9CV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	N5	sing	0.00Å	1.46Å
C17	C18	sing	0.00Å	1.51Å
N5	C4	sing	0.00Å	1.39Å
C28	C29	doub	0.00Å	1.39Å	Aromatic
C28	C27	sing	0.00Å	1.38Å	Aromatic
C18	C19	doub	0.00Å	1.39Å	Aromatic
C18	C23	sing	0.00Å	1.39Å	Aromatic
C29	C24	sing	0.00Å	1.39Å	Aromatic
C8	C9	sing	0.00Å	1.53Å
C8	C7	sing	0.00Å	1.52Å
C19	C20	sing	0.00Å	1.38Å	Aromatic
C4	C3	doub	0.00Å	1.40Å	Aromatic
C4	C5	sing	0.00Å	1.41Å	Aromatic
N2	C5	sing	0.00Å	1.36Å
N2	C7	sing	0.00Å	1.47Å
C27	C26	doub	0.00Å	1.38Å	Aromatic
C23	C22	doub	0.00Å	1.39Å	Aromatic
C3	C2	sing	0.00Å	1.39Å	Aromatic
C5	N1	doub	0.00Å	1.36Å	Aromatic
C9	N3	sing	0.00Å	1.47Å
C7	C11	sing	0.00Å	1.54Å
C20	C21	doub	0.00Å	1.37Å	Aromatic
C22	C21	sing	0.00Å	1.38Å	Aromatic
C22	O1	sing	0.00Å	1.40Å
C24	O1	sing	0.00Å	1.40Å
C24	C25	doub	0.00Å	1.39Å	Aromatic
N4	C16	doub	0.00Å	1.34Å	Aromatic
N4	C12	sing	0.00Å	1.35Å	Aromatic
C2	C6	doub	0.00Å	1.39Å	Aromatic
C2	C1	sing	0.00Å	1.50Å
C26	C25	sing	0.00Å	1.39Å	Aromatic
N1	C6	sing	0.00Å	1.34Å	Aromatic
C21	F	sing	0.00Å	1.35Å
C16	C15	sing	0.00Å	1.38Å	Aromatic
O	C1	doub	0.00Å	1.23Å
C1	N	sing	0.00Å	1.33Å
N3	C12	sing	0.00Å	1.39Å
N3	C10	sing	0.00Å	1.47Å
C12	C13	doub	0.00Å	1.40Å	Aromatic
C11	C10	sing	0.00Å	1.54Å
C15	C14	doub	0.00Å	1.38Å	Aromatic
N	C	sing	0.00Å	1.45Å
C13	C14	sing	0.00Å	1.39Å	Aromatic
C20	H1	sing	0.00Å	1.08Å
C19	H2	sing	0.00Å	1.08Å
C29	H3	sing	0.00Å	1.08Å
C28	H4	sing	0.00Å	1.08Å
C27	H5	sing	0.00Å	1.08Å
C26	H6	sing	0.00Å	1.08Å
C25	H7	sing	0.00Å	1.08Å
C23	H8	sing	0.00Å	1.08Å
C17	H9	sing	0.00Å	1.10Å
C17	H10	sing	0.00Å	1.10Å
N5	H11	sing	0.00Å	1.00Å
C3	H12	sing	0.00Å	1.08Å
C6	H13	sing	0.00Å	1.08Å
N	H14	sing	0.00Å	1.00Å
C	H15	sing	0.00Å	1.10Å
C	H16	sing	0.00Å	1.10Å
C	H17	sing	0.00Å	1.10Å
N2	H18	sing	0.00Å	1.00Å
C7	H19	sing	0.00Å	1.10Å
C11	H20	sing	0.00Å	1.10Å
C11	H21	sing	0.00Å	1.10Å
C10	H22	sing	0.00Å	1.10Å
C10	H23	sing	0.00Å	1.10Å
C9	H24	sing	0.00Å	1.10Å
C9	H25	sing	0.00Å	1.10Å
C8	H26	sing	0.00Å	1.10Å
