PRD_001255

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.45Å
C1	C3	sing	0.00Å	1.36Å
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	1.40Å
C4	C5	sing	0.00Å	1.43Å
C4	C6	doub	0.00Å	1.35Å
C5	O1	doub	0.00Å	1.23Å
C6	S1	sing	0.00Å	1.69Å
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	1.53Å
C7	C9	sing	0.00Å	1.55Å
C7	H7	sing	0.00Å	1.10Å
C8	O2	doub	0.00Å	1.23Å
C9	C10	sing	0.00Å	1.52Å
C9	C11	sing	0.00Å	1.52Å
C9	H8	sing	0.00Å	1.10Å
C10	H9	sing	0.00Å	1.10Å
C10	H10	sing	0.00Å	1.10Å
C10	H11	sing	0.00Å	1.10Å
C11	H12	sing	0.00Å	1.10Å
C11	H13	sing	0.00Å	1.10Å
C11	H14	sing	0.00Å	1.10Å
N3	C12	sing	0.00Å	1.46Å
N3	H15	sing	0.00Å	1.00Å
C12	C13	sing	0.00Å	1.45Å
C12	H16	sing	0.00Å	1.10Å
C12	H17	sing	0.00Å	1.10Å
C17	C15	sing	0.00Å	1.50Å
O3	C15	sing	0.00Å	1.41Å
C15	C14	doub	0.00Å	1.33Å
C14	N4	sing	0.00Å	1.41Å
C14	C16	sing	0.00Å	1.53Å
O4	C16	doub	0.00Å	1.23Å
N4	H18	sing	0.00Å	1.00Å
C17	H19	sing	0.00Å	1.10Å
C17	H20	sing	0.00Å	1.10Å
C17	H21	sing	0.00Å	1.10Å
N5	C18	sing	0.00Å	1.46Å
N5	H22	sing	0.00Å	1.00Å
C18	C19	sing	0.00Å	1.55Å
C18	C20	sing	0.00Å	1.52Å
C18	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	1.43Å
C21	C22	sing	0.00Å	1.45Å
C21	C23	doub	0.00Å	1.36Å
C22	O5	doub	0.00Å	1.23Å
C23	S2	sing	0.00Å	1.69Å
N6	H27	sing	0.00Å	1.00Å
C23	H28	sing	0.00Å	1.08Å
N7	C24	sing	0.00Å	1.46Å
N7	H29	sing	0.00Å	1.00Å
C24	C25	sing	0.00Å	1.52Å
C24	C26	sing	0.00Å	1.52Å
C24	H30	sing	0.00Å	1.10Å
C26	H31	sing	0.00Å	1.10Å
C26	H32	sing	0.00Å	1.10Å
C26	H33	sing	0.00Å	1.10Å
C30	C28	sing	0.00Å	1.49Å
O6	C28	sing	0.00Å	1.41Å
C28	C27	doub	0.00Å	1.32Å
C27	N8	sing	0.00Å	1.39Å
C27	C29	sing	0.00Å	1.49Å
N8	H34	sing	0.00Å	1.00Å
C30	H35	sing	0.00Å	1.10Å
C30	H36	sing	0.00Å	1.10Å
C30	H37	sing	0.00Å	1.10Å
C31	O7	doub	0.00Å	1.23Å
C31	C32	sing	0.00Å	1.50Å
C32	C33	sing	0.00Å	1.37Å
C32	N9	doub	0.00Å	1.35Å
C33	H38	sing	0.00Å	1.10Å
C33	H39	sing	0.00Å	1.10Å
N9	H40	sing	0.00Å	1.00Å
N10	C34	sing	0.00Å	1.47Å
N10	H41	sing	0.00Å	1.00Å
C34	C35	sing	0.00Å	1.53Å
C34	C36	sing	0.00Å	1.54Å
C34	H42	sing	0.00Å	1.10Å
C35	O8	doub	0.00Å	1.23Å
C36	H43	sing	0.00Å	1.10Å
C36	H44	sing	0.00Å	1.10Å
C36	H45	sing	0.00Å	1.10Å
N11	H46	sing	0.00Å	1.00Å
N11	H47	sing	0.00Å	1.00Å
C1	C29	sing	0.00Å	1.36Å
