PRD_001066

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.52Å
C2	C3	sing	0.00Å	1.53Å
C3	C4	sing	0.00Å	1.53Å
C4	C5	sing	0.00Å	1.54Å
C5	C6	sing	0.00Å	1.55Å
C7	C8	sing	0.00Å	1.52Å
C9	C10	sing	0.00Å	1.52Å
C9	C11	sing	0.00Å	1.50Å
C1	O1	sing	0.00Å	1.39Å
C3	O2	sing	0.00Å	1.42Å
C9	O2	sing	0.00Å	1.41Å
C4	O3	sing	0.00Å	1.39Å
C1	O4	sing	0.00Å	1.40Å
C5	O4	sing	0.00Å	1.38Å
C6	O5	sing	0.00Å	1.39Å
C7	O6	doub	0.00Å	1.23Å
C10	O7	sing	0.00Å	1.23Å
C2	N1	sing	0.00Å	1.47Å
C7	N1	sing	0.00Å	1.34Å
C1	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
N1	H3	sing	0.00Å	1.00Å
C8	H4	sing	0.00Å	1.10Å
C8	H5	sing	0.00Å	1.10Å
C8	H6	sing	0.00Å	1.10Å
C3	H7	sing	0.00Å	1.10Å
C9	H8	sing	0.00Å	1.10Å
C11	H9	sing	0.00Å	1.10Å
C11	H10	sing	0.00Å	1.10Å
C11	H11	sing	0.00Å	1.10Å
C4	H12	sing	0.00Å	1.10Å
C5	H13	sing	0.00Å	1.10Å
C6	H14	sing	0.00Å	1.10Å
C6	H15	sing	0.00Å	1.10Å
O5	H16	sing	0.00Å	0.95Å
O3	H17	sing	0.00Å	0.95Å
O7	H18	sing	0.00Å	0.95Å
O1	H19	sing	0.00Å	0.95Å
N2	C12	sing	0.00Å	1.46Å
N2	H20	sing	0.00Å	1.00Å
C12	C13	sing	0.00Å	1.53Å
C12	C14	sing	0.00Å	1.50Å
C12	H21	sing	0.00Å	1.10Å
C13	O8	doub	0.00Å	1.23Å
C14	H22	sing	0.00Å	1.10Å
C14	H23	sing	0.00Å	1.10Å
C14	H24	sing	0.00Å	1.10Å
N4	C15	sing	0.00Å	1.35Å
C15	O9	doub	0.00Å	1.23Å
C15	C16	sing	0.00Å	1.51Å
N3	C16	sing	0.00Å	1.46Å
N3	H25	sing	0.00Å	1.00Å
N4	H26	sing	0.00Å	1.00Å
N4	H27	sing	0.00Å	1.00Å
C17	C16	sing	0.00Å	1.53Å
C16	H28	sing	0.00Å	1.10Å
C17	C19	sing	0.00Å	1.53Å
C17	H29	sing	0.00Å	1.10Å
C17	H30	sing	0.00Å	1.10Å
C19	C18	sing	0.00Å	1.55Å
O10	C18	doub	0.00Å	1.23Å
C19	H31	sing	0.00Å	1.10Å
C19	H32	sing	0.00Å	1.10Å
O11	C20	doub	0.00Å	1.34Å
C20	C21	sing	0.00Å	1.52Å
C20	N5	sing	0.00Å	1.24Å
C21	H33	sing	0.00Å	1.10Å
C21	H34	sing	0.00Å	1.10Å
C21	H35	sing	0.00Å	1.10Å
N5	C22	sing	0.00Å	1.46Å
N5	H36	sing	0.00Å	1.00Å
C22	C23	sing	0.00Å	1.52Å
C22	H37	sing	0.00Å	1.10Å
C22	H38	sing	0.00Å	1.10Å
C23	C24	sing	0.00Å	1.53Å
C23	H39	sing	0.00Å	1.10Å
C23	H40	sing	0.00Å	1.10Å
C24	C25	sing	0.00Å	1.54Å
C24	H41	sing	0.00Å	1.10Å
C24	H42	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.50Å
C25	H43	sing	0.00Å	1.10Å
C25	H44	sing	0.00Å	1.10Å
C26	N6	sing	0.00Å	1.47Å
C26	C27	sing	0.00Å	1.55Å
