C44	N12	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	90.0°	90.0°
C2	C1	C3	C41	180.0°	90.0°
C2	C1	H1	C41	123.7°	90.0°
C2	C1	C3	H2	59.1°	90.0°
C2	C1	C3	H3	58.0°	90.0°
C1	C2	N1	C4	179.1°	90.0°
C1	C2	S1	C6	179.2°	90.0°
C1	C2	N1	H4	60.2°	90.0°
C2	C1	C41	C40	0.6°	90.0°
C1	C2	N1	S1	179.1°	90.0°
C2	C1	C3	C45	179.4°	90.0°
C2	C1	C41	N11	179.5°	90.0°
C3	C1	H1	C41	116.8°	90.0°
C1	C3	H2	H3	115.3°	90.0°
C1	C3	H2	C45	129.5°	90.0°
C1	C3	H3	C45	129.5°	90.0°
C3	C1	C41	C40	179.4°	90.0°
C1	C3	C45	C43	0.2°	90.0°
C1	C3	C45	H49	121.0°	90.0°
C1	C3	C45	H50	121.4°	90.0°
C3	C1	C2	N1	137.2°	90.0°
C3	C1	C2	S1	43.8°	90.0°
C3	C1	C41	N11	0.5°	90.0°
H1	C1	C3	H2	149.1°	90.0°
H1	C1	C3	H3	32.0°	90.0°
H1	C1	C41	C40	90.6°	90.0°
H1	C1	C2	N1	47.2°	90.0°
H1	C1	C2	S1	133.8°	90.0°
H1	C1	C3	C45	89.4°	90.0°
H1	C1	C41	N11	89.5°	90.0°
H2	C3	H3	C45	115.3°	90.0°
H2	C3	C45	C43	121.3°	90.0°
H2	C3	C45	H49	117.5°	90.0°
H2	C3	C45	H50	0.1°	90.0°
H2	C3	C1	C41	120.9°	90.0°
H3	C3	C45	C43	121.6°	90.0°
H3	C3	C45	H49	0.4°	90.0°
H3	C3	C45	H50	117.1°	90.0°
H3	C3	C1	C41	122.1°	90.0°
N1	C4	C5	C6	179.1°	90.0°
N1	C4	C5	O1	163.5°	90.0°
N1	C4	C6	S1	0.2°	90.0°
C4	N1	H4	C2	124.4°	90.0°
N1	C4	C6	H5	179.8°	90.0°
C4	N1	C2	S1	0.1°	90.0°
N1	C4	C5	N2	17.7°	90.0°
C4	C5	O1	N2	178.7°	90.0°
C5	C4	C6	S1	179.0°	90.0°
C5	C4	N1	H4	60.1°	90.0°
C5	C4	C6	H5	1.0°	90.0°
C4	C5	N2	C7	173.6°	90.0°
C4	C5	N2	H6	6.4°	90.0°
C5	C4	N1	C2	179.2°	90.0°
C6	C4	C5	O1	17.4°	90.0°
C4	C6	S1	H5	180.0°	90.0°
C6	C4	N1	H4	120.6°	90.0°
C6	C4	N1	C2	0.1°	90.0°
C4	C6	S1	C2	0.2°	90.0°
C6	C4	C5	N2	161.5°	90.0°
O1	C5	N2	C7	5.2°	90.0°
O1	C5	N2	H6	174.8°	90.0°
C6	S1	C2	N1	0.1°	90.0°
H4	N1	C2	S1	120.8°	90.0°
H5	C6	S1	C2	179.8°	90.0°
C7	N2	H6	C5	180.0°	90.0°
N2	C7	C8	C9	127.2°	90.0°
N2	C7	C8	H7	117.6°	90.0°
N2	C7	C9	H7	119.0°	90.0°
N2	C7	C9	C10	63.2°	90.0°
N2	C7	C9	H8	175.8°	90.0°
N2	C7	C9	H9	57.8°	90.0°
N2	C7	C8	N4	175.5°	90.0°
N2	C7	C8	S2	3.0°	90.0°
H6	N2	C7	C8	88.7°	90.0°
H6	N2	C7	C9	36.1°	90.0°
H6	N2	C7	H7	154.4°	90.0°
C8	C7	C9	H7	115.3°	90.0°
C8	C7	C9	C10	62.5°	90.0°
C8	C7	C9	H8	58.5°	90.0°
