UFU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	0.00Å	1.26Å
C1	N1	sing	0.00Å	1.44Å
C1	N2	sing	0.00Å	1.41Å
N1	C3	sing	0.00Å	1.44Å
N2	C4	sing	0.00Å	1.41Å
C3	C4	sing	0.00Å	1.64Å
C3	C2	sing	0.00Å	1.60Å
C4	C5	sing	0.00Å	1.57Å
C2	S1	sing	0.00Å	1.62Å
C5	S1	sing	0.00Å	1.81Å
C5	C6	sing	0.00Å	1.55Å
C6	C7	sing	0.00Å	1.53Å
C7	C8	sing	0.00Å	1.53Å
C8	C9	sing	0.00Å	1.53Å
C9	C10	sing	0.00Å	1.52Å
O2	C10	doub	0.00Å	1.22Å
C10	N3	sing	0.00Å	1.37Å
O3	C13	doub	0.00Å	1.23Å
N3	C11	sing	0.00Å	1.45Å
C25	C23	doub	0.00Å	1.37Å
C25	C27	sing	0.00Å	1.41Å
C23	C22	sing	0.00Å	1.42Å
C11	C12	sing	0.00Å	1.53Å
C13	N4	sing	0.00Å	1.38Å
C13	C14	sing	0.00Å	1.51Å
C12	N4	sing	0.00Å	1.46Å
C27	C26	doub	0.00Å	1.39Å
C22	C21	doub	0.00Å	1.42Å
C22	C24	sing	0.00Å	1.44Å
C21	N6	sing	0.00Å	1.31Å
C15	C14	doub	0.00Å	1.40Å	Aromatic
C15	C17	sing	0.00Å	1.40Å	Aromatic
C14	C16	sing	0.00Å	1.40Å	Aromatic
C26	C24	sing	0.00Å	1.45Å
C26	C40	sing	0.00Å	1.54Å
C24	O5	doub	0.00Å	1.29Å
C17	N6	sing	0.00Å	1.41Å
C17	C19	doub	0.00Å	1.41Å	Aromatic
N6	CO1	doub	0.00Å	1.91Å
C16	C18	doub	0.00Å	1.39Å	Aromatic
C43	C40	sing	0.00Å	1.54Å
C42	C40	sing	0.00Å	1.55Å
C40	C41	sing	0.00Å	1.55Å
C19	C18	sing	0.00Å	1.40Å	Aromatic
C19	N5	sing	0.00Å	1.41Å
O5	CO1	sing	0.00Å	1.91Å
CO1	N5	sing	0.00Å	1.91Å
CO1	O4	sing	0.00Å	1.91Å
N5	C20	doub	0.00Å	1.31Å
C20	C28	sing	0.00Å	1.42Å
O4	C30	sing	0.00Å	1.30Å
C37	C36	sing	0.00Å	1.55Å
C30	C28	doub	0.00Å	1.44Å	Aromatic
C30	C32	sing	0.00Å	1.45Å	Aromatic
C28	C29	sing	0.00Å	1.42Å	Aromatic
C38	C36	sing	0.00Å	1.55Å
C32	C36	sing	0.00Å	1.54Å
C32	C33	doub	0.00Å	1.39Å	Aromatic
C36	C39	sing	0.00Å	1.54Å
C29	C31	doub	0.00Å	1.37Å	Aromatic
C33	C31	sing	0.00Å	1.41Å	Aromatic
C2	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	1.10Å
C5	H5	sing	0.00Å	1.10Å
C6	H6	sing	0.00Å	1.10Å
C6	H7	sing	0.00Å	1.10Å
C7	H8	sing	0.00Å	1.10Å
C7	H9	sing	0.00Å	1.10Å
C8	H10	sing	0.00Å	1.10Å
C8	H11	sing	0.00Å	1.10Å
C9	H12	sing	0.00Å	1.10Å
C9	H13	sing	0.00Å	1.10Å
C11	H14	sing	0.00Å	1.10Å
C11	H15	sing	0.00Å	1.10Å
C12	H16	sing	0.00Å	1.10Å
C12	H17	sing	0.00Å	1.10Å
N1	H18	sing	0.00Å	1.00Å
N2	H19	sing	0.00Å	1.00Å
N3	H20	sing	0.00Å	1.00Å
N4	H21	sing	0.00Å	1.00Å
C15	H22	sing	0.00Å	1.08Å
C16	H23	sing	0.00Å	1.08Å
C18	H24	sing	0.00Å	1.08Å
C20	H25	sing	0.00Å	1.08Å
C21	H26	sing	0.00Å	1.08Å
C23	H27	sing	0.00Å	1.08Å
C25	H28	sing	0.00Å	1.08Å
C27	H29	sing	0.00Å	1.08Å
C29	H30	sing	0.00Å	1.08Å
C31	H31	sing	0.00Å	1.08Å
C33	H32	sing	0.00Å	1.08Å
C37	H33	sing	0.00Å	1.10Å
