5L1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	C17	doub	0.00Å	1.33Å	Aromatic
C18	N4	sing	0.00Å	1.38Å	Aromatic
C17	N3	sing	0.00Å	1.39Å	Aromatic
C2	C1	doub	0.00Å	1.41Å	Aromatic
C2	C3	sing	0.00Å	1.40Å	Aromatic
C15	C14	doub	0.00Å	1.37Å	Aromatic
C15	C16	sing	0.00Å	1.38Å	Aromatic
N4	C20	sing	0.00Å	1.47Å
N4	C19	doub	0.00Å	1.35Å	Aromatic
C14	C13	sing	0.00Å	1.39Å	Aromatic
C1	N1	sing	0.00Å	1.34Å	Aromatic
C3	C4	doub	0.00Å	1.35Å	Aromatic
N3	C16	sing	0.00Å	1.48Å
N3	C19	sing	0.00Å	1.36Å	Aromatic
C16	N2	doub	0.00Å	1.34Å	Aromatic
C19	PT1	sing	0.00Å	2.05Å
C13	C12	doub	0.00Å	1.37Å	Aromatic
N1	C5	doub	0.00Å	1.39Å	Aromatic
N1	PT1	sing	0.00Å	2.04Å
C4	C5	sing	0.00Å	1.41Å	Aromatic
N2	C12	sing	0.00Å	1.37Å	Aromatic
C29	N7	sing	0.00Å	1.49Å
C5	C6	sing	0.00Å	1.46Å
PT1	C28	sing	0.00Å	2.08Å
PT1	C11	sing	0.00Å	2.04Å
N7	C28	sing	0.00Å	1.34Å	Aromatic
N7	C27	sing	0.00Å	1.39Å	Aromatic
C6	C11	doub	0.00Å	1.37Å	Aromatic
C6	C7	sing	0.00Å	1.42Å	Aromatic
C28	N6	doub	0.00Å	1.37Å	Aromatic
C11	C10	sing	0.00Å	1.38Å	Aromatic
F1	C7	sing	0.00Å	1.38Å
C27	C26	doub	0.00Å	1.33Å	Aromatic
C7	C8	doub	0.00Å	1.35Å	Aromatic
N6	C26	sing	0.00Å	1.40Å	Aromatic
N6	C25	sing	0.00Å	1.48Å
N5	C25	doub	0.00Å	1.32Å	Aromatic
N5	C21	sing	0.00Å	1.35Å	Aromatic
C10	C9	doub	0.00Å	1.36Å	Aromatic
C25	C24	sing	0.00Å	1.38Å	Aromatic
C8	C9	sing	0.00Å	1.33Å	Aromatic
C21	C22	doub	0.00Å	1.37Å	Aromatic
C9	F2	sing	0.00Å	1.41Å
C24	C23	doub	0.00Å	1.38Å	Aromatic
C22	C23	sing	0.00Å	1.37Å	Aromatic
C27	H27	sing	0.00Å	1.08Å
C17	H17	sing	0.00Å	1.08Å
C18	H18	sing	0.00Å	1.08Å
C15	H15	sing	0.00Å	1.08Å
C24	H24	sing	0.00Å	1.08Å
C26	H26	sing	0.00Å	1.08Å
C14	H14	sing	0.00Å	1.08Å
C29	H3C	sing	0.00Å	1.10Å
C29	H3A	sing	0.00Å	1.10Å
C29	H3B	sing	0.00Å	1.10Å
C23	H23	sing	0.00Å	1.08Å
C20	H2A	sing	0.00Å	1.10Å
C20	H2B	sing	0.00Å	1.10Å
C20	H2C	sing	0.00Å	1.10Å
C22	H22	sing	0.00Å	1.08Å
C21	H21	sing	0.00Å	1.08Å
C13	H13	sing	0.00Å	1.08Å
C10	H10	sing	0.00Å	1.08Å
C12	H12	sing	0.00Å	1.08Å
C1	H1	sing	0.00Å	1.08Å
C4	H4	sing	0.00Å	1.08Å
C8	H8	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
C2	H2	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C18	N4	107.1°	90.0°
C18	C17	N3	106.6°	90.0°
C18	C17	H17	126.7°	90.0°
C17	C18	H18	126.5°	90.0°