C2	N1	sing	0.00Å	1.36Å
C2	S1	sing	0.00Å	1.66Å
C3	C33	sing	0.00Å	1.37Å
C5	N2	sing	0.00Å	1.33Å
C8	N3	sing	0.00Å	1.33Å
C13	N4	sing	0.00Å	1.35Å
C13	O3	sing	0.00Å	1.37Å
C16	N5	sing	0.00Å	1.33Å
C19	S2	sing	0.00Å	1.67Å
C19	N6	sing	0.00Å	1.37Å
C22	N7	sing	0.00Å	1.33Å
C25	O6	sing	0.00Å	1.37Å
C25	N8	sing	0.00Å	1.33Å
C29	N9	sing	0.00Å	1.35Å
C31	N10	sing	0.00Å	1.32Å
C35	N11	sing	0.00Å	1.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	120.6°	90.0°
C2	C1	H1	92.0°	90.0°
C2	C1	C29	120.7°	90.0°
C1	C2	N1	128.0°	90.0°
C1	C2	S1	120.8°	90.0°
C3	C1	H1	92.2°	90.0°
C1	C3	H2	106.3°	90.0°
C1	C3	H3	106.3°	90.0°
C3	C1	C29	118.3°	90.0°
C1	C3	C33	121.8°	90.0°
H1	C1	C29	92.2°	90.0°
H2	C3	H3	109.5°	90.0°
H2	C3	C33	106.3°	90.0°
H3	C3	C33	106.3°	90.0°
N1	C4	C5	121.0°	90.0°
N1	C4	C6	113.0°	90.0°
C4	N1	H4	108.8°	90.0°
C4	N1	C2	112.2°	90.0°
C5	C4	C6	126.0°	90.0°
C4	C5	O1	121.4°	90.0°
C4	C5	N2	114.9°	90.0°
C4	C6	S1	110.3°	90.0°
C4	C6	H5	124.9°	90.0°
O1	C5	N2	123.8°	90.0°
S1	C6	H5	124.9°	90.0°
C6	S1	C2	93.6°	90.0°
H4	N1	C2	108.8°	90.0°
C7	N2	H6	117.7°	90.0°
N2	C7	C8	108.1°	90.0°
N2	C7	C9	112.6°	90.0°
N2	C7	H7	109.7°	90.0°
C7	N2	C5	124.6°	90.0°
H6	N2	C5	117.7°	90.0°
C8	C7	C9	108.9°	90.0°
C8	C7	H7	108.9°	90.0°
C7	C8	O2	119.6°	90.0°
C7	C8	N3	118.2°	90.0°
C9	C7	H7	108.5°	90.0°
C7	C9	C10	110.6°	90.0°
C7	C9	C11	112.2°	90.0°
C7	C9	H8	107.9°	90.0°
O2	C8	N3	122.2°	90.0°
C10	C9	C11	109.4°	90.0°
C10	C9	H8	108.3°	90.0°
C9	C10	H9	109.5°	90.0°
C9	C10	H10	109.5°	90.0°
C9	C10	H11	109.4°	90.0°
C11	C9	H8	108.3°	90.0°
C9	C11	H12	109.5°	90.0°
C9	C11	H13	109.5°	90.0°
C9	C11	H14	109.5°	90.0°
H9	C10	H10	109.5°	90.0°
H9	C10	H11	109.5°	90.0°
H10	C10	H11	109.5°	90.0°
H12	C11	H13	109.5°	90.0°
H12	C11	H14	109.5°	90.0°
H13	C11	H14	109.5°	90.0°
C12	N3	H15	120.0°	90.0°
N3	C12	C13	113.3°	90.0°
N3	C12	H16	108.5°	90.0°
N3	C12	H17	108.5°	90.0°
C12	N3	C8	120.0°	90.0°
H15	N3	C8	120.0°	90.0°
C13	C12	H16	108.5°	90.0°
C13	C12	H17	108.5°	90.0°
C12	C13	N4	119.8°	90.0°
C12	C13	O3	131.1°	90.0°
H16	C12	H17	109.5°	90.0°
C17	C15	O3	120.9°	90.0°
C17	C15	C14	132.6°	90.0°
C15	C17	H19	109.5°	90.0°
C15	C17	H20	109.5°	90.0°
C15	C17	H21	109.5°	90.0°
O3	C15	C14	106.5°	90.0°
C15	O3	C13	108.2°	90.0°