C37	H34	sing	0.00Å	1.10Å
C37	H35	sing	0.00Å	1.10Å
C38	H36	sing	0.00Å	1.10Å
C38	H37	sing	0.00Å	1.10Å
C38	H38	sing	0.00Å	1.10Å
C39	H39	sing	0.00Å	1.10Å
C39	H40	sing	0.00Å	1.10Å
C39	H41	sing	0.00Å	1.10Å
C41	H42	sing	0.00Å	1.10Å
C41	H43	sing	0.00Å	1.10Å
C41	H44	sing	0.00Å	1.10Å
C42	H45	sing	0.00Å	1.10Å
C42	H46	sing	0.00Å	1.10Å
C42	H47	sing	0.00Å	1.10Å
C43	H48	sing	0.00Å	1.10Å
C43	H49	sing	0.00Å	1.10Å
C43	H50	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	122.1°	90.0°
O1	C1	N2	128.1°	90.0°
N1	C1	N2	109.7°	90.0°
C1	N1	C3	110.3°	90.0°
C1	N1	H18	124.8°	90.0°
C1	N2	C4	111.0°	90.0°
C1	N2	H19	124.5°	90.0°
N1	C3	C4	102.8°	90.0°
N1	C3	C2	111.7°	90.0°
N1	C3	H3	114.0°	90.0°
C3	N1	H18	124.8°	90.0°
N2	C4	C3	105.2°	90.0°
N2	C4	C5	120.5°	90.0°
N2	C4	H4	108.8°	90.0°
C4	N2	H19	124.5°	90.0°
C4	C3	C2	105.3°	90.0°
C3	C4	C5	108.7°	90.0°
C4	C3	H3	110.8°	90.0°
C3	C4	H4	106.0°	90.0°
C3	C2	S1	109.0°	90.0°
C3	C2	H1	109.6°	90.0°
C3	C2	H2	109.6°	90.0°
C2	C3	H3	111.4°	90.0°
C4	C5	S1	98.8°	90.0°
C4	C5	C6	113.3°	90.0°
C5	C4	H4	106.8°	90.0°
C4	C5	H5	111.9°	90.0°
C2	S1	C5	99.4°	90.0°
S1	C2	H1	109.6°	90.0°
S1	C2	H2	109.6°	90.0°
S1	C5	C6	111.0°	90.0°
S1	C5	H5	108.8°	90.0°
C5	C6	C7	111.6°	90.0°
C6	C5	H5	112.2°	90.0°
C5	C6	H6	109.0°	90.0°
C5	C6	H7	108.9°	90.0°
C6	C7	C8	110.8°	90.0°
C7	C6	H6	108.9°	90.0°
C7	C6	H7	109.0°	90.0°
C6	C7	H8	109.1°	90.0°
C6	C7	H9	109.1°	90.0°
C7	C8	C9	111.1°	90.0°
C8	C7	H8	109.1°	90.0°
C8	C7	H9	109.2°	90.0°
C7	C8	H10	109.1°	90.0°
C7	C8	H11	109.1°	90.0°
C8	C9	C10	111.5°	90.0°
C9	C8	H10	109.0°	90.0°
C9	C8	H11	109.1°	90.0°
C8	C9	H12	109.0°	90.0°
C8	C9	H13	109.0°	90.0°
C9	C10	O2	121.1°	90.0°
C9	C10	N3	116.5°	90.0°
C10	C9	H12	109.0°	90.0°
C10	C9	H13	109.0°	90.0°
O2	C10	N3	122.4°	90.0°
C10	N3	C11	122.1°	90.0°
C10	N3	H20	119.0°	90.0°
O3	C13	N4	122.5°	90.0°
O3	C13	C14	123.4°	90.0°
N3	C11	C12	112.7°	90.0°
N3	C11	H14	108.7°	90.0°
N3	C11	H15	108.6°	90.0°
C11	N3	H20	118.9°	90.0°
C23	C25	C27	119.0°	90.0°
C25	C23	C22	120.7°	90.0°
C25	C23	H27	119.6°	90.0°
C23	C25	H28	120.5°	90.0°
C25	C27	C26	123.7°	90.0°
C27	C25	H28	120.5°	90.0°
C25	C27	H29	118.2°	90.0°
C23	C22	C21	116.7°	90.0°
C23	C22	C24	120.1°	90.0°
C22	C23	H27	119.6°	90.0°
C11	C12	N4	111.7°	90.0°
C12	C11	H14	108.7°	90.0°
C12	C11	H15	108.7°	90.0°
C11	C12	H16	108.9°	90.0°
C11	C12	H17	108.9°	90.0°
N4	C13	C14	114.1°	90.0°
C13	N4	C12	120.3°	90.0°
C13	N4	H21	119.9°	90.0°
C13	C14	C15	122.3°	90.0°
C13	C14	C16	117.9°	90.0°
