PRD_001072

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.48Å
C1	C3	sing	0.00Å	1.44Å
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	1.42Å
C4	C5	sing	0.00Å	1.45Å
C4	C6	doub	0.00Å	1.37Å
C5	O1	doub	0.00Å	1.24Å
C6	S1	sing	0.00Å	1.71Å
N1	H4	sing	0.00Å	1.00Å
C6	H5	sing	0.00Å	1.08Å
N2	C7	sing	0.00Å	1.46Å
N2	H6	sing	0.00Å	1.00Å
C7	C8	sing	0.00Å	1.52Å
C7	C9	sing	0.00Å	1.54Å
C7	H7	sing	0.00Å	1.10Å
C9	C10	sing	0.00Å	1.55Å
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	1.34Å
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	1.41Å
C12	C13	sing	0.00Å	1.54Å
C12	C14	doub	0.00Å	1.39Å
C13	O3	doub	0.00Å	1.23Å
C14	S2	sing	0.00Å	1.78Å
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	1.44Å
N5	H18	sing	0.00Å	1.00Å
C16	C17	sing	0.00Å	1.51Å
C16	C18	sing	0.00Å	1.60Å
C16	H19	sing	0.00Å	1.10Å
C18	C19	sing	0.00Å	1.55Å
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	1.39Å
C21	C22	sing	0.00Å	1.48Å
C21	C23	doub	0.00Å	1.38Å
C22	O4	doub	0.00Å	1.24Å
C23	S3	sing	0.00Å	1.76Å
C23	C24	sing	0.00Å	1.48Å
C24	O5	sing	0.00Å	1.41Å
O5	C25	sing	0.00Å	1.47Å
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	1.51Å
C26	H34	sing	0.00Å	1.10Å
C26	H35	sing	0.00Å	1.10Å
C27	O6	doub	0.00Å	1.24Å
N8	C28	sing	0.00Å	1.43Å
C28	C29	sing	0.00Å	1.52Å
C28	C30	sing	0.00Å	1.56Å
C30	O7	sing	0.00Å	1.42Å
C30	C31	sing	0.00Å	1.50Å
C31	C32	sing	0.00Å	1.44Å	Aromatic
C31	C36	doub	0.00Å	1.45Å	Aromatic
C32	C33	doub	0.00Å	1.42Å	Aromatic
C33	C34	sing	0.00Å	1.43Å	Aromatic
C34	C35	doub	0.00Å	1.43Å	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	1.39Å
C37	C38	sing	0.00Å	1.41Å
C37	C39	doub	0.00Å	1.36Å
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	1.38Å
C40	C41	sing	0.00Å	1.49Å
C40	C42	doub	0.00Å	1.38Å
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	1.35Å
C43	C44	sing	0.00Å	1.46Å
C43	C45	sing	0.00Å	1.45Å
C45	H49	sing	0.00Å	1.10Å
C45	H50	sing	0.00Å	1.10Å
N12	C46	sing	0.00Å	1.38Å
N12	H51	sing	0.00Å	1.00Å
O9	C54	sing	0.00Å	1.44Å
C46	N13	sing	0.00Å	1.43Å
C47	C46	doub	0.00Å	1.37Å
S6	C47	sing	0.00Å	1.74Å
N13	C49	sing	0.00Å	1.53Å
N13	C48	sing	0.00Å	1.46Å
O13	C60	doub	0.00Å	1.34Å
C48	O8	doub	0.00Å	1.24Å
C48	O9	sing	0.00Å	1.40Å
C50	C49	sing	0.00Å	1.52Å
C50	C51	sing	0.00Å	1.52Å
C52	C57	sing	0.00Å	1.60Å
C53	C52	sing	0.00Å	1.54Å
C53	C54	sing	0.00Å	1.56Å
C54	C55	sing	0.00Å	1.55Å
C55	C56	sing	0.00Å	1.55Å
C56	C57	sing	0.00Å	1.58Å
C57	C58	sing	0.00Å	1.53Å
C58	O10	doub	0.00Å	1.22Å
C58	O11	sing	0.00Å	1.35Å
C59	C51	sing	0.00Å	1.54Å
C60	O12	sing	0.00Å	1.22Å
C60	C59	sing	0.00Å	1.54Å
C47	H52	sing	0.00Å	1.08Å
O11	H53	sing	0.00Å	0.95Å
O12	H54	sing	0.00Å	0.95Å
C49	H55	sing	0.00Å	1.10Å
C49	H56	sing	0.00Å	1.10Å
C50	H57	sing	0.00Å	1.10Å
C50	H58	sing	0.00Å	1.10Å
C51	H59	sing	0.00Å	1.10Å
C51	H60	sing	0.00Å	1.10Å
C52	H61	sing	0.00Å	1.10Å
C52	H62	sing	0.00Å	1.10Å
C53	H63	sing	0.00Å	1.10Å
C53	H64	sing	0.00Å	1.10Å
C54	H65	sing	0.00Å	1.10Å
C55	H66	sing	0.00Å	1.10Å
C55	H67	sing	0.00Å	1.10Å
C56	H68	sing	0.00Å	1.10Å
C56	H69	sing	0.00Å	1.10Å
C57	H70	sing	0.00Å	1.10Å
C59	H71	sing	0.00Å	1.10Å
C59	H72	sing	0.00Å	1.10Å
C1	C41	sing	0.00Å	1.44Å
C2	S1	sing	0.00Å	1.72Å
C2	N1	sing	0.00Å	1.33Å
C3	C45	sing	0.00Å	1.43Å
C5	N2	sing	0.00Å	1.32Å
C8	S2	sing	0.00Å	1.74Å
C8	N4	sing	0.00Å	1.34Å
C13	N5	sing	0.00Å	1.38Å
C17	N6	sing	0.00Å	1.33Å
C17	S3	sing	0.00Å	1.79Å
C22	N7	sing	0.00Å	1.33Å
C27	N8	sing	0.00Å	1.30Å