C26	H45	sing	0.00Å	1.10Å
N6	H46	sing	0.00Å	1.00Å
C27	O12	doub	0.00Å	1.25Å
N7	C28	sing	0.00Å	1.47Å
N7	H47	sing	0.00Å	1.00Å
C28	C29	sing	0.00Å	1.49Å
C28	C30	sing	0.00Å	1.49Å
C28	H48	sing	0.00Å	1.10Å
C29	H49	sing	0.00Å	1.10Å
C29	H50	sing	0.00Å	1.10Å
C29	H51	sing	0.00Å	1.10Å
C30	O13	doub	0.00Å	1.24Å
N8	H52	sing	0.00Å	1.00Å
N8	H53	sing	0.00Å	1.00Å
C10	N2	sing	0.00Å	1.34Å
C13	N3	sing	0.00Å	1.34Å
C18	N6	sing	0.00Å	1.35Å
C27	N7	sing	0.00Å	1.33Å
C30	N8	sing	0.00Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	107.8°	90.0°
C2	C1	O1	111.0°	90.0°
C2	C1	O4	111.5°	90.0°
C1	C2	N1	113.5°	90.0°
C2	C1	H1	107.3°	90.0°
C1	C2	H2	107.1°	90.0°
C2	C3	C4	109.7°	90.0°
C2	C3	O2	110.0°	90.0°
C3	C2	N1	113.3°	90.0°
C3	C2	H2	107.0°	90.0°
C2	C3	H7	107.7°	90.0°
C3	C4	C5	112.6°	90.0°
C4	C3	O2	112.5°	90.0°
C3	C4	O3	108.2°	90.0°
C4	C3	H7	107.8°	90.0°
C3	C4	H12	107.1°	90.0°
C4	C5	C6	114.5°	90.0°
C5	C4	O3	113.0°	90.0°
C4	C5	O4	111.8°	90.0°
C5	C4	H12	106.9°	90.0°
C4	C5	H13	106.4°	90.0°
C6	C5	O4	109.1°	90.0°
C5	C6	O5	109.9°	90.0°
C6	C5	H13	106.4°	90.0°
C5	C6	H14	109.4°	90.0°
C5	C6	H15	109.3°	90.0°
C8	C7	O6	118.9°	90.0°
C8	C7	N1	115.4°	90.0°
C7	C8	H4	109.5°	90.0°
C7	C8	H5	109.4°	90.0°
C7	C8	H6	109.5°	90.0°
C10	C9	C11	108.4°	90.0°
C10	C9	O2	112.7°	90.0°
C9	C10	O7	120.9°	90.0°
C10	C9	H8	108.3°	90.0°
C9	C10	N2	116.8°	90.0°
C11	C9	O2	109.3°	90.0°
C11	C9	H8	108.5°	90.0°
C9	C11	H9	109.5°	90.0°
C9	C11	H10	109.4°	90.0°
C9	C11	H11	109.5°	90.0°
O1	C1	O4	109.0°	90.0°
O1	C1	H1	109.0°	90.0°
C1	O1	H19	109.5°	90.0°
C3	O2	C9	122.0°	90.0°
O2	C3	H7	109.1°	90.0°
O2	C9	H8	109.6°	90.0°
O3	C4	H12	108.8°	90.0°
C4	O3	H17	109.5°	90.0°
C1	O4	C5	113.5°	90.0°
O4	C1	H1	108.9°	90.0°
O4	C5	H13	108.3°	90.0°
O5	C6	H14	109.3°	90.0°
O5	C6	H15	109.4°	90.0°
C6	O5	H16	109.5°	90.0°
O6	C7	N1	125.6°	90.0°
C10	O7	H18	109.5°	90.0°
O7	C10	N2	122.3°	90.0°
C2	N1	C7	119.0°	90.0°
N1	C2	H2	107.7°	90.0°
C2	N1	H3	120.5°	90.0°
C7	N1	H3	120.5°	90.0°
H4	C8	H5	109.5°	90.0°
H4	C8	H6	109.5°	90.0°
H5	C8	H6	109.5°	90.0°
H9	C11	H10	109.5°	90.0°
H9	C11	H11	109.5°	90.0°
H10	C11	H11	109.5°	90.0°
H14	C6	H15	109.5°	90.0°
C12	N2	H20	106.7°	90.0°
N2	C12	C13	113.4°	90.0°
N2	C12	C14	106.8°	90.0°