N4	C12	H16	108.9°	90.0°
N4	C12	H17	108.9°	90.0°
C12	N4	H21	119.8°	90.0°
C27	C26	C24	117.6°	90.0°
C27	C26	C40	121.3°	90.0°
C26	C27	H29	118.1°	90.0°
C21	C22	C24	123.0°	90.0°
C22	C21	N6	126.8°	90.0°
C22	C21	H26	116.6°	90.0°
C22	C24	C26	118.3°	90.0°
C22	C24	O5	122.3°	90.0°
C21	N6	C17	122.9°	90.0°
C21	N6	CO1	123.6°	90.0°
N6	C21	H26	116.6°	90.0°
C14	C15	C17	120.1°	90.0°
C15	C14	C16	119.4°	90.0°
C14	C15	H22	120.0°	90.0°
C15	C17	N6	126.2°	90.0°
C15	C17	C19	119.6°	90.0°
C17	C15	H22	120.0°	90.0°
C14	C16	C18	120.3°	90.0°
C14	C16	H23	119.8°	90.0°
C24	C26	C40	120.3°	90.0°
C26	C24	O5	119.4°	90.0°
C26	C40	C43	112.0°	90.0°
C26	C40	C42	109.9°	90.0°
C26	C40	C41	109.9°	90.0°
C24	O5	CO1	127.9°	90.0°
N6	C17	C19	114.0°	90.0°
C17	N6	CO1	113.0°	90.0°
C17	C19	C18	119.5°	90.0°
C17	C19	N5	114.6°	90.0°
N6	CO1	O5	94.6°	90.0°
N6	CO1	N5	84.9°	90.0°
N6	CO1	O4	177.3°	90.0°
C16	C18	C19	120.2°	90.0°
C18	C16	H23	119.9°	90.0°
C16	C18	H24	119.9°	90.0°
C43	C40	C42	107.5°	90.0°
C43	C40	C41	106.9°	90.0°
C40	C43	H48	109.5°	90.0°
C40	C43	H49	109.5°	90.0°
C40	C43	H50	109.5°	90.0°
C42	C40	C41	110.5°	90.0°
C40	C42	H45	109.5°	90.0°
C40	C42	H46	109.4°	90.0°
C40	C42	H47	109.5°	90.0°
C40	C41	H42	109.5°	90.0°
C40	C41	H43	109.5°	90.0°
C40	C41	H44	109.5°	90.0°
C18	C19	N5	125.5°	90.0°
C19	C18	H24	119.9°	90.0°
C19	N5	CO1	113.1°	90.0°
C19	N5	C20	122.1°	90.0°
O5	CO1	N5	176.2°	90.0°
O5	CO1	O4	86.6°	90.0°
N5	CO1	O4	93.8°	90.0°
CO1	N5	C20	124.7°	90.0°
CO1	O4	C30	128.7°	90.0°
N5	C20	C28	127.2°	90.0°
N5	C20	H25	116.4°	90.0°
C20	C28	C30	122.4°	90.0°
C20	C28	C29	116.9°	90.0°
C28	C20	H25	116.4°	90.0°
O4	C30	C28	122.6°	90.0°
O4	C30	C32	119.4°	90.0°
C37	C36	C38	110.5°	90.0°
C37	C36	C32	109.7°	90.0°
C37	C36	C39	107.5°	90.0°
C36	C37	H33	109.5°	90.0°
C36	C37	H34	109.4°	90.0°
C36	C37	H35	109.4°	90.0°
C28	C30	C32	118.0°	90.0°
C30	C28	C29	120.6°	90.0°
C30	C32	C36	120.6°	90.0°
C30	C32	C33	117.9°	90.0°
C28	C29	C31	120.6°	90.0°
C28	C29	H30	119.7°	90.0°
C38	C36	C32	109.7°	90.0°
C38	C36	C39	107.3°	90.0°
C36	C38	H36	109.5°	90.0°
C36	C38	H37	109.5°	90.0°
C36	C38	H38	109.5°	90.0°
C36	C32	C33	121.5°	90.0°
C32	C36	C39	112.1°	90.0°
C32	C33	C31	123.9°	90.0°
C32	C33	H32	118.0°	90.0°
C36	C39	H39	109.5°	90.0°
C36	C39	H40	109.5°	90.0°
C36	C39	H41	109.5°	90.0°
C29	C31	C33	118.9°	90.0°
C31	C29	H30	119.7°	90.0°
C29	C31	H31	120.6°	90.0°
C33	C31	H31	120.5°	90.0°
C31	C33	H32	118.0°	90.0°
H1	C2	H2	109.5°	90.0°
H6	C6	H7	109.4°	90.0°
H8	C7	H9	109.5°	90.0°