C29	S4	sing	0.00Å	1.78Å
C29	N9	sing	0.00Å	1.31Å
C38	N10	sing	0.00Å	1.32Å
C38	S5	sing	0.00Å	1.74Å
C41	N11	sing	0.00Å	1.33Å
C44	S6	sing	0.00Å	1.76Å
C44	N12	sing	0.00Å	1.31Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	119.9°	90.0°
C2	C1	H1	90.0°	90.0°
C2	C1	C41	123.1°	90.0°
C1	C2	S1	119.1°	90.0°
C1	C2	N1	126.6°	90.0°
C3	C1	H1	90.0°	90.0°
C1	C3	H2	107.0°	90.0°
C1	C3	H3	107.0°	90.0°
C3	C1	C41	117.0°	90.0°
C1	C3	C45	119.1°	90.0°
H1	C1	C41	90.0°	90.0°
H2	C3	H3	109.5°	90.0°
H2	C3	C45	107.0°	90.0°
H3	C3	C45	107.0°	90.0°
N1	C4	C5	122.7°	90.0°
N1	C4	C6	113.5°	90.0°
C4	N1	H4	109.2°	90.0°
C4	N1	C2	110.5°	90.0°
C5	C4	C6	123.9°	90.0°
C4	C5	O1	122.9°	90.0°
C4	C5	N2	114.4°	90.0°
C4	C6	S1	111.1°	90.0°
C4	C6	H5	124.5°	90.0°
O1	C5	N2	122.7°	90.0°
S1	C6	H5	124.5°	90.0°
C6	S1	C2	90.6°	90.0°
H4	N1	C2	109.2°	90.0°
C7	N2	H6	116.6°	90.0°
N2	C7	C8	113.2°	90.0°
N2	C7	C9	112.4°	90.0°
N2	C7	H7	108.5°	90.0°
C7	N2	C5	126.9°	90.0°
H6	N2	C5	116.5°	90.0°
C8	C7	C9	107.2°	90.0°
C8	C7	H7	107.8°	90.0°
C7	C8	S2	124.6°	90.0°
C7	C8	N4	122.9°	90.0°
C9	C7	H7	107.5°	90.0°
C7	C9	C10	116.8°	90.0°
C7	C9	H8	107.6°	90.0°
C7	C9	H9	107.6°	90.0°
C10	C9	H8	107.6°	90.0°
C10	C9	H9	107.6°	90.0°
C9	C10	O2	119.6°	90.0°
C9	C10	N3	118.8°	90.0°
H8	C9	H9	109.5°	90.0°
O2	C10	N3	121.6°	90.0°
C10	N3	C11	127.5°	90.0°
C10	N3	H10	116.3°	90.0°
C11	N3	H10	116.3°	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	118.6°	90.0°
N4	C12	C14	112.0°	90.0°
C12	N4	H14	108.2°	90.0°
C12	N4	C8	114.5°	90.0°
C13	C12	C14	129.4°	90.0°
C12	C13	O3	124.7°	90.0°
C12	C13	N5	113.2°	90.0°
C12	C14	S2	110.7°	90.0°
C12	C14	C15	130.9°	90.0°
O3	C13	N5	122.1°	90.0°
S2	C14	C15	118.4°	90.0°
C14	S2	C8	90.3°	90.0°
C14	C15	H15	109.5°	90.0°
C14	C15	H16	109.4°	90.0°
C14	C15	H17	109.5°	90.0°
H14	N4	C8	108.2°	90.0°
H15	C15	H16	109.5°	90.0°
H15	C15	H17	109.5°	90.0°
H16	C15	H17	109.4°	90.0°
C16	N5	H18	114.3°	90.0°
N5	C16	C17	105.4°	90.0°
N5	C16	C18	112.5°	90.0°
N5	C16	H19	110.0°	90.0°
C16	N5	C13	131.4°	90.0°
H18	N5	C13	114.3°	90.0°
C17	C16	C18	112.0°	90.0°
C17	C16	H19	109.0°	90.0°
C16	C17	N6	124.0°	90.0°
C16	C17	S3	125.4°	90.0°
C18	C16	H19	107.9°	90.0°
C16	C18	C19	113.6°	90.0°
C16	C18	C20	113.1°	90.0°
C16	C18	H20	107.8°	90.0°
C19	C18	C20	105.0°	90.0°
C19	C18	H20	108.5°	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	109.4°	90.0°
H22	C19	H23	109.4°	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	123.0°	90.0°
N6	C21	C23	113.5°	90.0°
C21	N6	H27	108.0°	90.0°
C21	N6	C17	115.3°	90.0°
C22	C21	C23	123.5°	90.0°
C21	C22	O4	127.0°	90.0°
C21	C22	N7	109.3°	90.0°
C21	C23	S3	110.4°	90.0°
C21	C23	C24	126.8°	90.0°
O4	C22	N7	123.7°	90.0°
S3	C23	C24	122.7°	90.0°
C23	S3	C17	90.2°	90.0°
C23	C24	O5	111.7°	90.0°
C23	C24	H28	108.9°	90.0°
C23	C24	H29	108.9°	90.0°
C24	O5	C25	107.5°	90.0°
O5	C24	H28	108.9°	90.0°
O5	C24	H29	108.9°	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	108.0°	90.0°
H28	C24	H29	109.5°	90.0°
H30	C25	H31	109.5°	90.0°
H30	C25	H32	109.4°	90.0°
H31	C25	H32	109.5°	90.0°
C26	N7	H33	117.7°	90.0°
N7	C26	C27	106.8°	90.0°
N7	C26	H34	110.1°	90.0°
N7	C26	H35	110.1°	90.0°
C26	N7	C22	124.6°	90.0°
H33	N7	C22	117.7°	90.0°
C27	C26	H34	110.1°	90.0°
C27	C26	H35	110.1°	90.0°
C26	C27	O6	123.7°	90.0°
C26	C27	N8	116.5°	90.0°
H34	C26	H35	109.5°	90.0°
O6	C27	N8	119.9°	90.0°
N8	C28	C29	108.6°	90.0°
N8	C28	C30	110.3°	90.0°