C8	H27	sing	0.00Å	1.10Å
C16	H28	sing	0.00Å	1.08Å
C15	H29	sing	0.00Å	1.08Å
C14	H30	sing	0.00Å	1.08Å
C13	H31	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C17	C18	112.0°	90.0°
C17	N5	C4	124.0°	90.0°
N5	C17	H9	108.8°	90.0°
N5	C17	H10	108.8°	90.0°
C17	N5	H11	105.7°	90.0°
C17	C18	C19	120.7°	90.0°
C17	C18	C23	120.4°	90.0°
C18	C17	H9	108.9°	90.0°
C18	C17	H10	108.8°	90.0°
N5	C4	C3	121.4°	90.0°
N5	C4	C5	118.9°	90.0°
C4	N5	H11	105.7°	90.0°
C29	C28	C27	120.4°	90.0°
C28	C29	C24	119.2°	90.0°
C28	C29	H3	120.4°	90.0°
C29	C28	H4	119.8°	90.0°
C28	C27	C26	120.0°	90.0°
C27	C28	H4	119.8°	90.0°
C28	C27	H5	120.0°	90.0°
C19	C18	C23	118.5°	90.0°
C18	C19	C20	121.2°	90.0°
C18	C19	H2	119.4°	90.0°
C18	C23	C22	120.9°	90.0°
C18	C23	H8	119.6°	90.0°
C29	C24	O1	122.4°	90.0°
C29	C24	C25	120.7°	90.0°
C24	C29	H3	120.4°	90.0°
C9	C8	C7	110.6°	90.0°
C8	C9	N3	111.0°	90.0°
C8	C9	H24	109.1°	90.0°
C8	C9	H25	109.1°	90.0°
C9	C8	H26	109.2°	90.0°
C9	C8	H27	109.2°	90.0°
C8	C7	N2	109.5°	90.0°
C8	C7	C11	110.6°	90.0°
C8	C7	H19	109.2°	90.0°
C7	C8	H26	109.2°	90.0°
C7	C8	H27	109.2°	90.0°
C19	C20	C21	118.8°	90.0°
C19	C20	H1	120.6°	90.0°
C20	C19	H2	119.4°	90.0°
C3	C4	C5	119.6°	90.0°
C4	C3	C2	120.0°	90.0°
C4	C3	H12	120.0°	90.0°
C4	C5	N2	123.4°	90.0°
C4	C5	N1	118.8°	90.0°
C5	N2	C7	126.7°	90.0°
N2	C5	N1	117.1°	90.0°
C5	N2	H18	105.0°	90.0°
N2	C7	C11	108.5°	90.0°
C7	N2	H18	105.0°	90.0°
N2	C7	H19	110.0°	90.0°
C27	C26	C25	120.5°	90.0°
C26	C27	H5	120.0°	90.0°
C27	C26	H6	119.8°	90.0°
C23	C22	C21	118.5°	90.0°
C23	C22	O1	123.1°	90.0°
C22	C23	H8	119.5°	90.0°
C3	C2	C6	117.5°	90.0°
C3	C2	C1	119.3°	90.0°
C2	C3	H12	120.0°	90.0°
C5	N1	C6	120.5°	90.0°
C9	N3	C12	120.3°	90.0°
C9	N3	C10	109.7°	90.0°
N3	C9	H24	109.1°	90.0°
N3	C9	H25	109.1°	90.0°
C7	C11	C10	111.2°	90.0°
C11	C7	H19	109.0°	90.0°
C7	C11	H20	109.1°	90.0°
C7	C11	H21	109.0°	90.0°
C20	C21	C22	122.0°	90.0°
C20	C21	F	119.4°	90.0°
C21	C20	H1	120.6°	90.0°
C21	C22	O1	118.2°	90.0°
C22	C21	F	118.5°	90.0°