C8	C7	C9	H9	176.5°	90.0°
C7	C8	N4	C12	178.0°	90.0°
C7	C8	S2	C14	178.2°	90.0°
C7	C8	N4	H14	57.3°	90.0°
C8	C7	N2	C5	91.3°	90.0°
C7	C8	N4	S2	178.7°	90.0°
C7	C9	C10	H8	121.0°	90.0°
C7	C9	C10	H9	121.0°	90.0°
C7	C9	H8	H9	116.9°	90.0°
C7	C9	C10	O2	1.2°	90.0°
C7	C9	C10	N3	178.0°	90.0°
C9	C7	N2	C5	143.9°	90.0°
C9	C7	C8	N4	48.3°	90.0°
C9	C7	C8	S2	130.2°	90.0°
H7	C7	C9	C10	177.8°	90.0°
H7	C7	C9	H8	56.8°	90.0°
H7	C7	C9	H9	61.2°	90.0°
H7	C7	N2	C5	25.6°	90.0°
H7	C7	C8	N4	67.0°	90.0°
H7	C7	C8	S2	114.5°	90.0°
C10	C9	H8	H9	116.9°	90.0°
C9	C10	O2	N3	179.1°	90.0°
C9	C10	N3	C11	178.9°	90.0°
C9	C10	N3	H10	1.1°	90.0°
H8	C9	C10	O2	122.2°	90.0°
H8	C9	C10	N3	57.0°	90.0°
H9	C9	C10	O2	119.8°	90.0°
H9	C9	C10	N3	61.0°	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	178.9°	90.0°
N4	C12	C13	O3	177.9°	90.0°
N4	C12	C14	S2	0.2°	90.0°
N4	C12	C14	C15	179.8°	90.0°
C12	N4	H14	C8	124.6°	90.0°
C12	N4	C8	S2	0.7°	90.0°
N4	C12	C13	N5	2.0°	90.0°
C12	C13	O3	N5	179.9°	90.0°
C13	C12	C14	S2	178.7°	90.0°
C13	C12	C14	C15	0.9°	90.0°
C13	C12	N4	H14	57.8°	90.0°
C12	C13	N5	C16	175.4°	90.0°
C12	C13	N5	H18	4.7°	90.0°
C13	C12	N4	C8	178.5°	90.0°
C14	C12	C13	O3	1.0°	90.0°
C12	C14	S2	C15	179.6°	90.0°
C14	C12	N4	H14	121.3°	90.0°
C12	C14	C15	H15	179.6°	90.0°
C12	C14	C15	H16	60.4°	90.0°
C12	C14	C15	H17	59.6°	90.0°
C14	C12	N4	C8	0.6°	90.0°
C12	C14	S2	C8	0.1°	90.0°
C14	C12	C13	N5	179.1°	90.0°
O3	C13	N5	C16	4.5°	90.0°
O3	C13	N5	H18	175.4°	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	0.5°	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	179.5°	90.0°
H14	N4	C8	S2	121.4°	90.0°
H15	C15	H16	H17	120.0°	90.0°
C16	N5	H18	C13	180.0°	90.0°
N5	C16	C17	C18	121.4°	90.0°
N5	C16	C17	H19	118.6°	90.0°
N5	C16	C18	H19	122.0°	90.0°
N5	C16	C18	C19	179.2°	90.0°
N5	C16	C18	C20	60.7°	90.0°
N5	C16	C18	H20	59.8°	90.0°
N5	C16	C17	N6	37.0°	90.0°
N5	C16	C17	S3	143.8°	90.0°
H18	N5	C16	C17	34.1°	90.0°
H18	N5	C16	C18	86.9°	90.0°
H18	N5	C16	H19	152.1°	90.0°
C17	C16	C18	H19	120.4°	90.0°
C17	C16	C18	C19	61.5°	90.0°
C17	C16	C18	C20	178.4°	90.0°
C17	C16	C18	H20	57.9°	90.0°
