GXU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C13	doub	1.22Å	1.21Å
C20	C22	doub	1.39Å	1.53Å	Aromatic
C20	C15	sing	1.39Å	1.56Å	Aromatic
C11	C18	sing	1.53Å	1.54Å
C11	N4	sing	1.47Å	1.46Å
C18	O3	sing	1.43Å	1.41Å
C13	C15	sing	1.48Å	1.54Å
C13	C8	sing	1.47Å	1.61Å
C22	C23	sing	1.38Å	1.52Å	Aromatic
C15	C16	doub	1.41Å	1.47Å	Aromatic
N4	C8	sing	1.37Å	1.34Å	Aromatic
N4	C10	sing	1.35Å	1.38Å	Aromatic
C8	C9	doub	1.39Å	1.41Å	Aromatic
O3	C25	sing	1.43Å	1.41Å
C23	C21	doub	1.39Å	1.52Å	Aromatic
C16	C21	sing	1.39Å	1.56Å	Aromatic
C16	C14	sing	1.48Å	1.52Å
C10	C17	sing	1.51Å	1.53Å
C10	N5	doub	1.31Å	1.37Å	Aromatic
C9	C14	sing	1.48Å	1.60Å
C9	N5	sing	1.34Å	1.34Å	Aromatic
C14	O2	doub	1.21Å	1.19Å
N5	C12	sing	1.46Å	1.46Å
C12	C19	sing	1.51Å	1.54Å
N6	C19	doub	1.32Å	1.46Å	Aromatic
N6	C26	sing	1.32Å	1.46Å	Aromatic
C19	C24	sing	1.38Å	1.53Å	Aromatic
C26	C27	doub	1.38Å	1.53Å	Aromatic
C24	N7	doub	1.32Å	1.46Å	Aromatic
C27	N7	sing	1.32Å	1.46Å	Aromatic
C12	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.08Å	1.08Å
C22	H9	sing	1.08Å	1.08Å
C23	H10	sing	1.08Å	1.08Å
C24	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.08Å	1.08Å
C25	H15	sing	1.09Å	1.10Å
C25	H16	sing	1.09Å	1.10Å
C25	H17	sing	1.09Å	1.10Å
C26	H18	sing	1.08Å	1.08Å
C27	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C13	C15	120.0°	120.1°
O1	C13	C8	121.6°	120.0°
C22	C20	C15	120.7°	119.8°
C20	C22	C23	120.2°	120.4°
C20	C22	H9	119.9°	119.7°
C22	C20	H14	119.6°	120.1°
C20	C15	C13	120.3°	120.5°
C20	C15	C16	118.9°	119.7°
C15	C20	H14	119.7°	120.1°
C18	C11	N4	113.8°	109.5°
C11	C18	O3	114.0°	109.5°
C11	C18	H6	108.3°	109.5°
C11	C18	H7	108.3°	109.5°
C18	C11	H12	108.4°	109.5°
C18	C11	H13	108.4°	109.5°
C11	N4	C8	127.2°	126.3°
C11	N4	C10	124.4°	126.3°
N4	C11	H12	108.4°	109.4°
N4	C11	H13	108.4°	109.5°
C18	O3	C25	115.2°	114.0°
O3	C18	H6	108.3°	109.4°
O3	C18	H7	108.3°	109.5°
C15	C13	C8	118.4°	119.9°
C13	C15	C16	120.9°	119.8°
C13	C8	N4	132.5°	133.1°
C13	C8	C9	120.4°	120.6°
C22	C23	C21	118.5°	120.4°
C23	C22	H9	119.9°	119.8°
C22	C23	H10	120.8°	119.8°
C15	C16	C21	120.9°	119.8°
C15	C16	C14	120.6°	119.8°
C8	N4	C10	108.4°	107.3°
N4	C8	C9	107.0°	106.4°
N4	C10	C17	126.9°	125.2°
N4	C10	N5	108.3°	109.7°
C8	C9	C14	120.4°	120.2°
C8	C9	N5	108.2°	107.2°
O3	C25	H15	109.5°	109.5°
O3	C25	H16	109.5°	109.4°
O3	C25	H17	109.5°	109.5°
C23	C21	C16	120.9°	119.8°
C23	C21	H8	119.5°	120.1°
C21	C23	H10	120.8°	119.8°
C21	C16	C14	118.5°	120.5°
C16	C21	H8	119.5°	120.1°
C16	C14	C9	119.3°	119.8°
C16	C14	O2	118.8°	120.1°
C17	C10	N5	124.8°	125.1°
C10	C17	H3	109.5°	109.5°
C10	C17	H4	109.5°	109.4°
C10	C17	H5	109.5°	109.4°