C22	O1	C24	124.4°	90.0°
O1	C24	C25	116.8°	90.0°
C24	C25	C26	119.2°	90.0°
C24	C25	H7	120.4°	90.0°
C16	N4	C12	117.8°	90.0°
N4	C16	C15	123.6°	90.0°
N4	C16	H28	118.2°	90.0°
N4	C12	N3	116.3°	90.0°
N4	C12	C13	122.3°	90.0°
C6	C2	C1	122.8°	90.0°
C2	C6	N1	123.0°	90.0°
C2	C6	H13	118.5°	90.0°
C2	C1	O	120.4°	90.0°
C2	C1	N	117.2°	90.0°
C25	C26	H6	119.8°	90.0°
C26	C25	H7	120.4°	90.0°
N1	C6	H13	118.5°	90.0°
C16	C15	C14	118.1°	90.0°
C15	C16	H28	118.2°	90.0°
C16	C15	H29	120.9°	90.0°
O	C1	N	122.4°	90.0°
C1	N	C	122.0°	90.0°
C1	N	H14	119.0°	90.0°
C12	N3	C10	123.9°	90.0°
N3	C12	C13	121.4°	90.0°
N3	C10	C11	111.3°	90.0°
N3	C10	H22	109.0°	90.0°
N3	C10	H23	109.0°	90.0°
C12	C13	C14	118.0°	90.0°
C12	C13	H31	121.0°	90.0°
C10	C11	H20	109.0°	90.0°
C10	C11	H21	109.1°	90.0°
C11	C10	H22	109.0°	90.0°
C11	C10	H23	109.0°	90.0°
C15	C14	C13	120.1°	90.0°
C14	C15	H29	120.9°	90.0°
C15	C14	H30	119.9°	90.0°
C	N	H14	119.0°	90.0°
N	C	H15	109.5°	90.0°
N	C	H16	109.5°	90.0°
N	C	H17	109.4°	90.0°
C13	C14	H30	120.0°	90.0°
C14	C13	H31	121.0°	90.0°
H9	C17	H10	109.5°	90.0°
H15	C	H16	109.4°	90.0°
H15	C	H17	109.5°	90.0°
H16	C	H17	109.5°	90.0°
H20	C11	H21	109.4°	90.0°
H22	C10	H23	109.5°	90.0°
H24	C9	H25	109.5°	90.0°
H26	C8	H27	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C17	C18	H9	120.4°	90.0°
N5	C17	C18	H10	120.3°	90.0°
C17	N5	C4	H11	122.0°	90.0°
N5	C17	C18	C19	121.8°	90.0°
N5	C17	C18	C23	51.4°	90.0°
C17	N5	C4	C3	10.9°	90.0°
C17	N5	C4	C5	172.0°	90.0°
N5	C17	H9	H10	118.8°	90.0°
C18	C17	N5	C4	69.8°	90.0°
C17	C18	C19	C23	173.3°	90.0°
C17	C18	C19	C20	176.4°	90.0°
C17	C18	C23	C22	177.9°	90.0°
C17	C18	C19	H2	3.6°	90.0°
C17	C18	C23	H8	2.1°	90.0°
C18	C17	H9	H10	118.9°	90.0°
C18	C17	N5	H11	52.3°	90.0°
N5	C4	C3	C5	177.1°	90.0°
N5	C4	C5	N2	2.6°	90.0°
N5	C4	C3	C2	176.4°	90.0°
N5	C4	C5	N1	173.1°	90.0°
C4	N5	C17	H9	50.6°	90.0°
C4	N5	C17	H10	169.9°	90.0°
N5	C4	C3	H12	3.6°	90.0°
C29	C28	C27	H4	180.0°	90.0°
C28	C29	C24	H3	180.0°	90.0°
C29	C28	C27	C26	1.9°	90.0°