H10	C8	H11	109.5°	90.0°
H12	C9	H13	109.5°	90.0°
H14	C11	H15	109.5°	90.0°
H16	C12	H17	109.5°	90.0°
H33	C37	H34	109.5°	90.0°
H33	C37	H35	109.5°	90.0°
H34	C37	H35	109.5°	90.0°
H36	C38	H37	109.5°	90.0°
H36	C38	H38	109.4°	90.0°
H37	C38	H38	109.5°	90.0°
H39	C39	H40	109.4°	90.0°
H39	C39	H41	109.5°	90.0°
H40	C39	H41	109.5°	90.0°
H42	C41	H43	109.5°	90.0°
H42	C41	H44	109.4°	90.0°
H43	C41	H44	109.5°	90.0°
H45	C42	H46	109.5°	90.0°
H45	C42	H47	109.5°	90.0°
H46	C42	H47	109.5°	90.0°
H48	C43	H49	109.5°	90.0°
H48	C43	H50	109.5°	90.0°
H49	C43	H50	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	N2	176.3°	90.0°
O1	C1	N1	C3	167.5°	90.0°
O1	C1	N2	C4	172.4°	90.0°
O1	C1	N1	H18	12.5°	90.0°
O1	C1	N2	H19	7.6°	90.0°
C1	N1	C3	H18	180.0°	90.0°
N1	C1	N2	C4	3.6°	90.0°
C1	N1	C3	C4	9.5°	90.0°
C1	N1	C3	C2	103.0°	90.0°
C1	N1	C3	H3	129.5°	90.0°
N1	C1	N2	H19	176.4°	90.0°
N2	C1	N1	C3	8.8°	90.0°
C1	N2	C4	H19	180.0°	90.0°
C1	N2	C4	C3	2.3°	90.0°
C1	N2	C4	C5	125.3°	90.0°
C1	N2	C4	H4	111.0°	90.0°
N2	C1	N1	H18	171.2°	90.0°
N1	C3	C4	N2	7.2°	90.0°
N1	C3	C4	C2	117.2°	90.0°
N1	C3	C4	H3	122.2°	90.0°
N1	C3	C2	H3	128.8°	90.0°
N1	C3	C4	C5	137.5°	90.0°
N1	C3	C2	S1	101.0°	90.0°
N1	C3	C2	H1	139.1°	90.0°
N1	C3	C2	H2	19.0°	90.0°
N1	C3	C4	H4	108.0°	90.0°
N2	C4	C3	C5	130.4°	90.0°
N2	C4	C3	H4	115.2°	90.0°
N2	C4	C3	C2	110.0°	90.0°
N2	C4	C5	H4	124.6°	90.0°
N2	C4	C5	S1	83.5°	90.0°
N2	C4	C5	C6	34.0°	90.0°
N2	C4	C3	H3	129.4°	90.0°
N2	C4	C5	H5	162.1°	90.0°
C4	C3	C2	H3	120.3°	90.0°
C3	C4	C5	H4	114.0°	90.0°
C4	C3	C2	S1	10.0°	90.0°
C3	C4	C5	S1	37.9°	90.0°
C3	C4	C5	C6	155.4°	90.0°
C4	C3	C2	H1	109.9°	90.0°
C4	C3	C2	H2	129.9°	90.0°
C3	C4	C5	H5	76.5°	90.0°
C4	C3	N1	H18	170.6°	90.0°
C3	C4	N2	H19	177.7°	90.0°
C2	C3	C4	C5	20.4°	90.0°
C3	C2	S1	H1	119.9°	90.0°
C3	C2	S1	H2	119.9°	90.0°
C3	C2	S1	C5	31.4°	90.0°
C3	C2	H1	H2	120.2°	90.0°
C2	C3	C4	H4	134.9°	90.0°
C2	C3	N1	H18	76.9°	90.0°
C4	C5	S1	C2	41.6°	90.0°
C4	C5	S1	C6	119.3°	90.0°
C4	C5	S1	H5	116.8°	90.0°
C4	C5	C6	H5	127.9°	90.0°
C4	C5	C6	C7	168.5°	90.0°
C5	C4	C3	H3	100.3°	90.0°
C4	C5	C6	H6	71.2°	90.0°
C4	C5	C6	H7	48.1°	90.0°
C5	C4	N2	H19	54.7°	90.0°
C2	S1	C5	C6	160.9°	90.0°
S1	C2	H1	H2	120.2°	90.0°
S1	C2	C3	H3	130.2°	90.0°
C2	S1	C5	H5	75.1°	90.0°
S1	C5	C6	H5	122.0°	90.0°
S1	C5	C6	C7	81.4°	90.0°
C5	S1	C2	H1	88.6°	90.0°
C5	S1	C2	H2	151.3°	90.0°
S1	C5	C4	H4	151.9°	90.0°
S1	C5	C6	H6	38.9°	90.0°
S1	C5	C6	H7	158.3°	90.0°
C5	C6	C7	H6	120.3°	90.0°
C5	C6	C7	H7	120.3°	90.0°