N2	C12	H21	109.0°	90.0°
C12	N2	C10	120.5°	90.0°
H20	N2	C10	106.6°	90.0°
C13	C12	C14	110.9°	90.0°
C13	C12	H21	108.1°	90.0°
C12	C13	O8	120.5°	90.0°
C12	C13	N3	117.4°	90.0°
C14	C12	H21	108.5°	90.0°
C12	C14	H22	109.5°	90.0°
C12	C14	H23	109.5°	90.0°
C12	C14	H24	109.5°	90.0°
O8	C13	N3	122.1°	90.0°
H22	C14	H23	109.4°	90.0°
H22	C14	H24	109.5°	90.0°
H23	C14	H24	109.5°	90.0°
N4	C15	O9	123.1°	90.0°
N4	C15	C16	117.7°	90.0°
C15	N4	H26	120.0°	90.0°
C15	N4	H27	120.0°	90.0°
O9	C15	C16	119.2°	90.0°
C15	C16	N3	110.5°	90.0°
C15	C16	C17	108.1°	90.0°
C15	C16	H28	110.0°	90.0°
C16	N3	H25	119.7°	90.0°
N3	C16	C17	107.7°	90.0°
N3	C16	H28	110.7°	90.0°
C16	N3	C13	120.7°	90.0°
H25	N3	C13	119.7°	90.0°
H26	N4	H27	120.0°	90.0°
C17	C16	H28	109.7°	90.0°
C16	C17	C19	113.1°	90.0°
C16	C17	H29	108.5°	90.0°
C16	C17	H30	108.6°	90.0°
C19	C17	H29	108.6°	90.0°
C19	C17	H30	108.6°	90.0°
C17	C19	C18	104.9°	90.0°
C17	C19	H31	110.6°	90.0°
C17	C19	H32	110.6°	90.0°
H29	C17	H30	109.5°	90.0°
C19	C18	O10	119.2°	90.0°
C18	C19	H31	110.6°	90.0°
C18	C19	H32	110.6°	90.0°
C19	C18	N6	115.6°	90.0°
O10	C18	N6	125.2°	90.0°
H31	C19	H32	109.5°	90.0°
O11	C20	C21	119.1°	90.0°
O11	C20	N5	123.4°	90.0°
C21	C20	N5	117.6°	90.0°
C20	C21	H33	109.5°	90.0°
C20	C21	H34	109.5°	90.0°
C20	C21	H35	109.4°	90.0°
C20	N5	C22	123.2°	90.0°
C20	N5	H36	118.4°	90.0°
H33	C21	H34	109.5°	90.0°
H33	C21	H35	109.5°	90.0°
H34	C21	H35	109.5°	90.0°
C22	N5	H36	118.4°	90.0°
N5	C22	C23	110.7°	90.0°
N5	C22	H37	109.2°	90.0°
N5	C22	H38	109.2°	90.0°
C23	C22	H37	109.2°	90.0°
C23	C22	H38	109.2°	90.0°
C22	C23	C24	113.4°	90.0°
C22	C23	H39	108.5°	90.0°
C22	C23	H40	108.5°	90.0°
H37	C22	H38	109.4°	90.0°
C24	C23	H39	108.5°	90.0°
C24	C23	H40	108.5°	90.0°
C23	C24	C25	109.8°	90.0°
C23	C24	H41	109.4°	90.0°
C23	C24	H42	109.4°	90.0°
H39	C23	H40	109.5°	90.0°
C25	C24	H41	109.4°	90.0°
C25	C24	H42	109.4°	90.0°
C24	C25	C26	112.7°	90.0°
C24	C25	H43	108.7°	90.0°
C24	C25	H44	108.7°	90.0°
H41	C24	H42	109.5°	90.0°
C26	C25	H43	108.6°	90.0°
C26	C25	H44	108.7°	90.0°
C25	C26	N6	110.3°	90.0°
C25	C26	C27	111.8°	90.0°
C25	C26	H45	108.2°	90.0°
H43	C25	H44	109.5°	90.0°
N6	C26	C27	110.3°	90.0°
N6	C26	H45	108.6°	90.0°
C26	N6	H46	119.4°	90.0°
