BO6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C30	N27	sing	1.46Å	1.48Å
C28	N27	doub	1.32Å	1.39Å	Aromatic
C28	C29	sing	1.38Å	1.39Å	Aromatic
N27	C26	sing	1.32Å	1.39Å	Aromatic
C29	C24	doub	1.40Å	1.40Å	Aromatic
C26	C25	doub	1.38Å	1.39Å	Aromatic
C24	C25	sing	1.40Å	1.40Å	Aromatic
C24	C23	sing	1.47Å	1.39Å
C20	C21	doub	1.38Å	1.39Å	Aromatic
C20	N19	sing	1.32Å	1.40Å	Aromatic
C23	C22	doub	1.34Å	1.53Å
C31	N19	sing	1.46Å	1.48Å
C21	C16	sing	1.40Å	1.40Å	Aromatic
C22	C11	sing	1.47Å	1.39Å
N19	C18	doub	1.32Å	1.39Å	Aromatic
C16	C15	sing	1.47Å	1.39Å
C16	C17	doub	1.40Å	1.40Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.34Å	1.53Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C10	C4	sing	1.39Å	1.34Å	Aromatic
C11	C12	sing	1.40Å	1.37Å	Aromatic
C14	C7	sing	1.47Å	1.39Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C6	C3	sing	1.39Å	1.34Å	Aromatic
C7	C8	sing	1.40Å	1.38Å	Aromatic
C4	C3	sing	1.48Å	1.33Å	Aromatic
C4	C5	doub	1.40Å	1.35Å	Aromatic
C12	C13	doub	1.36Å	1.38Å	Aromatic
C3	C2	doub	1.40Å	1.35Å	Aromatic
C5	C13	sing	1.39Å	1.34Å	Aromatic
C5	N1	sing	1.38Å	1.33Å	Aromatic
C8	C9	doub	1.36Å	1.38Å	Aromatic
C2	C9	sing	1.39Å	1.34Å	Aromatic
C2	N1	sing	1.38Å	1.33Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C31	H9N	sing	1.09Å	1.10Å
C31	H9O	sing	1.09Å	1.10Å
C31	H31	sing	1.09Å	1.10Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
C10	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C30	H30	sing	1.09Å	1.10Å
C30	H9L	sing	1.09Å	1.10Å
C30	H9M	sing	1.09Å	1.10Å
C28	H28	sing	1.08Å	1.08Å
C29	H29	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C30	N27	C28	120.1°	119.0°
C30	N27	C26	120.1°	119.0°
N27	C30	H30	109.5°	109.5°
N27	C30	H9L	109.4°	109.5°
N27	C30	H9M	109.5°	109.5°
N27	C28	C29	120.0°	121.0°
C28	N27	C26	119.8°	122.1°
N27	C28	H28	120.0°	119.5°
C28	C29	C24	120.7°	118.9°
C29	C28	H28	120.0°	119.6°
C28	C29	H29	119.7°	120.5°
N27	C26	C25	120.0°	121.0°
N27	C26	H26	120.0°	119.5°
C29	C24	C25	118.9°	118.1°
C29	C24	C23	122.3°	120.9°
C24	C29	H29	119.7°	120.6°
C26	C25	C24	120.5°	119.0°
C26	C25	H25	119.7°	120.5°
C25	C26	H26	120.0°	119.5°
C25	C24	C23	118.8°	121.0°
C24	C25	H25	119.7°	120.5°
C24	C23	C22	123.6°	120.0°
C24	C23	H23	118.2°	120.0°
C21	C20	N19	120.1°	121.0°
C20	C21	C16	120.7°	119.0°
C21	C20	H20	120.0°	119.5°
C20	C21	H21	119.6°	120.5°
C20	N19	C31	120.1°	119.0°
C20	N19	C18	119.8°	122.1°
N19	C20	H20	120.0°	119.5°