C5	C6	C7	C8	171.8°	90.0°
C6	C5	C4	H4	90.6°	90.0°
C5	C6	H6	H7	119.0°	90.0°
C5	C6	C7	H8	68.0°	90.0°
C5	C6	C7	H9	51.6°	90.0°
C6	C7	C8	H8	120.2°	90.0°
C6	C7	C8	H9	120.2°	90.0°
C6	C7	C8	C9	179.6°	90.0°
C7	C6	C5	H5	40.6°	90.0°
C7	C6	H6	H7	119.0°	90.0°
C6	C7	H8	H9	119.4°	90.0°
C6	C7	C8	H10	59.4°	90.0°
C6	C7	C8	H11	60.1°	90.0°
C7	C8	C9	H10	120.3°	90.0°
C7	C8	C9	H11	120.3°	90.0°
C7	C8	C9	C10	60.9°	90.0°
C8	C7	C6	H6	51.4°	90.0°
C8	C7	C6	H7	67.9°	90.0°
C8	C7	H8	H9	119.4°	90.0°
C7	C8	H10	H11	119.2°	90.0°
C7	C8	C9	H12	59.4°	90.0°
C7	C8	C9	H13	178.8°	90.0°
C8	C9	C10	H12	120.3°	90.0°
C8	C9	C10	H13	120.3°	90.0°
C8	C9	C10	O2	31.8°	90.0°
C8	C9	C10	N3	148.2°	90.0°
C9	C8	C7	H8	60.2°	90.0°
C9	C8	C7	H9	59.4°	90.0°
C9	C8	H10	H11	119.2°	90.0°
C8	C9	H12	H13	119.1°	90.0°
C9	C10	O2	N3	179.9°	90.0°
C9	C10	N3	C11	179.5°	90.0°
C10	C9	C8	H10	178.9°	90.0°
C10	C9	C8	H11	59.4°	90.0°
C10	C9	H12	H13	119.1°	90.0°
C9	C10	N3	H20	0.5°	90.0°
O2	C10	N3	C11	0.4°	90.0°
O2	C10	C9	H12	152.1°	90.0°
O2	C10	C9	H13	88.5°	90.0°
O2	C10	N3	H20	179.6°	90.0°
C10	N3	C11	H20	180.0°	90.0°
C10	N3	C11	C12	118.2°	90.0°
N3	C10	C9	H12	27.9°	90.0°
N3	C10	C9	H13	91.5°	90.0°
C10	N3	C11	H14	121.3°	90.0°
C10	N3	C11	H15	2.3°	90.0°
O3	C13	N4	C14	179.1°	90.0°
O3	C13	N4	C12	0.5°	90.0°
O3	C13	C14	C15	68.2°	90.0°
O3	C13	C14	C16	103.9°	90.0°
O3	C13	N4	H21	179.5°	90.0°
N3	C11	C12	H14	120.5°	90.0°
N3	C11	C12	H15	120.5°	90.0°
N3	C11	C12	N4	178.8°	90.0°
N3	C11	H14	H15	118.5°	90.0°
N3	C11	C12	H16	58.4°	90.0°
N3	C11	C12	H17	60.9°	90.0°
C23	C25	C27	H28	180.0°	90.0°
C25	C23	C22	H27	180.0°	90.0°
C23	C25	C27	C26	3.4°	90.0°
C25	C23	C22	C21	169.9°	90.0°
C25	C23	C22	C24	4.7°	90.0°
C23	C25	C27	H29	176.6°	90.0°
C27	C25	C23	C22	3.4°	90.0°
C25	C27	C26	H29	180.0°	90.0°
C25	C27	C26	C24	8.4°	90.0°
C25	C27	C26	C40	161.1°	90.0°
C27	C25	C23	H27	176.6°	90.0°
C23	C22	C21	C24	174.4°	90.0°
C23	C22	C21	N6	172.1°	90.0°
C23	C22	C24	C26	0.5°	90.0°
C23	C22	C24	O5	179.1°	90.0°
C23	C22	C21	H26	7.9°	90.0°
C22	C23	C25	H28	176.6°	90.0°
C11	C12	N4	C13	78.2°	90.0°
C11	C12	N4	H16	120.4°	90.0°
C11	C12	N4	H17	120.3°	90.0°
C12	C11	H14	H15	118.5°	90.0°
C11	C12	H16	H17	119.0°	90.0°
C12	C11	N3	H20	61.8°	90.0°
C11	C12	N4	H21	101.8°	90.0°
C13	N4	C12	H21	180.0°	90.0°
N4	C13	C14	C15	112.7°	90.0°
N4	C13	C14	C16	75.2°	90.0°
C13	N4	C12	H16	42.1°	90.0°
C13	N4	C12	H17	161.4°	90.0°
C14	C13	N4	C12	179.6°	90.0°
C13	C14	C15	C16	172.0°	90.0°
C13	C14	C15	C17	179.2°	90.0°
C13	C14	C16	C18	176.2°	90.0°