C26	N6	C18	121.2°	90.0°
C27	C26	H45	107.6°	90.0°
C26	C27	O12	122.7°	90.0°
C26	C27	N7	113.3°	90.0°
H46	N6	C18	119.4°	90.0°
O12	C27	N7	124.0°	90.0°
C28	N7	H47	121.2°	90.0°
N7	C28	C29	110.7°	90.0°
N7	C28	C30	111.8°	90.0°
N7	C28	H48	108.5°	90.0°
C28	N7	C27	117.6°	90.0°
H47	N7	C27	121.2°	90.0°
C29	C28	C30	109.4°	90.0°
C29	C28	H48	108.2°	90.0°
C28	C29	H49	109.5°	90.0°
C28	C29	H50	109.5°	90.0°
C28	C29	H51	109.5°	90.0°
C30	C28	H48	108.2°	90.0°
C28	C30	O13	122.5°	90.0°
C28	C30	N8	113.6°	90.0°
H49	C29	H50	109.5°	90.0°
H49	C29	H51	109.5°	90.0°
H50	C29	H51	109.5°	90.0°
O13	C30	N8	123.9°	90.0°
H52	N8	H53	120.0°	90.0°
H52	N8	C30	120.0°	90.0°
H53	N8	C30	120.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N1	126.5°	90.0°
C1	C2	C3	H2	114.9°	90.0°
C1	C2	C3	C4	53.5°	90.0°
C2	C1	O1	O4	123.2°	90.0°
C2	C1	O1	H1	118.0°	90.0°
C1	C2	C3	O2	177.7°	90.0°
C2	C1	O4	H1	118.3°	90.0°
C2	C1	O4	C5	63.9°	90.0°
C1	C2	N1	H2	118.4°	90.0°
C1	C2	N1	C7	137.0°	90.0°
C1	C2	N1	H3	43.0°	90.0°
C1	C2	C3	H7	63.5°	90.0°
C2	C1	O1	H19	180.0°	90.0°
C2	C3	C4	O2	122.8°	90.0°
C2	C3	C4	H7	117.0°	90.0°
C2	C3	C4	C5	48.6°	90.0°
C3	C2	C1	O1	60.5°	90.0°
C2	C3	O2	H7	117.9°	90.0°
C2	C3	O2	C9	112.4°	90.0°
C2	C3	C4	O3	174.2°	90.0°
C3	C2	C1	O4	61.3°	90.0°
C3	C2	N1	H2	118.1°	90.0°
C3	C2	N1	C7	99.6°	90.0°
C3	C2	C1	H1	179.6°	90.0°
C3	C2	N1	H3	80.4°	90.0°
C2	C3	C4	H12	68.6°	90.0°
C3	C4	C5	O3	123.0°	90.0°
C3	C4	C5	H12	117.3°	90.0°
C3	C4	C5	C6	173.4°	90.0°
C4	C3	O2	H7	119.5°	90.0°
C4	C3	O2	C9	125.0°	90.0°
C3	C4	O3	H12	116.0°	90.0°
C3	C4	C5	O4	48.7°	90.0°
C4	C3	C2	N1	180.0°	90.0°
C4	C3	C2	H2	61.4°	90.0°
C3	C4	C5	H13	69.4°	90.0°
C3	C4	O3	H17	180.0°	90.0°
C4	C5	C6	O4	126.1°	90.0°
C4	C5	C6	H13	117.2°	90.0°
C5	C4	C3	O2	171.3°	90.0°
C5	C4	O3	H12	118.5°	90.0°
C4	C5	O4	C1	55.8°	90.0°
C4	C5	O4	H13	116.9°	90.0°
C4	C5	C6	O5	142.7°	90.0°
C5	C4	C3	H7	68.4°	90.0°
C4	C5	C6	H14	22.6°	90.0°
C4	C5	C6	H15	97.3°	90.0°
C5	C4	O3	H17	54.6°	90.0°
C6	C5	C4	O3	63.6°	90.0°
C6	C5	O4	C1	176.6°	90.0°
C6	C5	O4	H13	115.4°	90.0°
C5	C6	O5	H14	120.1°	90.0°
C5	C6	O5	H15	120.0°	90.0°
C6	C5	C4	H12	56.1°	90.0°
C5	C6	H14	H15	119.8°	90.0°
C5	C6	O5	H16	180.0°	90.0°
C8	C7	O6	N1	179.8°	90.0°
C8	C7	N1	C2	159.8°	90.0°