C10	N5	C9	108.1°	109.4°
C10	N5	C12	124.0°	125.3°
C14	C9	N5	131.4°	132.6°
C9	C14	O2	121.8°	120.1°
C9	N5	C12	127.9°	125.3°
N5	C12	C19	108.4°	109.5°
N5	C12	H1	109.8°	109.5°
N5	C12	H2	109.7°	109.5°
C12	C19	N6	121.4°	120.0°
C12	C19	C24	119.8°	120.0°
C19	C12	H1	109.7°	109.5°
C19	C12	H2	109.7°	109.5°
C19	N6	C26	121.5°	120.0°
N6	C19	C24	118.8°	120.0°
N6	C26	C27	119.2°	120.0°
N6	C26	H18	120.4°	120.0°
C19	C24	N7	119.8°	120.1°
C19	C24	H11	120.1°	120.0°
C26	C27	N7	119.5°	120.0°
C27	C26	H18	120.4°	120.0°
C26	C27	H19	120.3°	120.0°
C24	N7	C27	121.2°	119.9°
N7	C24	H11	120.1°	119.9°
N7	C27	H19	120.2°	120.0°
H1	C12	H2	109.5°	109.4°
H3	C17	H4	109.5°	109.5°
H3	C17	H5	109.5°	109.5°
H4	C17	H5	109.5°	109.5°
H6	C18	H7	109.5°	109.4°
H12	C11	H13	109.5°	109.5°
H15	C25	H16	109.5°	109.5°
H15	C25	H17	109.4°	109.5°
H16	C25	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C13	C15	C20	0.1°	0.1°
O1	C13	C15	C8	179.9°	179.9°
O1	C13	C15	C16	179.9°	179.9°
O1	C13	C8	N4	0.1°	0.2°
O1	C13	C8	C9	179.7°	180.0°
C22	C20	C15	H14	180.0°	179.9°
C22	C20	C15	C13	179.6°	179.9°
C20	C22	C23	H9	180.0°	180.0°
C22	C20	C15	C16	0.1°	0.1°
C20	C22	C23	C21	0.8°	0.0°
C20	C22	C23	H10	179.3°	180.0°
C20	C15	C13	C16	179.7°	180.0°
C20	C15	C13	C8	179.9°	180.0°
C15	C20	C22	C23	0.8°	0.0°
C20	C15	C16	C21	0.6°	0.0°
C20	C15	C16	C14	179.8°	180.0°
C15	C20	C22	H9	179.2°	179.9°
C18	C11	N4	H12	120.6°	120.0°
C18	C11	N4	H13	120.7°	120.0°
C11	C18	O3	H6	120.7°	120.0°
C11	C18	O3	H7	120.7°	120.1°
C18	C11	N4	C8	100.9°	90.0°
C18	C11	N4	C10	80.0°	90.0°
C11	C18	O3	C25	165.5°	180.0°
C11	C18	H6	H7	118.0°	120.0°
C18	C11	H12	H13	118.1°	120.0°
N4	C11	C18	O3	31.6°	180.0°
C11	N4	C8	C13	0.4°	0.1°
C11	N4	C8	C10	179.2°	180.0°
C11	N4	C8	C9	179.4°	180.0°
C11	N4	C10	C17	0.6°	0.1°
C11	N4	C10	N5	179.5°	179.8°
N4	C11	C18	H6	152.3°	60.0°
N4	C11	C18	H7	89.1°	59.9°
N4	C11	H12	H13	118.0°	120.0°
O3	C18	H6	H7	117.9°	120.0°
O3	C18	C11	H12	152.2°	60.0°
O3	C18	C11	H13	89.1°	60.0°
C18	O3	C25	H15	180.0°	180.0°
C18	O3	C25	H16	60.0°	60.0°
C18	O3	C25	H17	60.0°	59.9°
C15	C13	C8	N4	179.9°	180.0°
C15	C13	C8	C9	0.2°	0.1°
C13	C15	C16	C21	179.7°	180.0°
C13	C15	C16	C14	0.1°	0.0°
C13	C15	C20	H14	0.3°	0.0°
C8	C13	C15	C16	0.2°	0.1°
C13	C8	N4	C9	179.8°	179.9°
C13	C8	N4	C10	179.6°	179.9°
C13	C8	C9	C14	0.8°	0.1°
C13	C8	C9	N5	179.8°	179.8°
C22	C23	C21	H10	180.0°	180.0°
C22	C23	C21	C16	0.1°	0.0°
C22	C23	C21	H8	179.9°	180.0°
C23	C22	C20	H14	179.3°	180.0°
C15	C16	C21	C23	0.6°	0.0°
C15	C16	C21	C14	179.6°	180.0°
C15	C16	C14	C9	0.4°	0.0°
C15	C16	C14	O2	179.6°	180.0°
C15	C16	C21	H8	179.4°	180.0°
C16	C15	C20	H14	179.9°	180.0°
C8	N4	C10	C17	179.9°	179.8°