C28	C29	C24	O1	177.5°	90.0°
C28	C29	C24	C25	0.6°	90.0°
C29	C28	C27	H5	178.1°	90.0°
C27	C28	C29	C24	0.8°	90.0°
C28	C27	C26	H5	180.0°	90.0°
C28	C27	C26	C25	1.7°	90.0°
C27	C28	C29	H3	179.2°	90.0°
C28	C27	C26	H6	178.3°	90.0°
C18	C19	C20	H2	180.0°	90.0°
C19	C18	C23	C22	4.6°	90.0°
C18	C19	C20	C21	1.8°	90.0°
C18	C19	C20	H1	178.2°	90.0°
C19	C18	C23	H8	175.4°	90.0°
C19	C18	C17	H9	1.4°	90.0°
C19	C18	C17	H10	117.9°	90.0°
C23	C18	C19	C20	3.0°	90.0°
C18	C23	C22	H8	180.0°	90.0°
C18	C23	C22	C21	4.8°	90.0°
C18	C23	C22	O1	178.8°	90.0°
C23	C18	C19	H2	177.0°	90.0°
C23	C18	C17	H9	171.8°	90.0°
C23	C18	C17	H10	68.9°	90.0°
C29	C24	O1	C22	34.7°	90.0°
C29	C24	O1	C25	177.0°	90.0°
C29	C24	C25	C26	0.8°	90.0°
C24	C29	C28	H4	179.2°	90.0°
C29	C24	C25	H7	179.1°	90.0°
C9	C8	C7	H26	120.1°	90.0°
C9	C8	C7	H27	120.2°	90.0°
C9	C8	C7	N2	171.6°	90.0°
C8	C9	N3	H24	120.2°	90.0°
C8	C9	N3	H25	120.3°	90.0°
C9	C8	C7	C11	52.1°	90.0°
C8	C9	N3	C12	91.4°	90.0°
C8	C9	N3	C10	62.2°	90.0°
C9	C8	C7	H19	68.0°	90.0°
C8	C9	H24	H25	119.3°	90.0°
C9	C8	H26	H27	119.5°	90.0°
C8	C7	N2	C5	177.4°	90.0°
C8	C7	N2	C11	120.8°	90.0°
C8	C7	N2	H19	119.9°	90.0°
C7	C8	C9	N3	58.3°	90.0°
C8	C7	C11	H19	120.1°	90.0°
C8	C7	C11	C10	50.9°	90.0°
C8	C7	N2	H18	55.1°	90.0°
C8	C7	C11	H20	171.1°	90.0°
C8	C7	C11	H21	69.4°	90.0°
C7	C8	C9	H24	178.5°	90.0°
C7	C8	C9	H25	62.0°	90.0°
C7	C8	H26	H27	119.5°	90.0°
C19	C20	C21	H1	180.0°	90.0°
C19	C20	C21	C22	2.1°	90.0°
C19	C20	C21	F	178.2°	90.0°
C3	C4	C5	N2	174.6°	90.0°
C4	C3	C2	H12	180.0°	90.0°
C3	C4	C5	N1	4.0°	90.0°
C4	C3	C2	C6	1.1°	90.0°
C4	C3	C2	C1	173.5°	90.0°
C3	C4	N5	H11	132.9°	90.0°
C4	C5	N2	N1	170.7°	90.0°
C4	C5	N2	C7	168.3°	90.0°
C5	C4	C3	C2	0.7°	90.0°
C4	C5	N1	C6	7.9°	90.0°
C5	C4	N5	H11	50.0°	90.0°
C5	C4	C3	H12	179.3°	90.0°
C4	C5	N2	H18	46.0°	90.0°
C5	N2	C7	H18	122.3°	90.0°
C5	N2	C7	C11	56.5°	90.0°
N2	C5	N1	C6	179.0°	90.0°
C5	N2	C7	H19	62.7°	90.0°
C7	N2	C5	N1	21.0°	90.0°
N2	C7	C11	H19	119.8°	90.0°
N2	C7	C11	C10	171.0°	90.0°