C15	C14	N4	109.9°	90.0°
C15	C14	C16	134.9°	90.0°
N4	C14	C16	115.1°	90.0°
C14	N4	H18	110.2°	90.0°
C14	N4	C13	106.4°	90.0°
C14	C16	O4	119.2°	90.0°
C14	C16	N5	116.5°	90.0°
O4	C16	N5	124.2°	90.0°
H18	N4	C13	110.2°	90.0°
H19	C17	H20	109.5°	90.0°
H19	C17	H21	109.4°	90.0°
H20	C17	H21	109.5°	90.0°
C18	N5	H22	118.1°	90.0°
N5	C18	C19	115.5°	90.0°
N5	C18	C20	109.3°	90.0°
N5	C18	H23	108.1°	90.0°
C18	N5	C16	123.8°	90.0°
H22	N5	C16	118.1°	90.0°
C19	C18	C20	109.2°	90.0°
C19	C18	H23	107.1°	90.0°
C18	C19	S2	119.5°	90.0°
C18	C19	N6	129.2°	90.0°
C20	C18	H23	107.4°	90.0°
C18	C20	H24	109.5°	90.0°
C18	C20	H25	109.5°	90.0°
C18	C20	H26	109.5°	90.0°
H24	C20	H25	109.4°	90.0°
H24	C20	H26	109.5°	90.0°
H25	C20	H26	109.5°	90.0°
N6	C21	C22	127.0°	90.0°
N6	C21	C23	111.4°	90.0°
C21	N6	H27	108.8°	90.0°
C21	N6	C19	112.1°	90.0°
C22	C21	C23	121.6°	90.0°
C21	C22	O5	120.5°	90.0°
C21	C22	N7	117.9°	90.0°
C21	C23	S2	111.8°	90.0°
C21	C23	H28	124.1°	90.0°
O5	C22	N7	121.7°	90.0°
S2	C23	H28	124.1°	90.0°
C23	S2	C19	93.4°	90.0°
H27	N6	C19	108.8°	90.0°
C24	N7	H29	119.0°	90.0°
N7	C24	C25	112.1°	90.0°
N7	C24	C26	111.1°	90.0°
N7	C24	H30	108.3°	90.0°
C24	N7	C22	122.0°	90.0°
H29	N7	C22	119.0°	90.0°
C25	C24	C26	110.1°	90.0°
C25	C24	H30	107.6°	90.0°
C24	C25	O6	122.1°	90.0°
C24	C25	N8	127.0°	90.0°
C26	C24	H30	107.5°	90.0°
C24	C26	H31	109.5°	90.0°
C24	C26	H32	109.5°	90.0°
C24	C26	H33	109.4°	90.0°
H31	C26	H32	109.4°	90.0°
H31	C26	H33	109.5°	90.0°
H32	C26	H33	109.5°	90.0°
C30	C28	O6	124.2°	90.0°
C30	C28	C27	129.2°	90.0°
C28	C30	H35	109.5°	90.0°
C28	C30	H36	109.4°	90.0°
C28	C30	H37	109.5°	90.0°
O6	C28	C27	106.6°	90.0°
C28	O6	C25	105.9°	90.0°
C28	C27	N8	111.3°	90.0°
C28	C27	C29	128.4°	90.0°
N8	C27	C29	120.0°	90.0°
C27	N8	H34	110.5°	90.0°
C27	N8	C25	105.3°	90.0°
C27	C29	C1	118.1°	90.0°
C27	C29	N9	119.8°	90.0°
H34	N8	C25	110.5°	90.0°
H35	C30	H36	109.5°	90.0°
H35	C30	H37	109.5°	90.0°
H36	C30	H37	109.5°	90.0°
O7	C31	C32	116.8°	90.0°
O7	C31	N10	117.0°	90.0°
C31	C32	C33	124.5°	90.0°
C31	C32	N9	112.6°	90.0°
C32	C31	N10	107.8°	90.0°
C33	C32	N9	122.6°	90.0°
C32	C33	H38	107.6°	90.0°
C32	C33	H39	107.6°	90.0°
C32	C33	C3	116.9°	90.0°
C32	N9	H40	120.6°	90.0°
C32	N9	C29	118.8°	90.0°