C8	C7	N1	H3	20.2°	90.0°
C7	C8	H4	H5	120.0°	90.0°
C7	C8	H4	H6	120.0°	90.0°
C7	C8	H5	H6	120.0°	90.0°
C10	C9	C11	O2	123.1°	90.0°
C10	C9	C11	H8	117.4°	90.0°
C10	C9	O2	C3	162.3°	90.0°
C10	C9	O2	H8	120.7°	90.0°
C9	C10	O7	N2	179.4°	90.0°
C10	C9	C11	H9	180.0°	90.0°
C10	C9	C11	H10	60.0°	90.0°
C10	C9	C11	H11	60.0°	90.0°
C9	C10	O7	H18	180.0°	90.0°
C9	C10	N2	C12	179.8°	90.0°
C9	C10	N2	H20	58.2°	90.0°
C11	C9	O2	C3	77.1°	90.0°
C11	C9	O2	H8	118.8°	90.0°
C11	C9	C10	O7	15.7°	90.0°
C9	C11	H9	H10	120.0°	90.0°
C9	C11	H9	H11	120.0°	90.0°
C9	C11	H10	H11	120.0°	90.0°
C11	C9	C10	N2	164.9°	90.0°
O1	C1	O4	H1	118.8°	90.0°
O1	C1	O4	C5	59.0°	90.0°
O1	C1	C2	N1	65.9°	90.0°
O1	C1	C2	H2	175.3°	90.0°
O2	C3	C4	O3	63.0°	90.0°
O2	C3	C2	N1	55.7°	90.0°
O2	C3	C2	H2	62.8°	90.0°
C3	O2	C9	H8	41.7°	90.0°
O2	C3	C4	H12	54.1°	90.0°
O2	C9	C10	O7	136.7°	90.0°
C9	O2	C3	H7	5.6°	90.0°
O2	C9	C11	H9	56.9°	90.0°
O2	C9	C11	H10	176.9°	90.0°
O2	C9	C11	H11	63.1°	90.0°
O2	C9	C10	N2	43.8°	90.0°
O3	C4	C5	O4	171.7°	90.0°
O3	C4	C3	H7	57.3°	90.0°
O3	C4	C5	H13	53.6°	90.0°
O4	C1	C2	N1	172.3°	90.0°
O4	C1	C2	H2	53.6°	90.0°
C1	O4	C5	H13	61.1°	90.0°
O4	C1	O1	H19	56.7°	90.0°
O4	C5	C6	O5	91.2°	90.0°
C5	O4	C1	H1	177.9°	90.0°
O4	C5	C4	H12	68.6°	90.0°
O4	C5	C6	H14	148.7°	90.0°
O4	C5	C6	H15	28.8°	90.0°
O5	C6	C5	H13	25.5°	90.0°
O5	C6	H14	H15	119.8°	90.0°
O6	C7	N1	C2	20.4°	90.0°
O6	C7	N1	H3	159.6°	90.0°
O6	C7	C8	H4	0.0°	90.0°
O6	C7	C8	H5	120.0°	90.0°
O6	C7	C8	H6	120.0°	90.0°
O7	C10	C9	H8	101.8°	90.0°
O7	C10	N2	C12	0.8°	90.0°
O7	C10	N2	H20	122.3°	90.0°
C2	N1	C7	H3	180.0°	90.0°
N1	C2	C1	H1	53.2°	90.0°
N1	C2	C3	H7	63.0°	90.0°
C7	N1	C2	H2	18.6°	90.0°
N1	C7	C8	H4	179.8°	90.0°
N1	C7	C8	H5	59.8°	90.0°
N1	C7	C8	H6	60.2°	90.0°
H1	C1	C2	H2	65.6°	90.0°
H1	C1	O1	H19	62.0°	90.0°
H2	C2	N1	H3	161.4°	90.0°
H2	C2	C3	H7	178.4°	90.0°
H4	C8	H5	H6	120.0°	90.0°
H7	C3	C4	H12	174.4°	90.0°
H8	C9	C11	H9	62.6°	90.0°
H8	C9	C11	H10	57.4°	90.0°
H8	C9	C11	H11	177.4°	90.0°
H8	C9	C10	N2	77.6°	90.0°
H9	C11	H10	H11	120.0°	90.0°
H12	C4	C5	H13	173.3°	90.0°
H12	C4	O3	H17	64.0°	90.0°
H13	C5	C6	H14	94.6°	90.0°
H13	C5	C6	H15	145.5°	90.0°
H14	C6	O5	H16	59.9°	90.0°
H15	C6	O5	H16	60.0°	90.0°
H18	O7	C10	N2	0.6°	90.0°