C28	N8	H36	117.7°	90.0°
N8	C28	H37	108.6°	90.0°
C28	N8	C27	124.6°	90.0°
C29	C28	C30	114.9°	90.0°
C29	C28	H37	107.4°	90.0°
C28	C29	S4	123.2°	90.0°
C28	C29	N9	124.2°	90.0°
C28	C30	O7	110.4°	90.0°
C28	C30	C31	113.6°	90.0°
C30	C28	H37	106.9°	90.0°
C28	C30	H38	107.4°	90.0°
O7	C30	C31	108.0°	90.0°
O7	C30	H38	109.3°	90.0°
C30	O7	H39	109.5°	90.0°
C30	C31	C32	120.0°	90.0°
C30	C31	C36	120.4°	90.0°
C31	C30	H38	108.1°	90.0°
C32	C31	C36	119.6°	90.0°
C31	C32	C33	119.7°	90.0°
C31	C32	H40	120.1°	90.0°
C31	C36	C35	120.2°	90.0°
C31	C36	H41	119.9°	90.0°
C32	C33	C34	120.1°	90.0°
C33	C32	H40	120.2°	90.0°
C32	C33	H42	119.9°	90.0°
C33	C34	C35	120.8°	90.0°
C34	C33	H42	119.9°	90.0°
C33	C34	H43	119.6°	90.0°
C34	C35	C36	119.6°	90.0°
C35	C34	H43	119.6°	90.0°
C34	C35	H44	120.2°	90.0°
C35	C36	H41	119.9°	90.0°
C36	C35	H44	120.2°	90.0°
H36	N8	C27	117.7°	90.0°
N9	C37	C38	118.3°	90.0°
N9	C37	C39	114.7°	90.0°
C37	N9	H45	108.6°	90.0°
C37	N9	C29	113.0°	90.0°
C38	C37	C39	127.1°	90.0°
C37	C38	N10	123.0°	90.0°
C37	C38	S5	123.1°	90.0°
C37	C39	S4	110.6°	90.0°
C37	C39	H46	124.7°	90.0°
S4	C39	H46	124.7°	90.0°
C39	S4	C29	89.1°	90.0°
H45	N9	C29	108.6°	90.0°
N10	C40	C41	121.4°	90.0°
N10	C40	C42	112.3°	90.0°
C40	N10	H47	108.5°	90.0°
C40	N10	C38	113.3°	90.0°
C41	C40	C42	126.3°	90.0°
C40	C41	C1	123.4°	90.0°
C40	C41	N11	114.3°	90.0°
C40	C42	S5	112.1°	90.0°
C40	C42	H48	124.0°	90.0°
S5	C42	H48	124.0°	90.0°
C42	S5	C38	88.5°	90.0°
H47	N10	C38	108.5°	90.0°
N11	C43	C44	120.4°	90.0°
N11	C43	C45	119.2°	90.0°
C43	N11	C41	123.2°	90.0°
C44	C43	C45	120.4°	90.0°
C43	C44	S6	121.2°	90.0°
C43	C44	N12	124.2°	90.0°
C43	C45	H49	107.0°	90.0°
C43	C45	H50	107.0°	90.0°
C43	C45	C3	119.1°	90.0°
H49	C45	H50	109.5°	90.0°
H49	C45	C3	107.0°	90.0°
H50	C45	C3	107.0°	90.0°
C46	N12	H51	108.5°	90.0°
N12	C46	N13	121.5°	90.0°
N12	C46	C47	111.9°	90.0°
C46	N12	C44	113.3°	90.0°
H51	N12	C44	108.5°	90.0°
C54	O9	C48	127.2°	90.0°
O9	C54	C53	116.1°	90.0°
O9	C54	C55	108.4°	90.0°
O9	C54	H65	108.1°	90.0°
N13	C46	C47	126.6°	90.0°
C46	N13	C49	113.7°	90.0°
C46	N13	C48	123.1°	90.0°
C46	C47	S6	113.1°	90.0°
C46	C47	H52	123.4°	90.0°
S6	C47	H52	123.5°	90.0°
C47	S6	C44	87.2°	90.0°
C49	N13	C48	123.2°	90.0°
N13	C49	C50	112.1°	90.0°
N13	C49	H55	108.8°	90.0°
N13	C49	H56	108.8°	90.0°
N13	C48	O8	129.3°	90.0°
N13	C48	O9	107.4°	90.0°
O13	C60	O12	122.3°	90.0°
O13	C60	C59	112.0°	90.0°
O8	C48	O9	123.3°	90.0°
C49	C50	C51	112.7°	90.0°
C50	C49	H55	108.8°	90.0°
C50	C49	H56	108.8°	90.0°
C49	C50	H57	108.6°	90.0°
C49	C50	H58	108.7°	90.0°
C50	C51	C59	113.2°	90.0°
C51	C50	H57	108.7°	90.0°
C51	C50	H58	108.7°	90.0°
C50	C51	H59	108.5°	90.0°
C50	C51	H60	108.5°	90.0°
C57	C52	C53	117.9°	90.0°
C52	C57	C56	109.0°	90.0°
C52	C57	C58	110.9°	90.0°
C57	C52	H61	107.3°	90.0°
C57	C52	H62	107.3°	90.0°
C52	C57	H70	108.3°	90.0°
C52	C53	C54	109.2°	90.0°
C53	C52	H61	107.3°	90.0°
C53	C52	H62	107.3°	90.0°
C52	C53	H63	109.5°	90.0°
C52	C53	H64	109.5°	90.0°
C53	C54	C55	110.4°	90.0°
C54	C53	H63	109.5°	90.0°
C54	C53	H64	109.5°	90.0°
C53	C54	H65	106.6°	90.0°
C54	C55	C56	111.1°	90.0°
C55	C54	H65	106.7°	90.0°
C54	C55	H66	109.1°	90.0°
C54	C55	H67	109.1°	90.0°
C55	C56	C57	115.0°	90.0°
C56	C55	H66	109.0°	90.0°
C56	C55	H67	109.0°	90.0°
C55	C56	H68	108.1°	90.0°
C55	C56	H69	108.1°	90.0°
C56	C57	C58	111.0°	90.0°
C57	C56	H68	108.0°	90.0°
C57	C56	H69	108.1°	90.0°
C56	C57	H70	108.5°	90.0°