H38	C33	H39	109.5°	90.0°
H38	C33	C3	107.6°	90.0°
H39	C33	C3	107.6°	90.0°
H40	N9	C29	120.6°	90.0°
C34	N10	H41	118.2°	90.0°
N10	C34	C35	112.4°	90.0°
N10	C34	C36	110.8°	90.0°
N10	C34	H42	108.2°	90.0°
C34	N10	C31	123.6°	90.0°
H41	N10	C31	118.2°	90.0°
C35	C34	C36	110.4°	90.0°
C35	C34	H42	107.5°	90.0°
C34	C35	O8	120.7°	90.0°
C34	C35	N11	116.9°	90.0°
C36	C34	H42	107.3°	90.0°
C34	C36	H43	109.5°	90.0°
C34	C36	H44	109.5°	90.0°
C34	C36	H45	109.4°	90.0°
O8	C35	N11	122.3°	90.0°
H43	C36	H44	109.5°	90.0°
H43	C36	H45	109.5°	90.0°
H44	C36	H45	109.5°	90.0°
H46	N11	H47	120.0°	90.0°
H46	N11	C35	120.0°	90.0°
H47	N11	C35	120.0°	90.0°
C1	C29	N9	121.5°	90.0°
N1	C2	S1	111.0°	90.0°
N4	C13	O3	109.1°	90.0°
S2	C19	N6	111.3°	90.0°
O6	C25	N8	110.9°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	93.6°	90.0°
C2	C1	C3	C29	172.7°	90.0°
C2	C1	H1	C29	120.8°	90.0°
C2	C1	C3	H2	67.1°	90.0°
C2	C1	C3	H3	49.4°	90.0°
C1	C2	N1	C4	174.6°	90.0°
C1	C2	S1	C6	175.0°	90.0°
C1	C2	N1	H4	54.2°	90.0°
C2	C1	C29	C27	19.2°	90.0°
C1	C2	N1	S1	175.0°	90.0°
C2	C1	C3	C33	171.2°	90.0°
C2	C1	C29	N9	170.0°	90.0°
C3	C1	H1	C29	118.5°	90.0°
C1	C3	H2	H3	114.5°	90.0°
C1	C3	H2	C33	131.2°	90.0°
C1	C3	H3	C33	131.2°	90.0°
C3	C1	C29	C27	168.1°	90.0°
C1	C3	C33	C32	0.2°	90.0°
C1	C3	C33	H38	121.3°	90.0°
C1	C3	C33	H39	120.8°	90.0°
C3	C1	C2	N1	133.4°	90.0°
C3	C1	C2	S1	41.2°	90.0°
C3	C1	C29	N9	2.7°	90.0°
H1	C1	C3	H2	26.5°	90.0°
H1	C1	C3	H3	143.1°	90.0°
H1	C1	C29	C27	74.5°	90.0°
H1	C1	C2	N1	132.8°	90.0°
H1	C1	C2	S1	52.6°	90.0°
H1	C1	C3	C33	95.2°	90.0°
H1	C1	C29	N9	96.3°	90.0°
H2	C3	H3	C33	114.4°	90.0°
H2	C3	C33	C32	122.0°	90.0°
H2	C3	C33	H38	117.0°	90.0°
H2	C3	C33	H39	0.9°	90.0°
H2	C3	C1	C29	120.1°	90.0°
H3	C3	C33	C32	121.5°	90.0°
H3	C3	C33	H38	0.4°	90.0°
H3	C3	C33	H39	117.4°	90.0°
H3	C3	C1	C29	123.3°	90.0°
N1	C4	C5	C6	176.7°	90.0°
N1	C4	C5	O1	179.2°	90.0°
N1	C4	C6	S1	0.2°	90.0°
C4	N1	H4	C2	122.5°	90.0°
N1	C4	C6	H5	179.8°	90.0°
C4	N1	C2	S1	0.4°	90.0°
N1	C4	C5	N2	1.8°	90.0°
C4	C5	O1	N2	178.9°	90.0°
C5	C4	C6	S1	176.7°	90.0°
C5	C4	N1	H4	62.4°	90.0°
C5	C4	C6	H5	3.3°	90.0°
C4	C5	N2	C7	178.7°	90.0°
C4	C5	N2	H6	1.3°	90.0°
C5	C4	N1	C2	177.2°	90.0°
C6	C4	C5	O1	4.2°	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	0.4°	90.0°