C16	C17	N6	C21	179.1°	90.0°
C16	C17	S3	C23	178.8°	90.0°
C16	C17	N6	H27	60.2°	90.0°
C17	C16	N5	C13	145.9°	90.0°
C16	C17	N6	S3	179.3°	90.0°
C16	C18	C19	C20	124.2°	90.0°
C16	C18	C19	H20	119.0°	90.0°
C16	C18	C20	H20	120.3°	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	93.1°	90.0°
C18	C16	C17	N6	84.4°	90.0°
C18	C16	C17	S3	94.8°	90.0°
H19	C16	C18	C19	58.9°	90.0°
H19	C16	C18	C20	61.2°	90.0°
H19	C16	C18	H20	178.2°	90.0°
H19	C16	N5	C13	27.9°	90.0°
H19	C16	C17	N6	155.6°	90.0°
H19	C16	C17	S3	25.2°	90.0°
C19	C18	C20	H20	116.7°	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	57.0°	90.0°
C19	C18	C20	H25	63.0°	90.0°
C19	C18	C20	H26	177.0°	90.0°
C20	C18	C19	H21	55.8°	90.0°
C20	C18	C19	H22	175.8°	90.0°
C20	C18	C19	H23	64.2°	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	60.9°	90.0°
H20	C18	C19	H22	59.1°	90.0°
H20	C18	C19	H23	179.1°	90.0°
H20	C18	C20	H24	59.7°	90.0°
H20	C18	C20	H25	179.8°	90.0°
H20	C18	C20	H26	60.3°	90.0°
H21	C19	H22	H23	120.0°	90.0°
H24	C20	H25	H26	120.0°	90.0°
N6	C21	C22	C23	179.2°	90.0°
N6	C21	C22	O4	179.9°	90.0°
N6	C21	C23	S3	0.7°	90.0°
N6	C21	C23	C24	179.7°	90.0°
C21	N6	H27	C17	124.0°	90.0°
C21	N6	C17	S3	0.2°	90.0°
N6	C21	C22	N7	1.3°	90.0°
C21	C22	O4	N7	178.7°	90.0°
C22	C21	C23	S3	179.9°	90.0°
C22	C21	C23	C24	0.4°	90.0°
C22	C21	N6	H27	59.7°	90.0°
C21	C22	N7	C26	178.1°	90.0°
C21	C22	N7	H33	1.9°	90.0°
C22	C21	N6	C17	179.7°	90.0°
C23	C21	C22	O4	0.7°	90.0°
C21	C23	S3	C24	179.7°	90.0°
C21	C23	C24	O5	56.4°	90.0°
C23	C21	N6	H27	121.0°	90.0°
C21	C23	C24	H28	177.0°	90.0°
C21	C23	C24	H29	64.2°	90.0°
C23	C21	N6	C17	0.3°	90.0°
C21	C23	S3	C17	0.7°	90.0°
C23	C21	C22	N7	179.5°	90.0°
O4	C22	N7	C26	0.7°	90.0°
O4	C22	N7	H33	179.3°	90.0°
S3	C23	C24	O5	123.3°	90.0°
S3	C23	C24	H28	2.7°	90.0°
S3	C23	C24	H29	116.2°	90.0°
C23	S3	C17	N6	0.5°	90.0°
C23	C24	O5	H28	120.6°	90.0°
C23	C24	O5	H29	120.6°	90.0°
C23	C24	O5	C25	135.4°	90.0°
C23	C24	H28	H29	118.2°	90.0°
C24	C23	S3	C17	179.6°	90.0°
O5	C24	H28	H29	118.1°	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	14.8°	90.0°