C8	N4	C10	N5	0.2°	0.2°
N4	C8	C9	C14	179.4°	180.0°
N4	C8	C9	N5	0.1°	0.1°
C8	N4	C11	H12	19.7°	30.1°
C8	N4	C11	H13	138.5°	150.0°
C10	N4	C8	C9	0.2°	0.0°
N4	C10	C17	N5	179.9°	180.0°
N4	C10	N5	C9	0.2°	0.3°
N4	C10	N5	C12	178.8°	180.0°
N4	C10	C17	H3	89.9°	90.0°
N4	C10	C17	H4	150.1°	30.0°
N4	C10	C17	H5	30.1°	150.0°
C10	N4	C11	H12	159.4°	150.0°
C10	N4	C11	H13	40.7°	30.0°
C8	C9	C14	C16	0.9°	0.0°
C8	C9	N5	C10	0.1°	0.2°
C8	C9	C14	N5	179.3°	179.8°
C8	C9	C14	O2	179.9°	180.0°
C8	C9	N5	C12	178.9°	180.0°
C25	O3	C18	H6	73.9°	60.0°
C25	O3	C18	H7	44.8°	59.9°
O3	C25	H15	H16	120.0°	119.9°
O3	C25	H15	H17	120.0°	120.0°
O3	C25	H16	H17	120.0°	120.0°
C23	C21	C16	H8	180.0°	179.9°
C23	C21	C16	C14	179.8°	179.9°
C21	C23	C22	H9	179.2°	180.0°
C21	C16	C14	C9	179.2°	180.0°
C21	C16	C14	O2	0.0°	0.0°
C16	C21	C23	H10	179.9°	180.0°
C16	C14	C9	O2	179.2°	180.0°
C16	C14	C9	N5	179.8°	179.8°
C14	C16	C21	H8	0.2°	0.0°
C17	C10	N5	C9	179.9°	179.8°
C17	C10	N5	C12	1.0°	0.0°
C10	C17	H3	H4	120.0°	120.0°
C10	C17	H3	H5	120.0°	120.0°
C10	C17	H4	H5	120.0°	120.0°
C10	N5	C9	C14	179.4°	179.9°
C10	N5	C9	C12	179.0°	179.7°
C10	N5	C12	C19	106.2°	90.0°
C10	N5	C12	H1	133.9°	150.0°
C10	N5	C12	H2	13.6°	30.0°
N5	C10	C17	H3	89.9°	90.0°
N5	C10	C17	H4	30.1°	150.0°
N5	C10	C17	H5	150.1°	30.0°
C14	C9	N5	C12	0.5°	0.2°
N5	C9	C14	O2	0.6°	0.2°
C9	N5	C12	C19	72.6°	89.7°
C9	N5	C12	H1	47.2°	30.3°
C9	N5	C12	H2	167.6°	150.3°
N5	C12	C19	H1	119.9°	120.0°
N5	C12	C19	H2	119.8°	120.0°
N5	C12	C19	N6	14.0°	55.0°
N5	C12	C19	C24	166.4°	125.0°
N5	C12	H1	H2	120.5°	120.0°
C12	C19	N6	C24	179.6°	180.0°
C12	C19	N6	C26	179.3°	180.0°
C12	C19	C24	N7	179.6°	180.0°
C19	C12	H1	H2	120.5°	120.0°
C12	C19	C24	H11	0.4°	0.0°
C19	N6	C26	C27	0.3°	0.0°
N6	C19	C24	N7	0.1°	0.0°
N6	C19	C12	H1	105.9°	175.0°
N6	C19	C12	H2	133.8°	65.0°
N6	C19	C24	H11	179.9°	180.0°
C19	N6	C26	H18	179.7°	180.0°
C26	N6	C19	C24	0.3°	0.0°
N6	C26	C27	H18	180.0°	179.9°
N6	C26	C27	N7	0.1°	0.0°
N6	C26	C27	H19	179.9°	180.0°
C19	C24	N7	H11	180.0°	179.9°
C19	C24	N7	C27	0.1°	0.0°
C24	C19	C12	H1	73.7°	5.0°
C24	C19	C12	H2	46.6°	115.0°
C26	C27	N7	C24	0.1°	0.0°
C26	C27	N7	H19	180.0°	180.0°
C24	N7	C27	H19	179.9°	180.0°
C27	N7	C24	H11	179.9°	180.0°
N7	C27	C26	H18	179.9°	180.0°
H3	C17	H4	H5	120.0°	120.0°
H6	C18	C11	H12	87.1°	60.0°
H6	C18	C11	H13	31.6°	NaN°
H7	C18	C11	H12	31.6°	179.9°
H7	C18	C11	H13	150.3°	60.1°
H8	C21	C23	H10	0.1°	0.0°
H9	C22	C23	H10	0.7°	0.0°
H9	C22	C20	H14	0.7°	0.0°
H15	C25	H16	H17	119.9°	120.0°
H18	C26	C27	H19	0.1°	0.0°

Release date:	2021-04-21
Definition date:	2020-10-08
Last modified:	2021-04-16
Release status:	REL
Processing site:	PDBJ
Derived from:	7D7L