C23	C22	C11	123.4°	120.0°
C23	C22	H22	118.3°	120.0°
C22	C23	H23	118.2°	120.0°
C31	N19	C18	120.1°	119.0°
N19	C31	H9N	109.5°	109.5°
N19	C31	H9O	109.5°	109.5°
N19	C31	H31	109.5°	109.5°
C21	C16	C15	122.2°	121.0°
C21	C16	C17	118.8°	118.1°
C16	C21	H21	119.7°	120.5°
C22	C11	C10	119.5°	120.1°
C22	C11	C12	122.0°	120.1°
C11	C22	H22	118.3°	120.0°
N19	C18	C17	120.1°	121.0°
N19	C18	H18	120.0°	119.5°
C15	C16	C17	118.9°	120.9°
C16	C15	C14	123.7°	120.0°
C16	C15	H2	118.2°	120.0°
C16	C17	C18	120.5°	118.9°
C16	C17	H17	119.8°	120.6°
C18	C17	H17	119.7°	120.5°
C17	C18	H18	120.0°	119.6°
C15	C14	C7	123.3°	120.0°
C14	C15	H2	118.1°	120.0°
C15	C14	H3	118.3°	120.0°
C11	C10	C4	120.3°	119.5°
C10	C11	C12	118.5°	119.8°
C11	C10	H10	119.9°	120.2°
C10	C4	C3	131.3°	133.4°
C10	C4	C5	120.8°	120.2°
C4	C10	H10	119.8°	120.3°
C11	C12	C13	119.5°	120.6°
C11	C12	H12	120.2°	119.7°
C14	C7	C6	118.9°	120.1°
C14	C7	C8	122.6°	120.1°
C7	C14	H3	118.3°	120.0°
C7	C6	C3	120.3°	119.5°
C6	C7	C8	118.6°	119.8°
C7	C6	H6	119.8°	120.2°
C6	C3	C4	131.4°	133.4°
C6	C3	C2	120.8°	120.2°
C3	C6	H6	119.9°	120.3°
C7	C8	C9	119.4°	120.6°
C7	C8	H8	120.3°	119.7°
C3	C4	C5	107.9°	106.4°
C4	C3	C2	107.8°	106.4°
C4	C5	C13	120.7°	119.5°
C4	C5	N1	107.9°	108.3°
C12	C13	C5	120.2°	120.4°
C12	C13	H13	119.9°	119.8°
C13	C12	H12	120.3°	119.7°
C3	C2	C9	120.7°	119.5°
C3	C2	N1	107.9°	108.3°
C13	C5	N1	131.4°	132.1°
C5	C13	H13	119.9°	119.8°
C5	N1	C2	108.4°	110.5°
C5	N1	H1	125.8°	124.8°
C8	C9	C2	120.1°	120.4°
C9	C8	H8	120.3°	119.7°
C8	C9	H9	119.9°	119.8°
C9	C2	N1	131.4°	132.1°
C2	C9	H9	119.9°	119.8°
C2	N1	H1	125.8°	124.8°
H9N	C31	H9O	109.4°	109.5°
H9N	C31	H31	109.5°	109.4°
H9O	C31	H31	109.5°	109.5°
H30	C30	H9L	109.4°	109.5°
H30	C30	H9M	109.5°	109.5°
H9L	C30	H9M	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C30	N27	C28	C26	179.9°	179.9°
C30	N27	C28	C29	180.0°	179.7°
C30	N27	C26	C25	180.0°	180.0°
C30	N27	C26	H26	0.1°	0.0°
N27	C30	H30	H9L	120.0°	120.0°
N27	C30	H30	H9M	120.0°	120.0°
N27	C30	H9L	H9M	120.0°	120.0°
C30	N27	C28	H28	0.1°	0.0°
N27	C28	C29	H28	180.0°	179.7°
N27	C28	C29	C24	0.0°	0.6°
C28	N27	C26	C25	0.0°	0.1°
C28	N27	C26	H26	180.0°	180.0°
C28	N27	C30	H30	180.0°	90.0°
C28	N27	C30	H9L	60.0°	30.0°
C28	N27	C30	H9M	60.0°	150.0°
N27	C28	C29	H29	180.0°	179.9°
C29	C28	N27	C26	0.0°	0.3°
C28	C29	C24	H29	180.0°	179.5°
C28	C29	C24	C25	0.0°	0.5°
C28	C29	C24	C23	179.9°	179.7°
N27	C26	C25	H26	180.0°	180.0°