C6	C4	C5	N2	174.8°	90.0°
O1	C5	N2	C7	0.3°	90.0°
O1	C5	N2	H6	179.7°	90.0°
C6	S1	C2	N1	0.4°	90.0°
H4	N1	C2	S1	120.8°	90.0°
H5	C6	S1	C2	179.7°	90.0°
C7	N2	H6	C5	180.0°	90.0°
N2	C7	C8	C9	122.7°	90.0°
N2	C7	C8	H7	119.2°	90.0°
N2	C7	C9	H7	121.7°	90.0°
N2	C7	C8	O2	10.7°	90.0°
N2	C7	C9	C10	179.7°	90.0°
N2	C7	C9	C11	57.8°	90.0°
N2	C7	C9	H8	61.4°	90.0°
N2	C7	C8	N3	168.6°	90.0°
H6	N2	C7	C8	4.4°	90.0°
H6	N2	C7	C9	116.0°	90.0°
H6	N2	C7	H7	123.0°	90.0°
C8	C7	C9	H7	118.4°	90.0°
C7	C8	O2	N3	179.3°	90.0°
C8	C7	C9	C10	59.8°	90.0°
C8	C7	C9	C11	177.7°	90.0°
C8	C7	C9	H8	58.5°	90.0°
C7	C8	N3	C12	179.1°	90.0°
C7	C8	N3	H15	0.8°	90.0°
C8	C7	N2	C5	175.6°	90.0°
C9	C7	C8	O2	112.0°	90.0°
C7	C9	C10	C11	124.2°	90.0°
C7	C9	C10	H8	118.0°	90.0°
C7	C9	C11	H8	119.0°	90.0°
C7	C9	C10	H9	180.0°	90.0°
C7	C9	C10	H10	60.0°	90.0°
C7	C9	C10	H11	60.0°	90.0°
C7	C9	C11	H12	180.0°	90.0°
C7	C9	C11	H13	60.0°	90.0°
C7	C9	C11	H14	60.0°	90.0°
C9	C7	N2	C5	64.0°	90.0°
C9	C7	C8	N3	68.7°	90.0°
H7	C7	C8	O2	129.9°	90.0°
H7	C7	C9	C10	58.6°	90.0°
H7	C7	C9	C11	63.9°	90.0°
H7	C7	C9	H8	176.9°	90.0°
H7	C7	N2	C5	57.0°	90.0°
H7	C7	C8	N3	49.4°	90.0°
O2	C8	N3	C12	0.1°	90.0°
O2	C8	N3	H15	179.9°	90.0°
C10	C9	C11	H8	117.8°	90.0°
C9	C10	H9	H10	120.0°	90.0°
C9	C10	H9	H11	120.0°	90.0°
C9	C10	H10	H11	120.0°	90.0°
C10	C9	C11	H12	56.8°	90.0°
C10	C9	C11	H13	63.2°	90.0°
C10	C9	C11	H14	176.8°	90.0°
C11	C9	C10	H9	55.8°	90.0°
C11	C9	C10	H10	175.9°	90.0°
C11	C9	C10	H11	64.1°	90.0°
C9	C11	H12	H13	120.0°	90.0°
C9	C11	H12	H14	120.0°	90.0°
C9	C11	H13	H14	120.0°	90.0°
H8	C9	C10	H9	62.0°	90.0°
H8	C9	C10	H10	58.1°	90.0°
H8	C9	C10	H11	178.0°	90.0°
H8	C9	C11	H12	61.0°	90.0°
H8	C9	C11	H13	179.0°	90.0°
H8	C9	C11	H14	59.0°	90.0°
H9	C10	H10	H11	120.0°	90.0°
H12	C11	H13	H14	120.0°	90.0°
C12	N3	H15	C8	180.0°	90.0°
N3	C12	C13	H16	120.6°	90.0°
N3	C12	C13	H17	120.6°	90.0°
N3	C12	H16	H17	118.2°	90.0°
N3	C12	C13	N4	63.6°	90.0°
N3	C12	C13	O3	114.4°	90.0°
H15	N3	C12	C13	54.3°	90.0°
H15	N3	C12	H16	174.9°	90.0°
H15	N3	C12	H17	66.3°	90.0°
C13	C12	H16	H17	118.3°	90.0°
C12	C13	O3	C15	178.0°	90.0°
C12	C13	N4	C14	178.0°	90.0°
C12	C13	N4	H18	62.5°	90.0°
C13	C12	N3	C8	125.7°	90.0°
C12	C13	N4	O3	178.4°	90.0°