C18	N4	C20	123.2°	90.0°
C18	N4	C19	111.9°	90.0°
N4	C18	H18	126.5°	90.0°
C17	N3	C16	120.0°	90.0°
C17	N3	C19	111.5°	90.0°
N3	C17	H17	126.7°	90.0°
C1	C2	C3	115.3°	90.0°
C2	C1	N1	123.6°	90.0°
C2	C1	H1	118.2°	90.0°
C1	C2	H2	122.4°	90.0°
C2	C3	C4	122.4°	90.0°
C2	C3	H3	118.8°	90.0°
C3	C2	H2	122.4°	90.0°
C14	C15	C16	116.6°	90.0°
C15	C14	C13	120.4°	90.0°
C14	C15	H15	121.7°	90.0°
C15	C14	H14	119.8°	90.0°
C15	C16	N3	115.9°	90.0°
C15	C16	N2	125.7°	90.0°
C16	C15	H15	121.7°	90.0°
C20	N4	C19	124.9°	90.0°
N4	C20	H2A	109.5°	90.0°
N4	C20	H2B	109.5°	90.0°
N4	C20	H2C	109.4°	90.0°
N4	C19	N3	103.0°	90.0°
N4	C19	PT1	126.0°	90.0°
C14	C13	C12	118.9°	90.0°
C13	C14	H14	119.8°	90.0°
C14	C13	H13	120.5°	90.0°
C1	N1	C5	119.9°	90.0°
C1	N1	PT1	124.8°	90.0°
N1	C1	H1	118.2°	90.0°
C3	C4	C5	120.2°	90.0°
C3	C4	H4	119.9°	90.0°
C4	C3	H3	118.8°	90.0°
C16	N3	C19	128.5°	90.0°
N3	C16	N2	118.4°	90.0°
N3	C19	PT1	131.0°	90.0°
C16	N2	C12	115.6°	90.0°
C19	PT1	N1	86.1°	90.0°
C19	PT1	C28	92.9°	90.0°
C19	PT1	C11	166.5°	90.0°
C13	C12	N2	122.8°	90.0°
C12	C13	H13	120.5°	90.0°
C13	C12	H12	118.6°	90.0°
C5	N1	PT1	115.0°	90.0°
N1	C5	C4	118.6°	90.0°
N1	C5	C6	113.5°	90.0°
N1	PT1	C28	178.9°	90.0°
N1	PT1	C11	80.5°	90.0°
C4	C5	C6	127.9°	90.0°
C5	C4	H4	119.9°	90.0°
N2	C12	H12	118.6°	90.0°
C29	N7	C28	126.1°	90.0°
C29	N7	C27	122.5°	90.0°
N7	C29	H3C	109.5°	90.0°
N7	C29	H3A	109.5°	90.0°
N7	C29	H3B	109.5°	90.0°
C5	C6	C11	116.8°	90.0°
C5	C6	C7	124.6°	90.0°
C28	PT1	C11	100.6°	90.0°
PT1	C28	N7	124.3°	90.0°
PT1	C28	N6	130.7°	90.0°
PT1	C11	C6	114.1°	90.0°
PT1	C11	C10	127.3°	90.0°
C28	N7	C27	111.4°	90.0°
N7	C28	N6	105.0°	90.0°
N7	C27	C26	107.2°	90.0°
N7	C27	H27	126.4°	90.0°
C11	C6	C7	118.5°	90.0°
C6	C11	C10	118.5°	90.0°
C6	C7	F1	118.2°	90.0°
C6	C7	C8	123.2°	90.0°
C28	N6	C26	109.5°	90.0°
C28	N6	C25	128.1°	90.0°
C11	C10	C9	119.0°	90.0°
C11	C10	H10	120.5°	90.0°
F1	C7	C8	118.6°	90.0°
C27	C26	N6	106.8°	90.0°
C26	C27	H27	126.4°	90.0°
C27	C26	H26	126.6°	90.0°
C7	C8	C9	115.2°	90.0°
C7	C8	H8	122.4°	90.0°
C26	N6	C25	122.4°	90.0°
N6	C26	H26	126.6°	90.0°
N6	C25	N5	120.6°	90.0°
N6	C25	C24	114.0°	90.0°
C25	N5	C21	115.7°	90.0°
N5	C25	C24	125.4°	90.0°
N5	C21	C22	124.0°	90.0°
N5	C21	H21	118.0°	90.0°
C10	C9	C8	125.6°	90.0°
C10	C9	F2	118.7°	90.0°