C25	O5	C24	H29	104.0°	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	120.5°	90.0°
H30	C25	H31	H32	120.0°	90.0°
C26	N7	H33	C22	180.0°	90.0°
N7	C26	C27	H34	119.9°	90.0°
N7	C26	C27	H35	120.0°	90.0°
N7	C26	H34	H35	120.1°	90.0°
N7	C26	C27	O6	0.2°	90.0°
N7	C26	C27	N8	178.9°	90.0°
H33	N7	C26	C27	91.7°	90.0°
H33	N7	C26	H34	148.4°	90.0°
H33	N7	C26	H35	28.3°	90.0°
C27	C26	H34	H35	120.2°	90.0°
C26	C27	O6	N8	179.0°	90.0°
C26	C27	N8	C28	177.7°	90.0°
C26	C27	N8	H36	2.3°	90.0°
C27	C26	N7	C22	88.3°	90.0°
H34	C26	C27	O6	120.2°	90.0°
H34	C26	N7	C22	31.6°	90.0°
H34	C26	C27	N8	58.9°	90.0°
H35	C26	C27	O6	119.7°	90.0°
H35	C26	N7	C22	151.7°	90.0°
H35	C26	C27	N8	61.2°	90.0°
O6	C27	N8	C28	3.2°	90.0°
O6	C27	N8	H36	176.8°	90.0°
N8	C28	C29	C30	118.7°	90.0°
N8	C28	C29	H37	123.7°	90.0°
N8	C28	C30	H37	120.6°	90.0°
N8	C28	C30	O7	177.5°	90.0°
N8	C28	C30	C31	62.1°	90.0°
C28	N8	H36	C27	180.0°	90.0°
N8	C28	C30	H38	56.1°	90.0°
N8	C28	C29	N9	118.5°	90.0°
N8	C28	C29	S4	63.8°	90.0°
C29	C28	C30	H37	117.7°	90.0°
C29	C28	C30	O7	55.8°	90.0°
C29	C28	C30	C31	176.2°	90.0°
C29	C28	N8	H36	108.8°	90.0°
C29	C28	C30	H38	65.6°	90.0°
C28	C29	N9	C37	177.5°	90.0°
C28	C29	S4	C39	177.4°	90.0°
C28	C29	N9	H45	57.0°	90.0°
C29	C28	N8	C27	71.2°	90.0°
C28	C29	N9	S4	178.0°	90.0°
C28	C30	O7	C31	121.2°	90.0°
C28	C30	O7	H38	120.3°	90.0°
C28	C30	C31	H38	118.1°	90.0°
C28	C30	C31	C32	47.1°	90.0°
C28	C30	C31	C36	132.7°	90.0°
C30	C28	N8	H36	8.3°	90.0°
C28	C30	O7	H39	180.0°	90.0°
C30	C28	N8	C27	171.7°	90.0°
C30	C28	C29	N9	122.8°	90.0°
C30	C28	C29	S4	54.9°	90.0°
O7	C30	C31	H38	119.6°	90.0°
O7	C30	C31	C32	75.2°	90.0°
O7	C30	C31	C36	105.0°	90.0°
O7	C30	C28	H37	61.9°	90.0°
C30	C31	C32	C36	179.8°	90.0°
C30	C31	C32	C33	179.3°	90.0°
C30	C31	C36	C35	179.6°	90.0°
C31	C30	C28	H37	58.5°	90.0°
C31	C30	O7	H39	58.8°	90.0°
C30	C31	C32	H40	0.7°	90.0°
C30	C31	C36	H41	0.4°	90.0°
C31	C32	C33	H40	180.0°	90.0°
C31	C32	C33	C34	0.3°	90.0°
C32	C31	C36	C35	0.2°	90.0°
C32	C31	C30	H38	165.2°	90.0°
C32	C31	C36	H41	179.8°	90.0°
C31	C32	C33	H42	179.7°	90.0°
C36	C31	C32	C33	0.5°	90.0°