H16	C12	N3	C8	5.2°	90.0°
H16	C12	C13	N4	57.0°	90.0°
H16	C12	C13	O3	125.0°	90.0°
H17	C12	N3	C8	113.7°	90.0°
H17	C12	C13	N4	175.9°	90.0°
H17	C12	C13	O3	6.1°	90.0°
C17	C15	O3	C14	179.5°	90.0°
C17	C15	C14	N4	179.0°	90.0°
C17	C15	C14	C16	3.1°	90.0°
C15	C17	H19	H20	120.0°	90.0°
C15	C17	H19	H21	120.0°	90.0°
C15	C17	H20	H21	120.0°	90.0°
C17	C15	O3	C13	179.3°	90.0°
O3	C15	C14	N4	0.4°	90.0°
O3	C15	C14	C16	177.5°	90.0°
O3	C15	C17	H19	0.0°	90.0°
O3	C15	C17	H20	120.0°	90.0°
O3	C15	C17	H21	120.0°	90.0°
C15	O3	C13	N4	0.2°	90.0°
C15	C14	N4	C16	178.4°	90.0°
C15	C14	C16	O4	0.6°	90.0°
C15	C14	N4	H18	119.0°	90.0°
C14	C15	C17	H19	179.3°	90.0°
C14	C15	C17	H20	60.7°	90.0°
C14	C15	C17	H21	59.3°	90.0°
C15	C14	N4	C13	0.5°	90.0°
C14	C15	O3	C13	0.2°	90.0°
C15	C14	C16	N5	179.2°	90.0°
N4	C14	C16	O4	178.4°	90.0°
C14	N4	H18	C13	117.2°	90.0°
C14	N4	C13	O3	0.4°	90.0°
N4	C14	C16	N5	3.0°	90.0°
C14	C16	O4	N5	178.5°	90.0°
C16	C14	N4	H18	62.6°	90.0°
C14	C16	N5	C18	179.9°	90.0°
C14	C16	N5	H22	0.1°	90.0°
C16	C14	N4	C13	177.8°	90.0°
O4	C16	N5	C18	1.3°	90.0°
O4	C16	N5	H22	178.7°	90.0°
H18	N4	C13	O3	119.1°	90.0°
H19	C17	H20	H21	120.0°	90.0°
C18	N5	H22	C16	180.0°	90.0°
N5	C18	C19	C20	123.6°	90.0°
N5	C18	C19	H23	120.4°	90.0°
N5	C18	C20	H23	117.0°	90.0°
N5	C18	C20	H24	180.0°	90.0°
N5	C18	C20	H25	60.0°	90.0°
N5	C18	C20	H26	60.0°	90.0°
N5	C18	C19	S2	162.0°	90.0°
N5	C18	C19	N6	18.1°	90.0°
H22	N5	C18	C19	2.5°	90.0°
H22	N5	C18	C20	121.1°	90.0°
H22	N5	C18	H23	122.4°	90.0°
C19	C18	C20	H23	115.8°	90.0°
C19	C18	C20	H24	52.8°	90.0°
C19	C18	C20	H25	172.8°	90.0°
C19	C18	C20	H26	67.2°	90.0°
C18	C19	N6	C21	180.0°	90.0°
C18	C19	S2	C23	179.9°	90.0°
C18	C19	N6	H27	59.6°	90.0°
C19	C18	N5	C16	177.4°	90.0°
C18	C19	S2	N6	179.9°	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°
C20	C18	N5	C16	59.0°	90.0°
C20	C18	C19	S2	74.4°	90.0°
C20	C18	C19	N6	105.5°	90.0°
H23	C18	C20	H24	63.0°	90.0°
H23	C18	C20	H25	57.0°	90.0°
H23	C18	C20	H26	177.0°	90.0°
H23	C18	N5	C16	57.6°	90.0°
H23	C18	C19	S2	41.6°	90.0°
H23	C18	C19	N6	138.6°	90.0°
H24	C20	H25	H26	120.0°	90.0°
N6	C21	C22	C23	179.8°	90.0°
N6	C21	C22	O5	179.3°	90.0°
N6	C21	C23	S2	0.1°	90.0°
C21	N6	H27	C19	122.4°	90.0°
N6	C21	C23	H28	179.9°	90.0°