C57	C58	O10	121.0°	90.0°
C57	C58	O11	115.6°	90.0°
C58	C57	H70	109.1°	90.0°
O10	C58	O11	123.4°	90.0°
C58	O11	H53	109.5°	90.0°
C51	C59	C60	113.2°	90.0°
C59	C51	H59	108.6°	90.0°
C59	C51	H60	108.5°	90.0°
C51	C59	H71	108.6°	90.0°
C51	C59	H72	108.5°	90.0°
O12	C60	C59	125.6°	90.0°
C60	O12	H54	109.5°	90.0°
C60	C59	H71	108.5°	90.0°
C60	C59	H72	108.5°	90.0°
H55	C49	H56	109.4°	90.0°
H57	C50	H58	109.5°	90.0°
H59	C51	H60	109.5°	90.0°
H61	C52	H62	109.5°	90.0°
H63	C53	H64	109.4°	90.0°
H66	C55	H67	109.5°	90.0°
H68	C56	H69	109.5°	90.0°
H71	C59	H72	109.5°	90.0°
C1	C41	N11	122.3°	90.0°
S1	C2	N1	114.3°	90.0°
S2	C8	N4	112.5°	90.0°
N6	C17	S3	110.6°	90.0°
S4	C29	N9	112.6°	90.0°
N10	C38	S5	113.9°	90.0°
S6	C44	N12	114.6°	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	179.9°	90.0°
C2	C1	H1	C41	123.1°	90.0°
C2	C1	C3	H2	59.0°	90.0°
C2	C1	C3	H3	58.3°	90.0°
C1	C2	N1	C4	178.5°	90.0°
C1	C2	S1	C6	178.8°	90.0°
C1	C2	N1	H4	61.3°	90.0°
C2	C1	C41	C40	1.1°	90.0°
C1	C2	S1	N1	178.5°	90.0°
C2	C1	C3	C45	179.6°	90.0°
C2	C1	C41	N11	180.0°	90.0°
C3	C1	H1	C41	117.0°	90.0°
C1	C3	H2	H3	115.6°	90.0°
C1	C3	H2	C45	128.8°	90.0°
C1	C3	H3	C45	128.8°	90.0°
C3	C1	C41	C40	179.0°	90.0°
C1	C3	C45	C43	0.4°	90.0°
C1	C3	C45	H49	121.0°	90.0°
C1	C3	C45	H50	121.7°	90.0°
C3	C1	C2	S1	39.7°	90.0°
C3	C1	C2	N1	142.1°	90.0°
C3	C1	C41	N11	0.0°	90.0°
H1	C1	C3	H2	149.0°	90.0°
H1	C1	C3	H3	31.7°	90.0°
H1	C1	C41	C40	88.9°	90.0°
H1	C1	C2	S1	129.7°	90.0°
H1	C1	C2	N1	52.0°	90.0°
H1	C1	C3	C45	89.6°	90.0°
H1	C1	C41	N11	90.0°	90.0°
H2	C3	H3	C45	115.6°	90.0°
H2	C3	C45	C43	121.0°	90.0°
H2	C3	C45	H49	117.6°	90.0°
H2	C3	C45	H50	0.3°	90.0°
H2	C3	C1	C41	121.0°	90.0°
H3	C3	C45	C43	121.7°	90.0°
H3	C3	C45	H49	0.3°	90.0°
H3	C3	C45	H50	116.9°	90.0°
H3	C3	C1	C41	121.8°	90.0°
N1	C4	C5	C6	178.8°	90.0°
N1	C4	C5	O1	166.9°	90.0°
N1	C4	C6	S1	0.4°	90.0°
C4	N1	H4	C2	121.0°	90.0°
N1	C4	C6	H5	179.6°	90.0°
C4	N1	C2	S1	0.2°	90.0°
N1	C4	C5	N2	11.4°	90.0°
C4	C5	O1	N2	178.2°	90.0°
C5	C4	C6	S1	178.5°	90.0°
C5	C4	N1	H4	61.1°	90.0°
C5	C4	C6	H5	1.5°	90.0°
C4	C5	N2	C7	178.2°	90.0°
C4	C5	N2	H6	1.8°	90.0°
C5	C4	N1	C2	178.8°	90.0°
C6	C4	C5	O1	11.9°	90.0°
C4	C6	S1	H5	180.0°	90.0°
C6	C4	N1	H4	120.0°	90.0°
C4	C6	S1	C2	0.4°	90.0°
C6	C4	N1	C2	0.1°	90.0°
C6	C4	C5	N2	169.8°	90.0°
O1	C5	N2	C7	0.1°	90.0°
O1	C5	N2	H6	179.9°	90.0°
C6	S1	C2	N1	0.4°	90.0°
H4	N1	C2	S1	120.4°	90.0°
H5	C6	S1	C2	179.6°	90.0°
C7	N2	H6	C5	180.0°	90.0°
N2	C7	C8	C9	124.5°	90.0°
N2	C7	C8	H7	120.0°	90.0°
N2	C7	C9	H7	119.3°	90.0°
N2	C7	C9	C10	56.7°	90.0°
N2	C7	C9	H8	177.7°	90.0°
N2	C7	C9	H9	64.3°	90.0°
N2	C7	C8	S2	11.6°	90.0°
N2	C7	C8	N4	167.6°	90.0°
H6	N2	C7	C8	61.1°	90.0°
H6	N2	C7	C9	60.5°	90.0°
H6	N2	C7	H7	179.3°	90.0°
C8	C7	C9	H7	115.7°	90.0°
C8	C7	C9	C10	68.3°	90.0°
C8	C7	C9	H8	52.7°	90.0°
C8	C7	C9	H9	170.6°	90.0°
C7	C8	N4	C12	179.2°	90.0°
C7	C8	S2	C14	179.0°	90.0°
C7	C8	N4	H14	58.5°	90.0°
C8	C7	N2	C5	118.9°	90.0°
C7	C8	S2	N4	179.3°	90.0°
C7	C9	C10	H8	121.0°	90.0°
C7	C9	C10	H9	121.0°	90.0°
C7	C9	H8	H9	116.7°	90.0°
C7	C9	C10	O2	9.2°	90.0°
C7	C9	C10	N3	170.8°	90.0°
C9	C7	N2	C5	119.5°	90.0°
C9	C7	C8	S2	136.1°	90.0°
C9	C7	C8	N4	43.1°	90.0°
H7	C7	C9	C10	176.0°	90.0°
H7	C7	C9	H8	63.0°	90.0°
H7	C7	C9	H9	55.0°	90.0°
H7	C7	N2	C5	0.7°	90.0°
H7	C7	C8	S2	108.4°	90.0°
H7	C7	C8	N4	72.4°	90.0°
C10	C9	H8	H9	116.7°	90.0°
C9	C10	O2	N3	180.0°	90.0°
C9	C10	N3	C11	179.9°	90.0°
C9	C10	N3	H10	0.1°	90.0°