C31	C36	C35	C34	0.2°	90.0°
C31	C36	C35	H41	180.0°	90.0°
C36	C31	C30	H38	14.6°	90.0°
C36	C31	C32	H40	179.5°	90.0°
C31	C36	C35	H44	179.8°	90.0°
C32	C33	C34	H42	180.0°	90.0°
C32	C33	C34	C35	0.1°	90.0°
C32	C33	C34	H43	179.9°	90.0°
C33	C34	C35	H43	180.0°	90.0°
C33	C34	C35	C36	0.4°	90.0°
C34	C33	C32	H40	179.7°	90.0°
C33	C34	C35	H44	179.6°	90.0°
C34	C35	C36	H44	180.0°	90.0°
C34	C35	C36	H41	179.8°	90.0°
C35	C34	C33	H42	179.9°	90.0°
C36	C35	C34	H43	179.6°	90.0°
H36	N8	C28	H37	128.1°	90.0°
H37	C28	C30	H38	176.7°	90.0°
H37	C28	N8	C27	51.9°	90.0°
H37	C28	C29	N9	5.2°	90.0°
H37	C28	C29	S4	172.6°	90.0°
H38	C30	O7	H39	59.7°	90.0°
H40	C32	C33	H42	0.3°	90.0°
H41	C36	C35	H44	0.2°	90.0°
H42	C33	C34	H43	0.2°	90.0°
H43	C34	C35	H44	0.4°	90.0°
N9	C37	C38	C39	179.7°	90.0°
N9	C37	C39	S4	0.2°	90.0°
C37	N9	H45	C29	123.2°	90.0°
N9	C37	C39	H46	179.7°	90.0°
C37	N9	C29	S4	0.5°	90.0°
N9	C37	C38	S5	2.1°	90.0°
N9	C37	C38	N10	176.1°	90.0°
C38	C37	C39	S4	179.9°	90.0°
C38	C37	N9	H45	59.0°	90.0°
C38	C37	C39	H46	0.1°	90.0°
C37	C38	N10	C40	178.8°	90.0°
C37	C38	S5	C42	178.8°	90.0°
C37	C38	N10	H47	60.6°	90.0°
C38	C37	N9	C29	179.5°	90.0°
C37	C38	S5	N10	178.4°	90.0°
C37	C39	S4	H46	180.0°	90.0°
C39	C37	N9	H45	120.7°	90.0°
C39	C37	N9	C29	0.2°	90.0°
C37	C39	S4	C29	0.4°	90.0°
C39	C37	C38	S5	178.2°	90.0°
C39	C37	C38	N10	3.6°	90.0°
C39	S4	C29	N9	0.5°	90.0°
H45	N9	C29	S4	121.0°	90.0°
H46	C39	S4	C29	179.6°	90.0°
N10	C40	C41	C42	179.6°	90.0°
N10	C40	C42	S5	0.0°	90.0°
C40	N10	H47	C38	123.8°	90.0°
N10	C40	C42	H48	180.0°	90.0°
N10	C40	C41	C1	31.0°	90.0°
C40	N10	C38	S5	0.5°	90.0°
N10	C40	C41	N11	148.9°	90.0°
C41	C40	C42	S5	179.6°	90.0°
C41	C40	N10	H47	59.4°	90.0°
C41	C40	C42	H48	0.3°	90.0°
C40	C41	N11	C43	179.9°	90.0°
C40	C41	C1	N11	179.9°	90.0°
C41	C40	N10	C38	180.0°	90.0°
C40	C42	S5	H48	180.0°	90.0°
C42	C40	N10	H47	120.9°	90.0°
C42	C40	C41	C1	149.4°	90.0°
C40	C42	S5	C38	0.2°	90.0°
C42	C40	N10	C38	0.3°	90.0°
C42	C40	C41	N11	30.6°	90.0°
C42	S5	C38	N10	0.4°	90.0°
H47	N10	C38	S5	121.1°	90.0°
H48	C42	S5	C38	179.8°	90.0°
N11	C43	C44	C45	178.5°	90.0°