C21	N6	C19	S2	0.1°	90.0°
N6	C21	C22	N7	1.7°	90.0°
C21	C22	O5	N7	179.0°	90.0°
C22	C21	C23	S2	180.0°	90.0°
C22	C21	N6	H27	59.6°	90.0°
C22	C21	C23	H28	0.0°	90.0°
C21	C22	N7	C24	179.7°	90.0°
C21	C22	N7	H29	0.3°	90.0°
C22	C21	N6	C19	180.0°	90.0°
C23	C21	C22	O5	0.9°	90.0°
C21	C23	S2	H28	180.0°	90.0°
C23	C21	N6	H27	120.6°	90.0°
C21	C23	S2	C19	0.0°	90.0°
C23	C21	N6	C19	0.2°	90.0°
C23	C21	C22	N7	178.1°	90.0°
O5	C22	N7	C24	0.6°	90.0°
O5	C22	N7	H29	179.3°	90.0°
C23	S2	C19	N6	0.1°	90.0°
H27	N6	C19	S2	120.5°	90.0°
H28	C23	S2	C19	180.0°	90.0°
C24	N7	H29	C22	180.0°	90.0°
N7	C24	C25	C26	124.1°	90.0°
N7	C24	C25	H30	119.0°	90.0°
N7	C24	C26	H30	118.4°	90.0°
N7	C24	C26	H31	180.0°	90.0°
N7	C24	C26	H32	60.0°	90.0°
N7	C24	C26	H33	60.0°	90.0°
N7	C24	C25	O6	25.6°	90.0°
N7	C24	C25	N8	157.5°	90.0°
H29	N7	C24	C25	62.9°	90.0°
H29	N7	C24	C26	60.7°	90.0°
H29	N7	C24	H30	178.6°	90.0°
C25	C24	C26	H30	116.9°	90.0°
C25	C24	C26	H31	55.3°	90.0°
C25	C24	C26	H32	175.3°	90.0°
C25	C24	C26	H33	64.7°	90.0°
C24	C25	O6	C28	177.0°	90.0°
C24	C25	N8	C27	176.7°	90.0°
C24	C25	N8	H34	64.0°	90.0°
C25	C24	N7	C22	117.1°	90.0°
C24	C25	O6	N8	177.3°	90.0°
C24	C26	H31	H32	120.0°	90.0°
C24	C26	H31	H33	120.0°	90.0°
C24	C26	H32	H33	120.0°	90.0°
C26	C24	N7	C22	119.3°	90.0°
C26	C24	C25	O6	149.7°	90.0°
C26	C24	C25	N8	33.4°	90.0°
H30	C24	C26	H31	61.6°	90.0°
H30	C24	C26	H32	58.4°	90.0°
H30	C24	C26	H33	178.4°	90.0°
H30	C24	N7	C22	1.4°	90.0°
H30	C24	C25	O6	93.4°	90.0°
H30	C24	C25	N8	83.5°	90.0°
H31	C26	H32	H33	120.0°	90.0°
C30	C28	O6	C27	178.5°	90.0°
C30	C28	C27	N8	178.6°	90.0°
C30	C28	C27	C29	4.4°	90.0°
C28	C30	H35	H36	120.0°	90.0°
C28	C30	H35	H37	120.0°	90.0°
C28	C30	H36	H37	120.0°	90.0°
C30	C28	O6	C25	178.4°	90.0°
O6	C28	C27	N8	0.3°	90.0°
O6	C28	C27	C29	173.9°	90.0°
O6	C28	C30	H35	0.0°	90.0°
O6	C28	C30	H36	120.0°	90.0°
O6	C28	C30	H37	120.0°	90.0°
C28	O6	C25	N8	0.3°	90.0°
C28	C27	N8	C29	174.7°	90.0°
C28	C27	N8	H34	118.8°	90.0°
C27	C28	C30	H35	178.1°	90.0°
C27	C28	C30	H36	58.1°	90.0°
C27	C28	C30	H37	61.9°	90.0°
C28	C27	C29	C1	160.6°	90.0°
C27	C28	O6	C25	0.0°	90.0°
C28	C27	N8	C25	0.5°	90.0°
C28	C27	C29	N9	28.4°	90.0°
C27	N8	H34	C25	116.1°	90.0°
N8	C27	C29	C1	25.7°	90.0°