H8	C9	C10	O2	130.2°	90.0°
H8	C9	C10	N3	49.8°	90.0°
H9	C9	C10	O2	111.9°	90.0°
H9	C9	C10	N3	68.2°	90.0°
O2	C10	N3	C11	0.1°	90.0°
O2	C10	N3	H10	179.9°	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	175.8°	90.0°
N4	C12	C14	S2	0.3°	90.0°
N4	C12	C14	C15	179.6°	90.0°
C12	N4	H14	C8	124.6°	90.0°
C12	N4	C8	S2	0.1°	90.0°
N4	C12	C13	N5	3.4°	90.0°
C12	C13	O3	N5	179.0°	90.0°
C13	C12	C14	S2	179.2°	90.0°
C13	C12	C14	C15	0.7°	90.0°
C13	C12	N4	H14	58.5°	90.0°
C12	C13	N5	C16	179.6°	90.0°
C12	C13	N5	H18	0.4°	90.0°
C13	C12	N4	C8	179.2°	90.0°
C14	C12	C13	O3	3.1°	90.0°
C12	C14	S2	C15	180.0°	90.0°
C14	C12	N4	H14	120.6°	90.0°
C12	C14	C15	H15	180.0°	90.0°
C12	C14	C15	H16	60.0°	90.0°
C12	C14	C15	H17	59.9°	90.0°
C12	C14	S2	C8	0.3°	90.0°
C14	C12	N4	C8	0.1°	90.0°
C14	C12	C13	N5	177.8°	90.0°
O3	C13	N5	C16	0.5°	90.0°
O3	C13	N5	H18	179.5°	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	0.2°	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	179.7°	90.0°
H14	N4	C8	S2	120.8°	90.0°
H15	C15	H16	H17	120.0°	90.0°
C16	N5	H18	C13	180.0°	90.0°
N5	C16	C17	C18	122.7°	90.0°
N5	C16	C17	H19	118.0°	90.0°
N5	C16	C18	H19	121.5°	90.0°
N5	C16	C18	C19	179.1°	90.0°
N5	C16	C18	C20	61.3°	90.0°
N5	C16	C18	H20	58.8°	90.0°
N5	C16	C17	N6	50.9°	90.0°
N5	C16	C17	S3	128.6°	90.0°
H18	N5	C16	C17	34.5°	90.0°
H18	N5	C16	C18	87.9°	90.0°
H18	N5	C16	H19	151.8°	90.0°
C17	C16	C18	H19	120.0°	90.0°
C17	C16	C18	C19	60.5°	90.0°
C17	C16	C18	C20	179.9°	90.0°
C17	C16	C18	H20	59.7°	90.0°
C16	C17	N6	C21	179.3°	90.0°
C16	C17	S3	C23	179.0°	90.0°
C16	C17	N6	H27	58.5°	90.0°
C17	C16	N5	C13	145.5°	90.0°
C16	C17	N6	S3	179.6°	90.0°
C16	C18	C19	C20	124.1°	90.0°
C16	C18	C19	H20	119.9°	90.0°
C16	C18	C20	H20	119.7°	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	92.1°	90.0°
C18	C16	C17	N6	71.7°	90.0°
C18	C16	C17	S3	108.7°	90.0°
H19	C16	C18	C19	59.4°	90.0°
H19	C16	C18	C20	60.2°	90.0°
H19	C16	C18	H20	179.7°	90.0°
H19	C16	N5	C13	28.2°	90.0°
H19	C16	C17	N6	168.9°	90.0°
H19	C16	C17	S3	10.6°	90.0°
C19	C18	C20	H20	115.9°	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	55.6°	90.0°
C19	C18	C20	H25	64.4°	90.0°
C19	C18	C20	H26	175.6°	90.0°
C20	C18	C19	H21	55.9°	90.0°
C20	C18	C19	H22	175.9°	90.0°
C20	C18	C19	H23	64.1°	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	60.1°	90.0°
H20	C18	C19	H22	59.9°	90.0°
H20	C18	C19	H23	179.9°	90.0°
H20	C18	C20	H24	60.3°	90.0°
H20	C18	C20	H25	179.7°	90.0°
H20	C18	C20	H26	59.7°	90.0°
H21	C19	H22	H23	119.9°	90.0°
H24	C20	H25	H26	120.0°	90.0°
N6	C21	C22	C23	179.2°	90.0°
N6	C21	C22	O4	163.7°	90.0°
N6	C21	C23	S3	0.6°	90.0°
N6	C21	C23	C24	179.1°	90.0°
C21	N6	H27	C17	125.3°	90.0°
C21	N6	C17	S3	0.3°	90.0°
N6	C21	C22	N7	17.0°	90.0°
C21	C22	O4	N7	179.2°	90.0°
C22	C21	C23	S3	179.9°	90.0°
C22	C21	C23	C24	0.2°	90.0°
C22	C21	N6	H27	58.6°	90.0°
C21	C22	N7	C26	179.1°	90.0°
C21	C22	N7	H33	0.9°	90.0°
C22	C21	N6	C17	179.4°	90.0°
C23	C21	C22	O4	17.1°	90.0°
C21	C23	S3	C24	179.7°	90.0°
C21	C23	C24	O5	179.0°	90.0°
C23	C21	N6	H27	120.7°	90.0°
C21	C23	C24	H28	60.6°	90.0°
C21	C23	C24	H29	58.7°	90.0°
C23	C21	N6	C17	0.2°	90.0°
C21	C23	S3	C17	0.6°	90.0°
C23	C21	C22	N7	162.2°	90.0°
O4	C22	N7	C26	0.2°	90.0°
O4	C22	N7	H33	179.8°	90.0°
S3	C23	C24	O5	0.6°	90.0°
S3	C23	C24	H28	119.7°	90.0°
S3	C23	C24	H29	120.9°	90.0°
C23	S3	C17	N6	0.6°	90.0°
C23	C24	O5	H28	120.3°	90.0°
C23	C24	O5	H29	120.3°	90.0°