C14	C13	N4	H21	0.4°	90.0°
C13	C14	C15	H22	0.8°	90.0°
C13	C14	C16	H23	3.8°	90.0°
N4	C12	C11	H14	60.7°	90.0°
N4	C12	C11	H15	58.3°	90.0°
N4	C12	H16	H17	119.0°	90.0°
C27	C26	C24	C22	6.7°	90.0°
C27	C26	C24	C40	169.6°	90.0°
C27	C26	C24	O5	174.7°	90.0°
C27	C26	C40	C43	15.0°	90.0°
C27	C26	C40	C42	104.4°	90.0°
C27	C26	C40	C41	133.7°	90.0°
C26	C27	C25	H28	176.7°	90.0°
C22	C21	N6	H26	180.0°	90.0°
C21	C22	C24	C26	174.7°	90.0°
C21	C22	C24	O5	6.7°	90.0°
C22	C21	N6	C17	166.8°	90.0°
C22	C21	N6	CO1	4.7°	90.0°
C21	C22	C23	H27	10.1°	90.0°
C24	C22	C21	N6	13.5°	90.0°
C22	C24	C26	O5	178.6°	90.0°
C22	C24	C26	C40	163.0°	90.0°
C22	C24	O5	CO1	7.6°	90.0°
C24	C22	C21	H26	166.5°	90.0°
C24	C22	C23	H27	175.3°	90.0°
C21	N6	C17	C15	18.7°	90.0°
C21	N6	C17	CO1	172.3°	90.0°
C21	N6	C17	C19	166.5°	90.0°
C21	N6	CO1	O5	6.1°	90.0°
C21	N6	CO1	N5	170.1°	90.0°
C21	N6	CO1	O4	110.3°	90.0°
C14	C15	C17	H22	180.0°	90.0°
C14	C15	C17	N6	175.7°	90.0°
C14	C15	C17	C19	1.2°	90.0°
C15	C14	C16	C18	11.5°	90.0°
C15	C14	C16	H23	168.5°	90.0°
C17	C15	C14	C16	7.2°	90.0°
C15	C17	N6	C19	174.7°	90.0°
C15	C17	N6	CO1	168.9°	90.0°
C15	C17	C19	C18	5.5°	90.0°
C15	C17	C19	N5	167.6°	90.0°
C14	C16	C18	H23	180.0°	90.0°
C14	C16	C18	C19	7.3°	90.0°
C16	C14	C15	H22	172.8°	90.0°
C14	C16	C18	H24	172.7°	90.0°
C24	C26	C40	C43	175.7°	90.0°
C24	C26	C40	C42	64.8°	90.0°
C24	C26	C40	C41	57.0°	90.0°
C26	C24	O5	CO1	170.9°	90.0°
C24	C26	C27	H29	171.6°	90.0°
C40	C26	C24	O5	15.7°	90.0°
C26	C40	C43	C42	120.9°	90.0°
C26	C40	C43	C41	120.5°	90.0°
C26	C40	C42	C41	121.5°	90.0°
C40	C26	C27	H29	18.9°	90.0°
C26	C40	C41	H42	180.0°	90.0°
C26	C40	C41	H43	60.0°	90.0°
C26	C40	C41	H44	60.0°	90.0°
C26	C40	C42	H45	180.0°	90.0°
C26	C40	C42	H46	60.0°	90.0°
C26	C40	C42	H47	60.0°	90.0°
C26	C40	C43	H48	180.0°	90.0°
C26	C40	C43	H49	60.0°	90.0°
C26	C40	C43	H50	60.0°	90.0°
C24	O5	CO1	N6	12.4°	90.0°
C24	O5	CO1	N5	69.8°	90.0°
C24	O5	CO1	O4	165.2°	90.0°
N6	C17	C19	C18	179.4°	90.0°
N6	C17	C19	N5	7.5°	90.0°
C17	N6	CO1	O5	178.4°	90.0°
C17	N6	CO1	N5	2.1°	90.0°
C17	N6	CO1	O4	62.0°	90.0°
N6	C17	C15	H22	4.3°	90.0°
C17	N6	C21	H26	13.2°	90.0°
C19	C17	N6	CO1	5.8°	90.0°
C17	C19	C18	C16	1.3°	90.0°
C17	C19	C18	N5	172.3°	90.0°
C17	C19	N5	CO1	5.7°	90.0°
C17	C19	N5	C20	170.4°	90.0°
C19	C17	C15	H22	178.8°	90.0°
C17	C19	C18	H24	178.7°	90.0°
N6	CO1	N5	C19	1.9°	90.0°
N6	CO1	O5	N5	82.3°	90.0°
N6	CO1	O5	O4	177.6°	90.0°
N6	CO1	N5	O4	177.7°	90.0°
N6	CO1	N5	C20	174.0°	90.0°