C9	C10	H10	120.5°	90.0°
C25	C24	C23	116.9°	90.0°
C25	C24	H24	121.5°	90.0°
C8	C9	F2	115.8°	90.0°
C9	C8	H8	122.4°	90.0°
C21	C22	C23	118.4°	90.0°
C21	C22	H22	120.8°	90.0°
C22	C21	H21	118.0°	90.0°
C24	C23	C22	119.5°	90.0°
C23	C24	H24	121.5°	90.0°
C24	C23	H23	120.3°	90.0°
C22	C23	H23	120.2°	90.0°
C23	C22	H22	120.8°	90.0°
H3C	C29	H3A	109.5°	90.0°
H3C	C29	H3B	109.5°	90.0°
H3A	C29	H3B	109.5°	90.0°
H2A	C20	H2B	109.5°	90.0°
H2A	C20	H2C	109.4°	90.0°
H2B	C20	H2C	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C18	N4	H18	180.0°	90.0°
C18	C17	N3	H17	180.0°	90.0°
C17	C18	N4	C20	179.9°	90.0°
C17	C18	N4	C19	1.0°	90.0°
C18	C17	N3	C16	176.0°	90.0°
C18	C17	N3	C19	1.2°	90.0°
N4	C18	C17	N3	1.3°	90.0°
C18	N4	C20	C19	178.8°	90.0°
C18	N4	C19	N3	0.2°	90.0°
C18	N4	C19	PT1	178.3°	90.0°
N4	C18	C17	H17	178.7°	90.0°
C18	N4	C20	H2A	180.0°	90.0°
C18	N4	C20	H2B	60.0°	90.0°
C18	N4	C20	H2C	60.0°	90.0°
C17	N3	C16	C15	34.3°	90.0°
C17	N3	C19	N4	0.6°	90.0°
C17	N3	C16	C19	176.7°	90.0°
C17	N3	C16	N2	147.4°	90.0°
C17	N3	C19	PT1	179.1°	90.0°
N3	C17	C18	H18	178.7°	90.0°
C1	C2	C3	H2	180.0°	90.0°
C2	C1	N1	H1	180.0°	90.0°
C1	C2	C3	C4	0.8°	90.0°
C2	C1	N1	C5	0.9°	90.0°
C2	C1	N1	PT1	174.9°	90.0°
C1	C2	C3	H3	179.3°	90.0°
C3	C2	C1	N1	0.8°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C2	C3	C4	C5	0.8°	90.0°
C3	C2	C1	H1	179.2°	90.0°
C2	C3	C4	H4	179.2°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C15	C14	C13	H14	180.0°	90.0°
C14	C15	C16	N3	179.2°	90.0°
C14	C15	C16	N2	1.1°	90.0°
C15	C14	C13	C12	1.0°	90.0°
C15	C14	C13	H13	179.0°	90.0°
C16	C15	C14	C13	0.1°	90.0°
C15	C16	N3	N2	178.3°	90.0°
C15	C16	N3	C19	149.0°	90.0°
C15	C16	N2	C12	0.9°	90.0°
C16	C15	C14	H14	179.9°	90.0°
C20	N4	C19	N3	179.1°	90.0°
C20	N4	C19	PT1	0.6°	90.0°
C20	N4	C18	H18	0.1°	90.0°
N4	C20	H2A	H2B	120.0°	90.0°
N4	C20	H2A	H2C	120.0°	90.0°
N4	C20	H2B	H2C	120.0°	90.0°
N4	C19	N3	C16	176.3°	90.0°
N4	C19	N3	PT1	178.5°	90.0°
N4	C19	PT1	N1	100.8°	90.0°
N4	C19	PT1	C28	79.4°	90.0°
N4	C19	PT1	C11	103.5°	90.0°
C19	N4	C18	H18	179.0°	90.0°
C19	N4	C20	H2A	1.2°	90.0°
C19	N4	C20	H2B	118.8°	90.0°
C19	N4	C20	H2C	121.2°	90.0°
C14	C13	C12	H13	180.0°	90.0°
C14	C13	C12	N2	1.2°	90.0°
C13	C14	C15	H15	179.9°	90.0°
C14	C13	C12	H12	178.8°	90.0°