N11	C43	C45	H49	121.6°	90.0°
N11	C43	C45	H50	120.8°	90.0°
C43	N11	C41	C1	0.0°	90.0°
N11	C43	C45	C3	0.4°	90.0°
N11	C43	C44	S6	9.2°	90.0°
N11	C43	C44	N12	167.8°	90.0°
C44	C43	C45	H49	56.8°	90.0°
C44	C43	C45	H50	60.7°	90.0°
C43	C44	N12	H51	56.6°	90.0°
C43	C44	N12	C46	177.4°	90.0°
C43	C44	S6	C47	177.3°	90.0°
C44	C43	C45	C3	178.1°	90.0°
C44	C43	N11	C41	178.1°	90.0°
C43	C44	S6	N12	177.4°	90.0°
C43	C45	H49	H50	116.2°	90.0°
C43	C45	H49	C3	127.7°	90.0°
C43	C45	H50	C3	127.7°	90.0°
C45	C43	N11	C41	0.5°	90.0°
C45	C43	C44	S6	172.3°	90.0°
C45	C43	C44	N12	10.7°	90.0°
H49	C45	H50	C3	116.2°	90.0°
H51	N12	C46	C44	120.8°	90.0°
H51	N12	C46	N13	59.6°	90.0°
H51	N12	C46	C47	120.8°	90.0°
H51	N12	C44	S6	120.9°	90.0°
O8	C48	N13	C46	0.1°	90.0°
O8	C48	O11	C49	1.4°	90.0°
O8	C48	O11	N13	179.8°	90.0°
O8	C48	N13	H54	179.9°	90.0°
N12	C46	N13	C47	179.4°	90.0°
N12	C46	C47	S6	0.0°	90.0°
N12	C46	N13	C48	150.0°	90.0°
N12	C46	C47	H53	180.0°	90.0°
N12	C46	N13	H54	30.0°	90.0°
C46	N12	C44	S6	0.1°	90.0°
N13	C46	C47	S6	179.4°	90.0°
C46	N13	C48	O11	179.6°	90.0°
C46	N13	C48	H54	180.0°	90.0°
N13	C46	C47	H53	0.5°	90.0°
N13	C46	N12	C44	179.6°	90.0°
C46	C47	S6	H53	180.0°	90.0°
C47	C46	N13	C48	30.6°	90.0°
C47	C46	N13	H54	149.4°	90.0°
C46	C47	S6	C44	0.1°	90.0°
C47	C46	N12	C44	0.0°	90.0°
C47	S6	C44	N12	0.1°	90.0°
O10	C55	C52	C51	50.8°	90.0°
O10	C55	C52	O9	179.8°	90.0°
O10	C55	C52	C53	70.2°	90.0°
O10	C55	O9	H52	0.0°	90.0°
O10	C55	C52	H60	170.2°	90.0°
C49	O11	C48	N13	178.8°	90.0°
O11	C49	C54	C50	115.7°	90.0°
O11	C49	C54	H55	120.3°	90.0°
O11	C49	C50	H55	121.3°	90.0°
O11	C49	C50	C51	156.3°	90.0°
O11	C49	C54	C53	157.0°	90.0°
O11	C49	C50	H56	83.0°	90.0°
O11	C49	C50	H57	35.7°	90.0°
O11	C49	C54	H63	36.2°	90.0°
O11	C49	C54	H64	82.3°	90.0°
C48	O11	C49	C54	143.4°	90.0°
C48	O11	C49	C50	95.4°	90.0°
O11	C48	N13	H54	0.4°	90.0°
C48	O11	C49	H55	24.6°	90.0°
C54	C49	C50	H55	123.9°	90.0°
C54	C49	C50	C51	41.6°	90.0°
C49	C54	C53	C52	50.0°	90.0°
C49	C54	C53	H63	120.8°	90.0°
C49	C54	C53	H64	120.8°	90.0°
C54	C49	C50	H56	162.3°	90.0°
C54	C49	C50	H57	79.1°	90.0°
C49	C54	C53	H61	70.2°	90.0°