C23	C24	O5	C25	179.3°	90.0°
C23	C24	H28	H29	119.0°	90.0°
C24	C23	S3	C17	179.1°	90.0°
O5	C24	H28	H29	119.0°	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	60.3°	90.0°
C25	O5	C24	H29	59.0°	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	121.2°	90.0°
H30	C25	H31	H32	120.0°	90.0°
C26	N7	H33	C22	180.0°	90.0°
N7	C26	C27	H34	119.6°	90.0°
N7	C26	C27	H35	119.6°	90.0°
N7	C26	H34	H35	121.2°	90.0°
N7	C26	C27	O6	5.3°	90.0°
N7	C26	C27	N8	174.5°	90.0°
H33	N7	C26	C27	99.8°	90.0°
H33	N7	C26	H34	140.6°	90.0°
H33	N7	C26	H35	19.8°	90.0°
C27	C26	H34	H35	121.2°	90.0°
C26	C27	O6	N8	179.7°	90.0°
C26	C27	N8	C28	179.6°	90.0°
C26	C27	N8	H36	0.4°	90.0°
C27	C26	N7	C22	80.2°	90.0°
H34	C26	C27	O6	114.3°	90.0°
H34	C26	N7	C22	39.3°	90.0°
H34	C26	C27	N8	65.9°	90.0°
H35	C26	C27	O6	124.8°	90.0°
H35	C26	N7	C22	160.2°	90.0°
H35	C26	C27	N8	54.9°	90.0°
O6	C27	N8	C28	0.1°	90.0°
O6	C27	N8	H36	179.8°	90.0°
N8	C28	C29	C30	124.0°	90.0°
N8	C28	C29	H37	117.2°	90.0°
N8	C28	C30	H37	117.9°	90.0°
N8	C28	C30	O7	156.3°	90.0°
N8	C28	C30	C31	82.2°	90.0°
C28	N8	H36	C27	180.0°	90.0°
N8	C28	C30	H38	37.3°	90.0°
N8	C28	C29	S4	63.2°	90.0°
N8	C28	C29	N9	117.8°	90.0°
C29	C28	C30	H37	119.1°	90.0°
C29	C28	C30	O7	33.3°	90.0°
C29	C28	C30	C31	154.7°	90.0°
C29	C28	N8	H36	88.2°	90.0°
C29	C28	C30	H38	85.8°	90.0°
C28	C29	N9	C37	178.5°	90.0°
C28	C29	S4	C39	178.5°	90.0°
C28	C29	N9	H45	57.9°	90.0°
C29	C28	N8	C27	91.9°	90.0°
C28	C29	S4	N9	179.0°	90.0°
C28	C30	O7	C31	124.7°	90.0°
C28	C30	O7	H38	117.9°	90.0°
C28	C30	C31	H38	119.1°	90.0°
C28	C30	C31	C32	135.2°	90.0°
C28	C30	C31	C36	44.8°	90.0°
C30	C28	N8	H36	38.5°	90.0°
C28	C30	O7	H39	180.0°	90.0°
C30	C28	N8	C27	141.5°	90.0°
C30	C28	C29	S4	60.8°	90.0°
C30	C28	C29	N9	118.2°	90.0°
O7	C30	C31	H38	118.1°	90.0°
O7	C30	C31	C32	102.1°	90.0°
O7	C30	C31	C36	78.0°	90.0°
O7	C30	C28	H37	85.8°	90.0°
C30	C31	C32	C36	179.9°	90.0°
C30	C31	C32	C33	179.8°	90.0°
C30	C31	C36	C35	179.8°	90.0°
C31	C30	C28	H37	35.6°	90.0°
C31	C30	O7	H39	55.3°	90.0°
C30	C31	C32	H40	0.2°	90.0°
C30	C31	C36	H41	0.2°	90.0°
C31	C32	C33	H40	180.0°	90.0°
C31	C32	C33	C34	0.1°	90.0°
C32	C31	C36	C35	0.1°	90.0°
C32	C31	C30	H38	16.1°	90.0°
C32	C31	C36	H41	179.9°	90.0°
C31	C32	C33	H42	179.9°	90.0°
C36	C31	C32	C33	0.1°	90.0°
C31	C36	C35	C34	0.0°	90.0°
C31	C36	C35	H41	180.0°	90.0°
C36	C31	C30	H38	163.9°	90.0°
C36	C31	C32	H40	179.9°	90.0°
C31	C36	C35	H44	180.0°	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	0.1°	90.0°
C34	C33	C32	H40	180.0°	90.0°
C33	C34	C35	H44	179.9°	90.0°
C34	C35	C36	H44	180.0°	90.0°
C34	C35	C36	H41	180.0°	90.0°
C35	C34	C33	H42	179.9°	90.0°
C36	C35	C34	H43	179.9°	90.0°
H36	N8	C28	H37	155.3°	90.0°
H37	C28	C30	H38	155.2°	90.0°
H37	C28	N8	C27	24.6°	90.0°
H37	C28	C29	S4	179.5°	90.0°
H37	C28	C29	N9	0.6°	90.0°
H38	C30	O7	H39	62.1°	90.0°
H40	C32	C33	H42	0.0°	90.0°
H41	C36	C35	H44	0.0°	90.0°
H42	C33	C34	H43	0.1°	90.0°
H43	C34	C35	H44	0.1°	90.0°
N9	C37	C38	C39	179.4°	90.0°
N9	C37	C39	S4	0.1°	90.0°
C37	N9	H45	C29	123.2°	90.0°
N9	C37	C39	H46	179.9°	90.0°
C37	N9	C29	S4	0.6°	90.0°
N9	C37	C38	N10	178.7°	90.0°
N9	C37	C38	S5	1.2°	90.0°
C38	C37	C39	S4	179.5°	90.0°
C38	C37	N9	H45	58.6°	90.0°
C38	C37	C39	H46	0.4°	90.0°
C37	C38	N10	C40	179.9°	90.0°
C37	C38	S5	C42	180.0°	90.0°
C37	C38	N10	H47	59.5°	90.0°
C38	C37	N9	C29	179.2°	90.0°
C37	C38	N10	S5	179.9°	90.0°
C37	C39	S4	H46	180.0°	90.0°