C1	N1	PT1	C19	2.5°	90.0°
C1	N1	C5	PT1	174.5°	90.0°
C1	N1	C5	C4	0.8°	90.0°
C1	N1	C5	C6	179.0°	90.0°
C1	N1	PT1	C28	10.0°	90.0°
C1	N1	PT1	C11	176.9°	90.0°
N1	C1	C2	H2	179.2°	90.0°
C3	C4	C5	N1	0.8°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	C6	179.0°	90.0°
C4	C3	C2	H2	179.3°	90.0°
C16	N3	C19	PT1	2.2°	90.0°
N3	C16	N2	C12	179.0°	90.0°
C16	N3	C17	H17	4.0°	90.0°
N3	C16	C15	H15	0.8°	90.0°
C19	N3	C16	N2	29.3°	90.0°
N3	C19	PT1	N1	81.0°	90.0°
N3	C19	PT1	C28	98.7°	90.0°
N3	C19	PT1	C11	78.4°	90.0°
C19	N3	C17	H17	178.8°	90.0°
C16	N2	C12	C13	0.3°	90.0°
N2	C16	C15	H15	178.9°	90.0°
C16	N2	C12	H12	179.7°	90.0°
C19	PT1	N1	C5	176.7°	90.0°
C19	PT1	N1	C28	12.4°	90.0°
C19	PT1	N1	C11	179.4°	90.0°
C19	PT1	C28	C11	179.3°	90.0°
C19	PT1	C28	N7	20.1°	90.0°
C19	PT1	C11	C6	2.5°	90.0°
C19	PT1	C28	N6	158.5°	90.0°
C19	PT1	C11	C10	179.1°	90.0°
C13	C12	N2	H12	180.0°	90.0°
C12	C13	C14	H14	179.0°	90.0°
N1	C5	C4	C6	179.8°	90.0°
C5	N1	PT1	C28	164.3°	90.0°
C5	N1	PT1	C11	2.7°	90.0°
N1	C5	C6	C11	4.3°	90.0°
N1	C5	C6	C7	175.5°	90.0°
C5	N1	C1	H1	179.1°	90.0°
N1	C5	C4	H4	179.2°	90.0°
PT1	N1	C5	C4	175.4°	90.0°
PT1	N1	C5	C6	4.4°	90.0°
N1	PT1	C28	C11	166.9°	90.0°
N1	PT1	C28	N7	7.7°	90.0°
N1	PT1	C11	C6	0.2°	90.0°
N1	PT1	C28	N6	171.0°	90.0°
N1	PT1	C11	C10	176.3°	90.0°
PT1	N1	C1	H1	5.1°	90.0°
C4	C5	C6	C11	175.5°	90.0°
C4	C5	C6	C7	4.7°	90.0°
C5	C4	C3	H3	179.2°	90.0°
N2	C12	C13	H13	178.8°	90.0°
C29	N7	C28	PT1	0.0°	90.0°
C29	N7	C28	C27	178.2°	90.0°
C29	N7	C28	N6	179.0°	90.0°
C29	N7	C27	C26	178.3°	90.0°
C29	N7	C27	H27	1.7°	90.0°
N7	C29	H3C	H3A	120.0°	90.0°
N7	C29	H3C	H3B	120.0°	90.0°
N7	C29	H3A	H3B	120.0°	90.0°
C5	C6	C11	PT1	2.1°	90.0°
C5	C6	C11	C7	179.9°	90.0°
C5	C6	C11	C10	179.0°	90.0°
C5	C6	C7	F1	2.9°	90.0°
C5	C6	C7	C8	178.4°	90.0°
C6	C5	C4	H4	1.0°	90.0°
PT1	C28	N7	N6	179.0°	90.0°
PT1	C28	N7	C27	178.1°	90.0°
C28	PT1	C11	C6	179.5°	90.0°
C28	PT1	C11	C10	3.9°	90.0°
PT1	C28	N6	C26	177.6°	90.0°
PT1	C28	N6	C25	1.9°	90.0°
C11	PT1	C28	N7	159.2°	90.0°
PT1	C11	C6	C10	176.9°	90.0°
PT1	C11	C6	C7	177.8°	90.0°
C11	PT1	C28	N6	22.2°	90.0°
PT1	C11	C10	C9	176.3°	90.0°
PT1	C11	C10	H10	3.7°	90.0°
C28	N7	C27	C26	0.1°	90.0°
N7	C28	N6	C26	1.2°	90.0°
N7	C28	N6	C25	179.3°	90.0°
C28	N7	C27	H27	179.9°	90.0°
C28	N7	C29	H3C	180.0°	90.0°