C12	N2	H20	C10	130.0°	90.0°
N2	C12	C13	C14	120.2°	90.0°
N2	C12	C13	H21	120.9°	90.0°
N2	C12	C14	H21	117.3°	90.0°
N2	C12	C13	O8	18.4°	90.0°
N2	C12	C14	H22	180.0°	90.0°
N2	C12	C14	H23	60.0°	90.0°
N2	C12	C14	H24	60.0°	90.0°
N2	C12	C13	N3	161.1°	90.0°
H20	N2	C12	C13	46.5°	90.0°
H20	N2	C12	C14	76.1°	90.0°
H20	N2	C12	H21	166.9°	90.0°
C13	C12	C14	H21	118.6°	90.0°
C12	C13	O8	N3	179.5°	90.0°
C13	C12	C14	H22	55.9°	90.0°
C13	C12	C14	H23	175.9°	90.0°
C13	C12	C14	H24	64.1°	90.0°
C12	C13	N3	C16	175.5°	90.0°
C12	C13	N3	H25	4.5°	90.0°
C13	C12	N2	C10	75.1°	90.0°
C14	C12	C13	O8	101.9°	90.0°
C12	C14	H22	H23	120.0°	90.0°
C12	C14	H22	H24	120.0°	90.0°
C12	C14	H23	H24	120.0°	90.0°
C14	C12	N2	C10	162.4°	90.0°
C14	C12	C13	N3	78.6°	90.0°
H21	C12	C13	O8	139.3°	90.0°
H21	C12	C14	H22	62.6°	90.0°
H21	C12	C14	H23	57.3°	90.0°
H21	C12	C14	H24	177.4°	90.0°
H21	C12	N2	C10	45.3°	90.0°
H21	C12	C13	N3	40.2°	90.0°
O8	C13	N3	C16	4.0°	90.0°
O8	C13	N3	H25	176.0°	90.0°
H22	C14	H23	H24	120.0°	90.0°
N4	C15	O9	C16	179.1°	90.0°
N4	C15	C16	N3	145.7°	90.0°
C15	N4	H26	H27	180.0°	90.0°
N4	C15	C16	C17	96.7°	90.0°
N4	C15	C16	H28	23.1°	90.0°
O9	C15	C16	N3	35.1°	90.0°
O9	C15	N4	H26	0.0°	90.0°
O9	C15	N4	H27	180.0°	90.0°
O9	C15	C16	C17	82.5°	90.0°
O9	C15	C16	H28	157.7°	90.0°
C15	C16	N3	C17	117.9°	90.0°
C15	C16	N3	H28	122.1°	90.0°
C15	C16	N3	H25	77.7°	90.0°
C16	C15	N4	H26	179.1°	90.0°
C16	C15	N4	H27	0.8°	90.0°
C15	C16	C17	H28	120.0°	90.0°
C15	C16	C17	C19	174.4°	90.0°
C15	C16	C17	H29	53.9°	90.0°
C15	C16	C17	H30	65.0°	90.0°
C15	C16	N3	C13	102.2°	90.0°
C16	N3	H25	C13	180.0°	90.0°
N3	C16	C17	H28	120.6°	90.0°
N3	C16	C17	C19	66.1°	90.0°
N3	C16	C17	H29	173.3°	90.0°
N3	C16	C17	H30	54.4°	90.0°
H25	N3	C16	C17	40.2°	90.0°
H25	N3	C16	H28	160.1°	90.0°
C16	C17	C19	H29	120.5°	90.0°
C16	C17	C19	H30	120.5°	90.0°
C16	C17	H29	H30	118.3°	90.0°
C16	C17	C19	C18	166.2°	90.0°
C16	C17	C19	H31	74.5°	90.0°
C16	C17	C19	H32	46.9°	90.0°
C17	C16	N3	C13	139.9°	90.0°
H28	C16	C17	C19	54.5°	90.0°
H28	C16	C17	H29	66.1°	90.0°
H28	C16	C17	H30	175.0°	90.0°
H28	C16	N3	C13	19.9°	90.0°
C19	C17	H29	H30	118.4°	90.0°
C17	C19	C18	H31	119.3°	90.0°
C17	C19	C18	H32	119.3°	90.0°
C17	C19	C18	O10	46.9°	90.0°