C39	C37	N9	H45	120.8°	90.0°
C37	C39	S4	C29	0.3°	90.0°
C39	C37	N9	C29	0.3°	90.0°
C39	C37	C38	N10	0.7°	90.0°
C39	C37	C38	S5	179.4°	90.0°
C39	S4	C29	N9	0.5°	90.0°
H45	N9	C29	S4	121.1°	90.0°
H46	C39	S4	C29	179.7°	90.0°
N10	C40	C41	C42	178.3°	90.0°
N10	C40	C42	S5	0.2°	90.0°
C40	N10	H47	C38	123.4°	90.0°
N10	C40	C42	H48	179.8°	90.0°
N10	C40	C41	C1	31.2°	90.0°
C40	N10	C38	S5	0.0°	90.0°
N10	C40	C41	N11	149.8°	90.0°
C41	C40	C42	S5	178.6°	90.0°
C41	C40	N10	H47	58.1°	90.0°
C41	C40	C42	H48	1.4°	90.0°
C40	C41	N11	C43	178.6°	90.0°
C40	C41	C1	N11	178.9°	90.0°
C41	C40	N10	C38	178.6°	90.0°
C40	C42	S5	H48	180.0°	90.0°
C42	C40	N10	H47	120.4°	90.0°
C42	C40	C41	C1	147.1°	90.0°
C42	C40	N10	C38	0.1°	90.0°
C40	C42	S5	C38	0.1°	90.0°
C42	C40	C41	N11	31.9°	90.0°
C42	S5	C38	N10	0.1°	90.0°
H47	N10	C38	S5	120.5°	90.0°
H48	C42	S5	C38	179.9°	90.0°
N11	C43	C44	C45	179.0°	90.0°
N11	C43	C45	H49	121.5°	90.0°
N11	C43	C45	H50	121.3°	90.0°
C43	N11	C41	C1	0.4°	90.0°
N11	C43	C45	C3	0.1°	90.0°
N11	C43	C44	S6	1.2°	90.0°
N11	C43	C44	N12	177.7°	90.0°
C44	C43	C45	H49	57.5°	90.0°
C44	C43	C45	H50	59.7°	90.0°
C43	C44	N12	C46	178.7°	90.0°
C43	C44	N12	H51	58.1°	90.0°
C43	C44	S6	C47	178.9°	90.0°
C44	C43	C45	C3	178.9°	90.0°
C44	C43	N11	C41	178.5°	90.0°
C43	C44	S6	N12	179.0°	90.0°
C43	C45	H49	H50	115.6°	90.0°
C43	C45	H49	C3	128.8°	90.0°
C43	C45	H50	C3	128.7°	90.0°
C45	C43	N11	C41	0.5°	90.0°
C45	C43	C44	S6	179.8°	90.0°
C45	C43	C44	N12	1.3°	90.0°
H49	C45	H50	C3	115.6°	90.0°
C46	N12	H51	C44	123.4°	90.0°
N12	C46	N13	C47	179.2°	90.0°
N12	C46	C47	S6	0.2°	90.0°
N12	C46	N13	C49	31.3°	90.0°
N12	C46	N13	C48	149.7°	90.0°
N12	C46	C47	H52	179.8°	90.0°
C46	N12	C44	S6	0.3°	90.0°
H51	N12	C46	N13	58.5°	90.0°
H51	N12	C46	C47	120.9°	90.0°
H51	N12	C44	S6	120.8°	90.0°
C54	O9	C48	N13	178.9°	90.0°
C54	O9	C48	O8	0.6°	90.0°
O9	C54	C53	C52	177.9°	90.0°
O9	C54	C53	C55	124.0°	90.0°
O9	C54	C53	H65	120.5°	90.0°
O9	C54	C55	H65	116.2°	90.0°
O9	C54	C55	C56	171.0°	90.0°
O9	C54	C53	H63	62.1°	90.0°
O9	C54	C53	H64	57.9°	90.0°
O9	C54	C55	H66	68.7°	90.0°
O9	C54	C55	H67	50.8°	90.0°
N13	C46	C47	S6	179.1°	90.0°
C46	N13	C49	C48	179.0°	90.0°
C46	N13	C48	O8	2.0°	90.0°
C46	N13	C48	O9	176.2°	90.0°
C46	N13	C49	C50	102.2°	90.0°
N13	C46	C47	H52	0.9°	90.0°
C46	N13	C49	H55	137.4°	90.0°
C46	N13	C49	H56	18.2°	90.0°
N13	C46	N12	C44	179.0°	90.0°
C46	C47	S6	H52	180.0°	90.0°
C47	C46	N13	C49	149.5°	90.0°
C47	C46	N13	C48	29.5°	90.0°
C46	C47	S6	C44	0.0°	90.0°
C47	C46	N12	C44	0.3°	90.0°
C47	S6	C44	N12	0.1°	90.0°
C49	N13	C48	O8	177.0°	90.0°
C49	N13	C48	O9	4.8°	90.0°
N13	C49	C50	H55	120.4°	90.0°
N13	C49	C50	H56	120.4°	90.0°
N13	C49	C50	C51	179.2°	90.0°
N13	C49	H55	H56	118.8°	90.0°
N13	C49	C50	H57	58.7°	90.0°
N13	C49	C50	H58	60.3°	90.0°
N13	C48	O8	O9	177.9°	90.0°
C48	N13	C49	C50	78.7°	90.0°
C48	N13	C49	H55	41.7°	90.0°
C48	N13	C49	H56	160.9°	90.0°
O13	C60	C59	C51	179.9°	90.0°
O13	C60	O12	C59	179.8°	90.0°
O13	C60	O12	H54	0.0°	90.0°
O13	C60	C59	H71	59.6°	90.0°
O13	C60	C59	H72	59.3°	90.0°
C48	O9	C54	C53	44.2°	90.0°
C48	O9	C54	C55	80.8°	90.0°
C48	O9	C54	H65	163.9°	90.0°
C49	C50	C51	H57	120.5°	90.0°
C49	C50	C51	H58	120.5°	90.0°
C49	C50	C51	C59	179.9°	90.0°
C50	C49	H55	H56	118.8°	90.0°
C49	C50	H57	H58	118.5°	90.0°
C49	C50	C51	H59	59.4°	90.0°
C49	C50	C51	H60	59.6°	90.0°
C50	C51	C59	H59	120.6°	90.0°
C50	C51	C59	H60	120.5°	90.0°