C28	N7	C29	H3A	60.0°	90.0°
C28	N7	C29	H3B	60.0°	90.0°
C27	N7	C28	N6	0.8°	90.0°
N7	C27	C26	H27	180.0°	90.0°
N7	C27	C26	N6	0.7°	90.0°
N7	C27	C26	H26	179.3°	90.0°
C27	N7	C29	H3C	2.1°	90.0°
C27	N7	C29	H3A	122.1°	90.0°
C27	N7	C29	H3B	118.0°	90.0°
C11	C6	C7	F1	177.3°	90.0°
C11	C6	C7	C8	1.5°	90.0°
C6	C11	C10	C9	0.2°	90.0°
C6	C11	C10	H10	179.8°	90.0°
C7	C6	C11	C10	0.8°	90.0°
C6	C7	F1	C8	178.8°	90.0°
C6	C7	C8	C9	0.9°	90.0°
C6	C7	C8	H8	179.0°	90.0°
C28	N6	C26	C27	1.2°	90.0°
C28	N6	C26	C25	179.5°	90.0°
C28	N6	C25	N5	34.4°	90.0°
C28	N6	C25	C24	144.2°	90.0°
C28	N6	C26	H26	178.8°	90.0°
C11	C10	C9	H10	180.0°	90.0°
C11	C10	C9	C8	0.8°	90.0°
C11	C10	C9	F2	178.7°	90.0°
F1	C7	C8	C9	177.8°	90.0°
F1	C7	C8	H8	2.2°	90.0°
C27	C26	N6	H26	180.0°	90.0°
C27	C26	N6	C25	179.3°	90.0°
C7	C8	C9	C10	0.2°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	F2	179.3°	90.0°
C26	N6	C25	N5	145.0°	90.0°
C26	N6	C25	C24	36.4°	90.0°
N6	C26	C27	H27	179.3°	90.0°
N6	C25	N5	C24	178.4°	90.0°
N6	C25	N5	C21	179.4°	90.0°
N6	C25	C24	C23	178.7°	90.0°
N6	C25	C24	H24	1.3°	90.0°
C25	N6	C26	H26	0.7°	90.0°
C25	N5	C21	C22	0.4°	90.0°
N5	C25	C24	C23	2.8°	90.0°
N5	C25	C24	H24	177.2°	90.0°
C25	N5	C21	H21	179.6°	90.0°
C21	N5	C25	C24	2.1°	90.0°
N5	C21	C22	H21	180.0°	90.0°
N5	C21	C22	C23	2.1°	90.0°
N5	C21	C22	H22	177.9°	90.0°
C10	C9	C8	F2	179.5°	90.0°
C10	C9	C8	H8	179.8°	90.0°
C25	C24	C23	H24	180.0°	90.0°
C25	C24	C23	C22	0.9°	90.0°
C25	C24	C23	H23	179.1°	90.0°
C8	C9	C10	H10	179.2°	90.0°
C21	C22	C23	C24	1.3°	90.0°
C21	C22	C23	H22	180.0°	90.0°
C21	C22	C23	H23	178.7°	90.0°
F2	C9	C10	H10	1.3°	90.0°
F2	C9	C8	H8	0.7°	90.0°
C24	C23	C22	H23	180.0°	90.0°
C24	C23	C22	H22	178.7°	90.0°
C22	C23	C24	H24	179.1°	90.0°
C23	C22	C21	H21	177.9°	90.0°
H27	C27	C26	H26	0.7°	90.0°
H17	C17	C18	H18	1.3°	90.0°
H15	C15	C14	H14	0.1°	90.0°
H24	C24	C23	H23	0.9°	90.0°
H14	C14	C13	H13	1.0°	90.0°
H3C	C29	H3A	H3B	120.0°	90.0°
H23	C23	C22	H22	1.3°	90.0°
H2A	C20	H2B	H2C	120.0°	90.0°
H22	C22	C21	H21	2.0°	90.0°
H13	C13	C12	H12	1.2°	90.0°
H1	C1	C2	H2	0.8°	90.0°
H4	C4	C3	H3	0.8°	90.0°
H3	C3	C2	H2	0.7°	90.0°

Release date:	2022-09-28
Definition date:	2021-08-19
Last modified:	2022-09-23
Release status:	REL
Processing site:	PDBJ
Derived from:	7V3T