C17	C19	H31	H32	122.1°	90.0°
C17	C19	C18	N6	131.9°	90.0°
H29	C17	C19	C18	45.7°	90.0°
H29	C17	C19	H31	165.0°	90.0°
H29	C17	C19	H32	73.6°	90.0°
H30	C17	C19	C18	73.3°	90.0°
H30	C17	C19	H31	46.0°	90.0°
H30	C17	C19	H32	167.5°	90.0°
C19	C18	O10	N6	178.7°	90.0°
C18	C19	H31	H32	122.1°	90.0°
C19	C18	N6	C26	169.3°	90.0°
C19	C18	N6	H46	10.7°	90.0°
O10	C18	C19	H31	72.3°	90.0°
O10	C18	C19	H32	166.2°	90.0°
O10	C18	N6	C26	9.4°	90.0°
O10	C18	N6	H46	170.5°	90.0°
H31	C19	C18	N6	108.8°	90.0°
H32	C19	C18	N6	12.7°	90.0°
O11	C20	C21	N5	179.5°	90.0°
O11	C20	C21	H33	0.0°	90.0°
O11	C20	C21	H34	120.0°	90.0°
O11	C20	C21	H35	120.0°	90.0°
O11	C20	N5	C22	175.2°	90.0°
O11	C20	N5	H36	4.8°	90.0°
C20	C21	H33	H34	120.0°	90.0°
C20	C21	H33	H35	120.0°	90.0°
C20	C21	H34	H35	120.0°	90.0°
C21	C20	N5	C22	4.3°	90.0°
C21	C20	N5	H36	175.7°	90.0°
N5	C20	C21	H33	179.5°	90.0°
N5	C20	C21	H34	59.5°	90.0°
N5	C20	C21	H35	60.5°	90.0°
C20	N5	C22	H36	180.0°	90.0°
C20	N5	C22	C23	173.4°	90.0°
C20	N5	C22	H37	66.4°	90.0°
C20	N5	C22	H38	53.2°	90.0°
H33	C21	H34	H35	120.0°	90.0°
N5	C22	C23	H37	120.2°	90.0°
N5	C22	C23	H38	120.2°	90.0°
N5	C22	H37	H38	119.4°	90.0°
N5	C22	C23	C24	56.4°	90.0°
N5	C22	C23	H39	64.2°	90.0°
N5	C22	C23	H40	177.0°	90.0°
H36	N5	C22	C23	6.6°	90.0°
H36	N5	C22	H37	113.6°	90.0°
H36	N5	C22	H38	126.8°	90.0°
C23	C22	H37	H38	119.4°	90.0°
C22	C23	C24	H39	120.6°	90.0°
C22	C23	C24	H40	120.6°	90.0°
C22	C23	H39	H40	118.2°	90.0°
C22	C23	C24	C25	176.1°	90.0°
C22	C23	C24	H41	63.9°	90.0°
C22	C23	C24	H42	56.0°	90.0°
H37	C22	C23	C24	176.6°	90.0°
H37	C22	C23	H39	56.0°	90.0°
H37	C22	C23	H40	62.8°	90.0°
H38	C22	C23	C24	63.8°	90.0°
H38	C22	C23	H39	175.6°	90.0°
H38	C22	C23	H40	56.8°	90.0°
C24	C23	H39	H40	118.2°	90.0°
C23	C24	C25	H41	120.1°	90.0°
C23	C24	C25	H42	120.0°	90.0°
C23	C24	H41	H42	119.9°	90.0°
C23	C24	C25	C26	161.2°	90.0°
C23	C24	C25	H43	78.3°	90.0°
C23	C24	C25	H44	40.8°	90.0°
H39	C23	C24	C25	55.5°	90.0°
H39	C23	C24	H41	175.5°	90.0°
H39	C23	C24	H42	64.6°	90.0°
H40	C23	C24	C25	63.4°	90.0°
H40	C23	C24	H41	56.7°	90.0°
H40	C23	C24	H42	176.6°	90.0°
C25	C24	H41	H42	119.8°	90.0°
C24	C25	C26	H43	120.5°	90.0°
C24	C25	C26	H44	120.5°	90.0°