C50	C51	C59	C60	179.1°	90.0°
C51	C50	C49	H55	60.4°	90.0°
C51	C50	C49	H56	58.8°	90.0°
C51	C50	H57	H58	118.5°	90.0°
C50	C51	H59	H60	118.3°	90.0°
C50	C51	C59	H71	58.5°	90.0°
C50	C51	C59	H72	60.3°	90.0°
C57	C52	C53	H61	121.2°	90.0°
C57	C52	C53	H62	121.2°	90.0°
C57	C52	C53	C54	51.9°	90.0°
C52	C57	C56	C55	44.0°	90.0°
C52	C57	C56	C58	122.4°	90.0°
C52	C57	C56	H70	117.7°	90.0°
C52	C57	C58	H70	119.1°	90.0°
C52	C57	C58	O10	48.3°	90.0°
C52	C57	C58	O11	131.9°	90.0°
C57	C52	H61	H62	116.2°	90.0°
C57	C52	C53	H63	68.1°	90.0°
C57	C52	C53	H64	171.8°	90.0°
C52	C57	C56	H68	164.8°	90.0°
C52	C57	C56	H69	76.8°	90.0°
C52	C53	C54	H63	120.0°	90.0°
C52	C53	C54	H64	120.0°	90.0°
C52	C53	C54	C55	58.1°	90.0°
C53	C52	C57	C56	44.1°	90.0°
C53	C52	C57	C58	166.6°	90.0°
C53	C52	H61	H62	116.2°	90.0°
C52	C53	H63	H64	120.1°	90.0°
C52	C53	C54	H65	57.4°	90.0°
C53	C52	C57	H70	73.8°	90.0°
C53	C54	C55	H65	115.5°	90.0°
C53	C54	C55	C56	60.7°	90.0°
C54	C53	C52	H61	173.0°	90.0°
C54	C53	C52	H62	69.4°	90.0°
C54	C53	H63	H64	120.1°	90.0°
C53	C54	C55	H66	59.6°	90.0°
C53	C54	C55	H67	179.1°	90.0°
C54	C55	C56	H66	120.3°	90.0°
C54	C55	C56	H67	120.2°	90.0°
C54	C55	C56	C57	54.6°	90.0°
C55	C54	C53	H63	61.9°	90.0°
C55	C54	C53	H64	178.1°	90.0°
C54	C55	H66	H67	119.2°	90.0°
C54	C55	C56	H68	175.4°	90.0°
C54	C55	C56	H69	66.2°	90.0°
C55	C56	C57	H68	120.8°	90.0°
C55	C56	C57	H69	120.8°	90.0°
C55	C56	C57	C58	166.5°	90.0°
C56	C55	C54	H65	54.8°	90.0°
C56	C55	H66	H67	119.2°	90.0°
C55	C56	H68	H69	117.5°	90.0°
C55	C56	C57	H70	73.6°	90.0°
C56	C57	C58	H70	119.5°	90.0°
C56	C57	C58	O10	73.0°	90.0°
C56	C57	C58	O11	106.8°	90.0°
C56	C57	C52	H61	165.3°	90.0°
C56	C57	C52	H62	77.1°	90.0°
C57	C56	C55	H66	65.6°	90.0°
C57	C56	C55	H67	174.9°	90.0°
C57	C56	H68	H69	117.5°	90.0°
C57	C58	O10	O11	179.8°	90.0°
C57	C58	O11	H53	179.8°	90.0°
C58	C57	C52	H61	72.2°	90.0°
C58	C57	C52	H62	45.4°	90.0°
C58	C57	C56	H68	72.7°	90.0°
C58	C57	C56	H69	45.6°	90.0°
O10	C58	O11	H53	0.0°	90.0°
O10	C58	C57	H70	167.4°	90.0°
O11	C58	C57	H70	12.7°	90.0°
C51	C59	C60	O12	0.3°	90.0°
C51	C59	C60	H71	120.6°	90.0°
C51	C59	C60	H72	120.5°	90.0°
C59	C51	C50	H57	59.6°	90.0°
C59	C51	C50	H58	59.5°	90.0°
C59	C51	H59	H60	118.3°	90.0°
C51	C59	H71	H72	118.3°	90.0°
O12	C60	C59	H71	120.3°	90.0°
O12	C60	C59	H72	120.8°	90.0°
C59	C60	O12	H54	179.8°	90.0°
C60	C59	C51	H59	60.3°	90.0°
C60	C59	C51	H60	58.6°	90.0°
C60	C59	H71	H72	118.3°	90.0°
H52	C47	S6	C44	180.0°	90.0°
H55	C49	C50	H57	179.1°	90.0°
H55	C49	C50	H58	60.1°	90.0°
H56	C49	C50	H57	61.7°	90.0°
H56	C49	C50	H58	179.3°	90.0°
H57	C50	C51	H59	179.8°	90.0°
H57	C50	C51	H60	60.9°	90.0°
H58	C50	C51	H59	61.1°	90.0°
H58	C50	C51	H60	180.0°	90.0°
H59	C51	C59	H71	179.1°	90.0°
H59	C51	C59	H72	60.2°	90.0°
H60	C51	C59	H71	62.0°	90.0°
H60	C51	C59	H72	179.1°	90.0°
H61	C52	C53	H63	53.0°	90.0°
H61	C52	C53	H64	67.0°	90.0°
H61	C52	C57	H70	47.4°	90.0°
H62	C52	C53	H63	170.6°	90.0°
H62	C52	C53	H64	50.6°	90.0°
H62	C52	C57	H70	165.0°	90.0°
H63	C53	C54	H65	177.4°	90.0°
H64	C53	C54	H65	62.6°	90.0°
H65	C54	C55	H66	175.0°	90.0°
H65	C54	C55	H67	65.5°	90.0°
H66	C55	C56	H68	55.2°	90.0°
H66	C55	C56	H69	173.6°	90.0°
H67	C55	C56	H68	64.3°	90.0°
H67	C55	C56	H69	54.1°	90.0°
H68	C56	C57	H70	47.2°	90.0°
H69	C56	C57	H70	165.5°	90.0°
C41	C1	C2	S1	140.3°	90.0°
C41	C1	C2	N1	38.0°	90.0°
C41	C1	C3	C45	0.4°	90.0°

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