N2	C7	C11	H20	68.8°	90.0°
N2	C7	C11	H21	50.7°	90.0°
N2	C7	C8	H26	68.3°	90.0°
N2	C7	C8	H27	51.4°	90.0°
C27	C26	C25	C24	0.3°	90.0°
C27	C26	C25	H6	180.0°	90.0°
C26	C27	C28	H4	178.0°	90.0°
C27	C26	C25	H7	179.7°	90.0°
C23	C22	C21	C20	3.6°	90.0°
C23	C22	C21	O1	174.3°	90.0°
C23	C22	O1	C24	41.4°	90.0°
C23	C22	C21	F	179.8°	90.0°
C3	C2	C6	C1	172.1°	90.0°
C3	C2	C6	N1	5.1°	90.0°
C3	C2	C1	O	19.0°	90.0°
C3	C2	C1	N	163.7°	90.0°
C3	C2	C6	H13	174.9°	90.0°
C5	N1	C6	C2	8.7°	90.0°
C5	N1	C6	H13	171.3°	90.0°
N1	C5	N2	H18	143.3°	90.0°
C9	N3	C12	N4	36.1°	90.0°
C9	N3	C12	C10	149.7°	90.0°
C9	N3	C12	C13	141.7°	90.0°
C9	N3	C10	C11	60.7°	90.0°
C9	N3	C10	H22	179.0°	90.0°
C9	N3	C10	H23	59.6°	90.0°
N3	C9	H24	H25	119.3°	90.0°
N3	C9	C8	H26	178.4°	90.0°
N3	C9	C8	H27	61.9°	90.0°
C7	C11	C10	N3	55.4°	90.0°
C7	C11	C10	H20	120.3°	90.0°
C7	C11	C10	H21	120.2°	90.0°
C11	C7	N2	H18	65.8°	90.0°
C7	C11	H20	H21	119.2°	90.0°
C7	C11	C10	H22	175.7°	90.0°
C7	C11	C10	H23	64.9°	90.0°
C11	C7	C8	H26	172.2°	90.0°
C11	C7	C8	H27	68.1°	90.0°
C20	C21	C22	F	176.2°	90.0°
C20	C21	C22	O1	177.9°	90.0°
C21	C20	C19	H2	178.2°	90.0°
C21	C22	O1	C24	144.6°	90.0°
C22	C21	C20	H1	177.9°	90.0°
C21	C22	C23	H8	175.2°	90.0°
C22	O1	C24	C25	148.4°	90.0°
O1	C22	C21	F	5.9°	90.0°
O1	C22	C23	H8	1.2°	90.0°
O1	C24	C25	C26	177.9°	90.0°
O1	C24	C29	H3	2.5°	90.0°
O1	C24	C25	H7	2.1°	90.0°
C24	C25	C26	H7	180.0°	90.0°
C25	C24	C29	H3	179.4°	90.0°
C24	C25	C26	H6	179.7°	90.0°
N4	C16	C15	H28	180.0°	90.0°
C16	N4	C12	N3	178.4°	90.0°
C16	N4	C12	C13	0.5°	90.0°
N4	C16	C15	C14	2.2°	90.0°
N4	C16	C15	H29	177.8°	90.0°
C12	N4	C16	C15	0.7°	90.0°
N4	C12	N3	C13	177.8°	90.0°
N4	C12	N3	C10	174.2°	90.0°
N4	C12	C13	C14	0.2°	90.0°
C12	N4	C16	H28	179.3°	90.0°
N4	C12	C13	H31	179.8°	90.0°
C2	C6	N1	H13	180.0°	90.0°
C6	C2	C1	O	153.1°	90.0°
C6	C2	C1	N	24.3°	90.0°
C6	C2	C3	H12	178.9°	90.0°
C1	C2	C6	N1	177.2°	90.0°
C2	C1	O	N	177.2°	90.0°
C2	C1	N	C	176.2°	90.0°
C1	C2	C3	H12	6.5°	90.0°
C1	C2	C6	H13	2.8°	90.0°