C24	C25	H43	H44	118.5°	90.0°
C24	C25	C26	N6	176.5°	90.0°
C24	C25	C26	C27	60.5°	90.0°
C24	C25	C26	H45	57.9°	90.0°
H41	C24	C25	C26	41.2°	90.0°
H41	C24	C25	H43	161.7°	90.0°
H41	C24	C25	H44	79.3°	90.0°
H42	C24	C25	C26	78.7°	90.0°
H42	C24	C25	H43	41.7°	90.0°
H42	C24	C25	H44	160.8°	90.0°
C26	C25	H43	H44	118.5°	90.0°
C25	C26	N6	C27	123.9°	90.0°
C25	C26	N6	H45	118.4°	90.0°
C25	C26	C27	H45	118.7°	90.0°
C25	C26	N6	H46	3.3°	90.0°
C25	C26	C27	O12	98.7°	90.0°
C25	C26	N6	C18	176.7°	90.0°
C25	C26	C27	N7	81.3°	90.0°
H43	C25	C26	N6	63.0°	90.0°
H43	C25	C26	C27	60.0°	90.0°
H43	C25	C26	H45	178.4°	90.0°
H44	C25	C26	N6	56.0°	90.0°
H44	C25	C26	C27	179.1°	90.0°
H44	C25	C26	H45	62.6°	90.0°
N6	C26	C27	H45	118.3°	90.0°
C26	N6	H46	C18	180.0°	90.0°
N6	C26	C27	O12	138.3°	90.0°
N6	C26	C27	N7	41.8°	90.0°
C27	C26	N6	H46	127.3°	90.0°
C26	C27	O12	N7	180.0°	90.0°
C26	C27	N7	C28	178.0°	90.0°
C26	C27	N7	H47	2.0°	90.0°
C27	C26	N6	C18	52.7°	90.0°
H45	C26	N6	H46	115.1°	90.0°
H45	C26	C27	O12	20.0°	90.0°
H45	C26	N6	C18	64.9°	90.0°
H45	C26	C27	N7	160.0°	90.0°
O12	C27	N7	C28	2.0°	90.0°
O12	C27	N7	H47	178.0°	90.0°
C28	N7	H47	C27	180.0°	90.0°
N7	C28	C29	C30	123.6°	90.0°
N7	C28	C29	H48	118.8°	90.0°
N7	C28	C30	H48	119.4°	90.0°
N7	C28	C29	H49	180.0°	90.0°
N7	C28	C29	H50	60.0°	90.0°
N7	C28	C29	H51	60.0°	90.0°
N7	C28	C30	O13	30.4°	90.0°
N7	C28	C30	N8	150.8°	90.0°
H47	N7	C28	C29	20.7°	90.0°
H47	N7	C28	C30	101.5°	90.0°
H47	N7	C28	H48	139.2°	90.0°
C29	C28	C30	H48	117.6°	90.0°
C28	C29	H49	H50	120.0°	90.0°
C28	C29	H49	H51	120.0°	90.0°
C28	C29	H50	H51	120.0°	90.0°
C29	C28	C30	O13	92.6°	90.0°
C29	C28	N7	C27	159.3°	90.0°
C29	C28	C30	N8	86.2°	90.0°
C30	C28	C29	H49	56.4°	90.0°
C30	C28	C29	H50	63.6°	90.0°
C30	C28	C29	H51	176.4°	90.0°
C28	C30	O13	N8	178.7°	90.0°
C28	C30	N8	H52	178.8°	90.0°
C28	C30	N8	H53	1.2°	90.0°
C30	C28	N7	C27	78.5°	90.0°
H48	C28	C29	H49	61.2°	90.0°
H48	C28	C29	H50	178.8°	90.0°
H48	C28	C29	H51	58.8°	90.0°
H48	C28	C30	O13	149.8°	90.0°
H48	C28	N7	C27	40.8°	90.0°
H48	C28	C30	N8	31.4°	90.0°
H49	C29	H50	H51	120.0°	90.0°
O13	C30	N8	H52	0.0°	90.0°
O13	C30	N8	H53	180.0°	90.0°
H52	N8	H53	C30	180.0°	90.0°

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