C49	C54	C53	H62	170.3°	90.0°
C49	C54	H63	H64	117.6°	90.0°
C49	C50	C51	H56	120.7°	90.0°
C49	C50	C51	H57	120.7°	90.0°
C49	C50	C51	C52	51.0°	90.0°
C50	C49	C54	C53	41.2°	90.0°
C49	C50	H56	H57	117.9°	90.0°
C49	C50	C51	H58	69.4°	90.0°
C49	C50	C51	H59	171.3°	90.0°
C50	C49	C54	H63	79.6°	90.0°
C50	C49	C54	H64	162.0°	90.0°
C50	C51	C52	H58	120.3°	90.0°
C50	C51	C52	H59	120.3°	90.0°
C50	C51	C52	C55	179.7°	90.0°
C50	C51	C52	C53	59.3°	90.0°
C51	C50	C49	H55	82.3°	90.0°
C51	C50	H56	H57	117.9°	90.0°
C50	C51	H58	H59	119.0°	90.0°
C50	C51	C52	H60	60.2°	90.0°
C51	C52	C55	C53	121.0°	90.0°
C51	C52	C55	H60	119.4°	90.0°
C51	C52	C53	H60	119.5°	90.0°
C51	C52	C53	C54	58.5°	90.0°
C51	C52	C55	O9	129.4°	90.0°
C52	C51	C50	H56	171.7°	90.0°
C52	C51	C50	H57	69.7°	90.0°
C52	C51	H58	H59	119.0°	90.0°
C51	C52	C53	H61	61.8°	90.0°
C51	C52	C53	H62	178.8°	90.0°
C55	C52	C53	H60	119.6°	90.0°
C55	C52	C53	C54	179.5°	90.0°
C52	C55	O9	H52	179.8°	90.0°
C55	C52	C51	H58	60.0°	90.0°
C55	C52	C51	H59	59.3°	90.0°
C55	C52	C53	H61	59.2°	90.0°
C55	C52	C53	H62	60.2°	90.0°
C52	C53	C54	H61	120.3°	90.0°
C52	C53	C54	H62	120.3°	90.0°
C53	C52	C55	O9	109.5°	90.0°
C53	C52	C51	H58	61.0°	90.0°
C53	C52	C51	H59	179.7°	90.0°
C52	C53	H61	H62	119.1°	90.0°
C52	C53	C54	H63	70.7°	90.0°
C52	C53	C54	H64	170.8°	90.0°
C53	C54	C49	H55	82.7°	90.0°
C54	C53	C52	H60	61.0°	90.0°
C54	C53	H61	H62	119.2°	90.0°
C53	C54	H63	H64	117.6°	90.0°
O9	C55	C52	H60	10.0°	90.0°
H53	C47	S6	C44	179.9°	90.0°
H55	C49	C50	H56	38.4°	90.0°
H55	C49	C50	H57	157.0°	90.0°
H55	C49	C54	H63	156.5°	90.0°
H55	C49	C54	H64	38.1°	90.0°
H56	C50	C51	H58	51.3°	90.0°
H56	C50	C51	H59	68.0°	90.0°
H57	C50	C51	H58	169.9°	90.0°
H57	C50	C51	H59	50.6°	90.0°
H58	C51	C52	H60	179.4°	90.0°
H59	C51	C52	H60	60.1°	90.0°
H60	C52	C53	H61	178.7°	90.0°
H60	C52	C53	H62	59.3°	90.0°
H61	C53	C54	H63	169.0°	90.0°
H61	C53	C54	H64	50.6°	90.0°
H62	C53	C54	H63	49.5°	90.0°
H62	C53	C54	H64	68.9°	90.0°
C41	C1	C2	N1	42.8°	90.0°
C41	C1	C2	S1	136.1°	90.0°
C41	C1	C3	C45	0.6°	90.0°

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