C27	N8	C25	O6	0.5°	90.0°
N8	C27	C29	N9	145.3°	90.0°
C29	C27	N8	H34	66.4°	90.0°
C27	C29	N9	C32	168.7°	90.0°
C27	C29	N9	H40	11.3°	90.0°
C27	C29	C1	N9	170.8°	90.0°
C29	C27	N8	C25	174.3°	90.0°
H34	N8	C25	O6	118.8°	90.0°
H35	C30	H36	H37	120.0°	90.0°
O7	C31	C32	N10	134.0°	90.0°
O7	C31	C32	C33	4.5°	90.0°
O7	C31	C32	N9	169.8°	90.0°
O7	C31	N10	C34	48.6°	90.0°
O7	C31	N10	H41	131.4°	90.0°
C31	C32	C33	N9	173.7°	90.0°
C31	C32	C33	H38	64.2°	90.0°
C31	C32	C33	H39	53.7°	90.0°
C31	C32	N9	H40	5.6°	90.0°
C32	C31	N10	C34	177.5°	90.0°
C32	C31	N10	H41	2.5°	90.0°
C31	C32	C33	C3	174.8°	90.0°
C31	C32	N9	C29	174.3°	90.0°
C32	C33	H38	H39	116.6°	90.0°
C32	C33	H38	C3	126.8°	90.0°
C32	C33	H39	C3	126.8°	90.0°
C33	C32	N9	H40	180.0°	90.0°
C33	C32	N9	C29	0.1°	90.0°
C33	C32	C31	N10	129.5°	90.0°
N9	C32	C33	H38	122.1°	90.0°
N9	C32	C33	H39	120.1°	90.0°
C32	N9	H40	C29	180.0°	90.0°
C32	N9	C29	C1	2.0°	90.0°
N9	C32	C33	C3	1.0°	90.0°
N9	C32	C31	N10	56.2°	90.0°
H38	C33	H39	C3	116.6°	90.0°
H40	N9	C29	C1	178.1°	90.0°
C34	N10	H41	C31	180.0°	90.0°
N10	C34	C35	C36	124.2°	90.0°
N10	C34	C35	H42	119.0°	90.0°
N10	C34	C36	H42	117.9°	90.0°
N10	C34	C35	O8	153.1°	90.0°
N10	C34	C36	H43	180.0°	90.0°
N10	C34	C36	H44	60.0°	90.0°
N10	C34	C36	H45	60.0°	90.0°
N10	C34	C35	N11	26.8°	90.0°
H41	N10	C34	C35	94.0°	90.0°
H41	N10	C34	C36	142.0°	90.0°
H41	N10	C34	H42	24.6°	90.0°
C35	C34	C36	H42	116.9°	90.0°
C34	C35	O8	N11	179.9°	90.0°
C35	C34	C36	H43	54.8°	90.0°
C35	C34	C36	H44	174.9°	90.0°
C35	C34	C36	H45	65.2°	90.0°
C34	C35	N11	H46	179.9°	90.0°
C34	C35	N11	H47	0.1°	90.0°
C35	C34	N10	C31	86.0°	90.0°
C36	C34	C35	O8	82.7°	90.0°
C34	C36	H43	H44	120.0°	90.0°
C34	C36	H43	H45	120.0°	90.0°
C34	C36	H44	H45	119.9°	90.0°
C36	C34	N10	C31	38.0°	90.0°
C36	C34	C35	N11	97.4°	90.0°
H42	C34	C35	O8	34.1°	90.0°
H42	C34	C36	H43	62.0°	90.0°
H42	C34	C36	H44	58.0°	90.0°
H42	C34	C36	H45	177.9°	90.0°
H42	C34	N10	C31	155.4°	90.0°
H42	C34	C35	N11	145.8°	90.0°
O8	C35	N11	H46	0.0°	90.0°
O8	C35	N11	H47	180.0°	90.0°
H43	C36	H44	H45	120.0°	90.0°
H46	N11	H47	C35	180.0°	90.0°
C29	C1	C2	N1	39.1°	90.0°
C29	C1	C2	S1	146.3°	90.0°
C29	C1	C3	C33	1.6°	90.0°

Release date:	2014-12-10
Last modified:	2023-11-03
Processing site:	PDBE