N6	CO1	O4	C30	65.5°	90.0°
CO1	N6	C21	H26	175.3°	90.0°
C16	C18	C19	H24	180.0°	90.0°
C16	C18	C19	N5	171.0°	90.0°
C43	C40	C42	C41	116.3°	90.0°
C43	C40	C41	H42	58.2°	90.0°
C43	C40	C41	H43	61.8°	90.0°
C43	C40	C41	H44	178.2°	90.0°
C43	C40	C42	H45	57.8°	90.0°
C43	C40	C42	H46	177.8°	90.0°
C43	C40	C42	H47	62.2°	90.0°
C40	C43	H48	H49	120.0°	90.0°
C40	C43	H48	H50	120.0°	90.0°
C40	C43	H49	H50	120.0°	90.0°
C42	C40	C41	H42	58.5°	90.0°
C42	C40	C41	H43	178.5°	90.0°
C42	C40	C41	H44	61.5°	90.0°
C40	C42	H45	H46	120.0°	90.0°
C40	C42	H45	H47	120.0°	90.0°
C40	C42	H46	H47	120.0°	90.0°
C42	C40	C43	H48	59.1°	90.0°
C42	C40	C43	H49	60.9°	90.0°
C42	C40	C43	H50	179.2°	90.0°
C40	C41	H42	H43	120.0°	90.0°
C40	C41	H42	H44	120.0°	90.0°
C40	C41	H43	H44	120.0°	90.0°
C41	C40	C42	H45	58.5°	90.0°
C41	C40	C42	H46	61.5°	90.0°
C41	C40	C42	H47	178.5°	90.0°
C41	C40	C43	H48	59.5°	90.0°
C41	C40	C43	H49	179.5°	90.0°
C41	C40	C43	H50	60.5°	90.0°
C18	C19	N5	CO1	178.3°	90.0°
C18	C19	N5	C20	2.2°	90.0°
C19	C18	C16	H23	172.8°	90.0°
C19	N5	CO1	O5	80.7°	90.0°
C19	N5	CO1	C20	175.9°	90.0°
C19	N5	CO1	O4	175.8°	90.0°
C19	N5	C20	C28	175.9°	90.0°
N5	C19	C18	H24	8.9°	90.0°
C19	N5	C20	H25	4.1°	90.0°
O5	CO1	N5	O4	95.1°	90.0°
O5	CO1	N5	C20	103.4°	90.0°
O5	CO1	O4	C30	177.9°	90.0°
CO1	N5	C20	C28	8.5°	90.0°
N5	CO1	O4	C30	5.8°	90.0°
CO1	N5	C20	H25	171.5°	90.0°
O4	CO1	N5	C20	8.3°	90.0°
CO1	O4	C30	C28	2.7°	90.0°
CO1	O4	C30	C32	177.5°	90.0°
N5	C20	C28	H25	180.0°	90.0°
N5	C20	C28	C30	3.2°	90.0°
N5	C20	C28	C29	176.8°	90.0°
C20	C28	C30	O4	0.0°	90.0°
C20	C28	C30	C29	180.0°	90.0°
C20	C28	C30	C32	179.8°	90.0°
C20	C28	C29	C31	180.0°	90.0°
C20	C28	C29	H30	0.0°	90.0°
O4	C30	C28	C32	179.8°	90.0°
O4	C30	C28	C29	180.0°	90.0°
O4	C30	C32	C36	0.2°	90.0°
O4	C30	C32	C33	179.7°	90.0°
C37	C36	C32	C30	70.2°	90.0°
C37	C36	C38	C32	121.1°	90.0°
C37	C36	C38	C39	116.9°	90.0°
C37	C36	C32	C39	119.3°	90.0°
C37	C36	C32	C33	110.4°	90.0°
C36	C37	H33	H34	120.0°	90.0°
C36	C37	H33	H35	120.0°	90.0°
C36	C37	H34	H35	119.9°	90.0°
C37	C36	C38	H36	180.0°	90.0°
C37	C36	C38	H37	60.0°	90.0°
C37	C36	C38	H38	60.0°	90.0°
C37	C36	C39	H39	180.0°	90.0°
C37	C36	C39	H40	60.0°	90.0°
C37	C36	C39	H41	60.0°	90.0°
C28	C30	C32	C36	180.0°	90.0°
C28	C30	C32	C33	0.5°	90.0°
C30	C28	C29	C31	0.0°	90.0°
C30	C28	C20	H25	176.8°	90.0°
C30	C28	C29	H30	180.0°	90.0°
C32	C30	C28	C29	0.2°	90.0°
C30	C32	C36	C38	51.4°	90.0°
C30	C32	C36	C33	179.5°	90.0°
C30	C32	C36	C39	170.5°	90.0°
C30	C32	C33	C31	0.5°	90.0°