C2	C1	N	H14	3.8°	90.0°
C25	C26	C27	H5	178.3°	90.0°
F	C21	C20	H1	1.8°	90.0°
C16	C15	C14	H29	180.0°	90.0°
C16	C15	C14	C13	2.5°	90.0°
C16	C15	C14	H30	177.6°	90.0°
O	C1	N	C	1.1°	90.0°
O	C1	N	H14	178.9°	90.0°
C1	N	C	H14	180.0°	90.0°
C1	N	C	H15	180.0°	90.0°
C1	N	C	H16	60.0°	90.0°
C1	N	C	H17	60.0°	90.0°
C12	N3	C10	C11	91.8°	90.0°
N3	C12	C13	C14	177.9°	90.0°
C12	N3	C10	H22	28.5°	90.0°
C12	N3	C10	H23	148.0°	90.0°
C12	N3	C9	H24	28.8°	90.0°
C12	N3	C9	H25	148.3°	90.0°
N3	C12	C13	H31	2.1°	90.0°
C10	N3	C12	C13	7.9°	90.0°
N3	C10	C11	H22	120.3°	90.0°
N3	C10	C11	H23	120.3°	90.0°
N3	C10	C11	H20	175.7°	90.0°
N3	C10	C11	H21	64.8°	90.0°
N3	C10	H22	H23	119.2°	90.0°
C10	N3	C9	H24	177.6°	90.0°
C10	N3	C9	H25	58.1°	90.0°
C12	C13	C14	C15	1.3°	90.0°
C12	C13	C14	H31	180.0°	90.0°
C12	C13	C14	H30	178.7°	90.0°
C10	C11	C7	H19	69.2°	90.0°
C10	C11	H20	H21	119.2°	90.0°
C11	C10	H22	H23	119.2°	90.0°
C15	C14	C13	H30	180.0°	90.0°
C14	C15	C16	H28	177.8°	90.0°
C15	C14	C13	H31	178.7°	90.0°
N	C	H15	H16	120.0°	90.0°
N	C	H15	H17	120.0°	90.0°
N	C	H16	H17	120.0°	90.0°
C13	C14	C15	H29	177.6°	90.0°
H1	C20	C19	H2	1.8°	90.0°
H3	C29	C28	H4	0.8°	90.0°
H4	C28	C27	H5	2.0°	90.0°
H5	C27	C26	H6	1.7°	90.0°
H6	C26	C25	H7	0.3°	90.0°
H9	C17	N5	H11	172.7°	90.0°
H10	C17	N5	H11	68.1°	90.0°
H14	N	C	H15	0.0°	90.0°
H14	N	C	H16	120.0°	90.0°
H14	N	C	H17	120.0°	90.0°
H15	C	H16	H17	120.0°	90.0°
H18	N2	C7	H19	175.0°	90.0°
H19	C7	C11	H20	51.0°	90.0°
H19	C7	C11	H21	170.5°	90.0°
H19	C7	C8	H26	52.2°	90.0°
H19	C7	C8	H27	171.8°	90.0°
H20	C11	C10	H22	64.0°	90.0°
H20	C11	C10	H23	55.4°	90.0°
H21	C11	C10	H22	55.4°	90.0°
H21	C11	C10	H23	174.9°	90.0°
H24	C9	C8	H26	61.4°	90.0°
H24	C9	C8	H27	58.3°	90.0°
H25	C9	C8	H26	58.2°	90.0°
H25	C9	C8	H27	177.8°	90.0°
H28	C16	C15	H29	2.1°	90.0°
H29	C15	C14	H30	2.4°	90.0°
H30	C14	C13	H31	1.3°	90.0°

Release date:	2016-11-30
Definition date:	2016-03-24
Last modified:	2016-11-25
Release status:	REL
Processing site:	EBI
Derived from:	5G0U