C30	C32	C33	H32	179.5°	90.0°
C28	C29	C31	H30	180.0°	90.0°
C28	C29	C31	C33	0.1°	90.0°
C29	C28	C20	H25	3.2°	90.0°
C28	C29	C31	H31	179.9°	90.0°
C38	C36	C32	C39	119.1°	90.0°
C38	C36	C32	C33	128.1°	90.0°
C38	C36	C37	H33	180.0°	90.0°
C38	C36	C37	H34	60.0°	90.0°
C38	C36	C37	H35	60.0°	90.0°
C36	C38	H36	H37	120.0°	90.0°
C36	C38	H36	H38	120.0°	90.0°
C36	C38	H37	H38	120.0°	90.0°
C38	C36	C39	H39	61.2°	90.0°
C38	C36	C39	H40	178.9°	90.0°
C38	C36	C39	H41	58.8°	90.0°
C36	C32	C33	C31	180.0°	90.0°
C36	C32	C33	H32	0.0°	90.0°
C32	C36	C37	H33	58.9°	90.0°
C32	C36	C37	H34	61.1°	90.0°
C32	C36	C37	H35	178.9°	90.0°
C32	C36	C38	H36	58.9°	90.0°
C32	C36	C38	H37	178.9°	90.0°
C32	C36	C38	H38	61.1°	90.0°
C32	C36	C39	H39	59.3°	90.0°
C32	C36	C39	H40	60.6°	90.0°
C32	C36	C39	H41	179.4°	90.0°
C33	C32	C36	C39	9.0°	90.0°
C32	C33	C31	C29	0.3°	90.0°
C32	C33	C31	H32	180.0°	90.0°
C32	C33	C31	H31	179.7°	90.0°
C39	C36	C37	H33	63.2°	90.0°
C39	C36	C37	H34	176.8°	90.0°
C39	C36	C37	H35	56.8°	90.0°
C39	C36	C38	H36	63.1°	90.0°
C39	C36	C38	H37	56.9°	90.0°
C39	C36	C38	H38	176.9°	90.0°
C36	C39	H39	H40	120.0°	90.0°
C36	C39	H39	H41	120.0°	90.0°
C36	C39	H40	H41	120.0°	90.0°
C29	C31	C33	H31	180.0°	90.0°
C29	C31	C33	H32	179.7°	90.0°
C33	C31	C29	H30	179.9°	90.0°
H1	C2	C3	H3	10.3°	90.0°
H2	C2	C3	H3	109.8°	90.0°
H3	C3	C4	H4	14.2°	90.0°
H3	C3	N1	H18	50.5°	90.0°
H4	C4	C5	H5	37.4°	90.0°
H4	C4	N2	H19	69.0°	90.0°
H5	C5	C6	H6	160.9°	90.0°
H5	C5	C6	H7	79.7°	90.0°
H6	C6	C7	H8	171.6°	90.0°
H6	C6	C7	H9	68.8°	90.0°
H7	C6	C7	H8	52.3°	90.0°
H7	C6	C7	H9	171.9°	90.0°
H8	C7	C8	H10	179.6°	90.0°
H8	C7	C8	H11	60.1°	90.0°
H9	C7	C8	H10	60.8°	90.0°
H9	C7	C8	H11	179.7°	90.0°
H10	C8	C9	H12	60.8°	90.0°
H10	C8	C9	H13	58.6°	90.0°
H11	C8	C9	H12	179.7°	90.0°
H11	C8	C9	H13	60.9°	90.0°
H14	C11	C12	H16	178.9°	90.0°
H14	C11	C12	H17	59.6°	90.0°
H14	C11	N3	H20	58.7°	90.0°
H15	C11	C12	H16	62.0°	90.0°
H15	C11	C12	H17	178.7°	90.0°
H15	C11	N3	H20	177.7°	90.0°
H16	C12	N4	H21	137.9°	90.0°
H17	C12	N4	H21	18.6°	90.0°
H23	C16	C18	H24	7.2°	90.0°
H27	C23	C25	H28	3.4°	90.0°
H28	C25	C27	H29	3.3°	90.0°
H30	C29	C31	H31	0.1°	90.0°
H31	C31	C33	H32	0.3°	90.0°
H33	C37	H34	H35	120.0°	90.0°
H36	C38	H37	H38	120.0°	90.0°
H39	C39	H40	H41	120.0°	90.0°
H42	C41	H43	H44	119.9°	90.0°
H45	C42	H46	H47	120.0°	90.0°
H48	C43	H49	H50	120.0°	90.0°

Release date:	2024-07-31
Definition date:	2023-09-05
Last modified:	2024-07-26
Release status:	REL
Processing site:	PDBE
Derived from:	8QEX