N27	C26	C25	C24	0.0°	0.0°
N27	C26	C25	H25	180.0°	180.0°
C26	N27	C30	H30	0.0°	90.1°
C26	N27	C30	H9L	119.9°	149.9°
C26	N27	C30	H9M	120.0°	30.0°
C26	N27	C28	H28	180.0°	180.0°
C29	C24	C25	C26	0.0°	0.2°
C29	C24	C25	C23	179.9°	179.8°
C29	C24	C23	C22	143.3°	0.2°
C29	C24	C23	H23	36.7°	179.7°
C29	C24	C25	H25	180.0°	179.8°
C24	C29	C28	H28	180.0°	179.7°
C26	C25	C24	H25	180.0°	180.0°
C26	C25	C24	C23	179.9°	180.0°
C25	C24	C23	C22	36.8°	180.0°
C25	C24	C23	H23	143.2°	0.1°
C24	C25	C26	H26	180.0°	180.0°
C25	C24	C29	H29	180.0°	180.0°
C24	C23	C22	H23	180.0°	179.9°
C24	C23	C22	C11	163.2°	NaN°
C24	C23	C22	H22	16.8°	0.1°
C23	C24	C25	H25	0.1°	0.0°
C23	C24	C29	H29	0.1°	0.2°
C21	C20	N19	H20	180.0°	179.7°
C21	C20	N19	C31	180.0°	180.0°
C20	C21	C16	H21	180.0°	179.7°
C21	C20	N19	C18	0.0°	0.0°
C20	C21	C16	C15	179.7°	180.0°
C20	C21	C16	C17	0.0°	0.6°
C20	N19	C31	C18	180.0°	180.0°
N19	C20	C21	C16	0.0°	0.3°
C20	N19	C18	C17	0.0°	0.0°
C20	N19	C18	H18	180.0°	180.0°
C20	N19	C31	H9N	180.0°	90.0°
C20	N19	C31	H9O	60.0°	30.0°
C20	N19	C31	H31	60.0°	150.0°
N19	C20	C21	H21	179.9°	180.0°
C23	C22	C11	H22	180.0°	179.9°
C23	C22	C11	C10	45.4°	180.0°
C23	C22	C11	C12	134.7°	0.1°
C31	N19	C18	C17	180.0°	180.0°
C31	N19	C18	H18	0.0°	0.0°
N19	C31	H9N	H9O	120.0°	120.0°
N19	C31	H9N	H31	120.0°	120.0°
N19	C31	H9O	H31	120.0°	120.0°
C31	N19	C20	H20	0.0°	0.3°
C21	C16	C15	C17	179.7°	179.4°
C21	C16	C17	C18	0.0°	0.6°
C21	C16	C15	C14	149.7°	180.0°
C21	C16	C17	H17	180.0°	179.7°
C16	C21	C20	H20	180.0°	180.0°
C21	C16	C15	H2	30.4°	0.1°
C22	C11	C10	C12	179.9°	179.9°
C22	C11	C10	C4	180.0°	180.0°
C22	C11	C12	C13	180.0°	179.7°
C22	C11	C10	H10	0.0°	0.0°
C22	C11	C12	H12	0.0°	0.1°
C11	C22	C23	H23	16.8°	0.1°
N19	C18	C17	C16	0.0°	0.3°
N19	C18	C17	H18	180.0°	180.0°
N19	C18	C17	H17	180.0°	180.0°
C18	N19	C31	H9N	0.0°	90.0°
C18	N19	C31	H9O	120.0°	150.0°
C18	N19	C31	H31	120.0°	30.0°
C18	N19	C20	H20	180.0°	179.8°
C15	C16	C17	C18	179.7°	180.0°
C16	C15	C14	H2	180.0°	180.0°
C16	C15	C14	C7	158.7°	180.0°
C15	C16	C17	H17	0.3°	0.3°
C15	C16	C21	H21	0.3°	0.3°
C16	C15	C14	H3	21.3°	0.0°
C16	C17	C18	H17	180.0°	179.7°
C17	C16	C15	C14	30.7°	0.6°
C16	C17	C18	H18	180.0°	179.7°
C17	C16	C21	H21	180.0°	179.7°
C17	C16	C15	H2	149.3°	179.5°
C15	C14	C7	H3	180.0°	179.9°
C15	C14	C7	C6	56.3°	179.8°
C15	C14	C7	C8	123.6°	0.0°
C11	C10	C4	H10	180.0°	180.0°
C11	C10	C4	C3	180.0°	180.0°
C11	C10	C4	C5	0.1°	0.2°
C10	C11	C12	C13	0.1°	0.1°
C10	C11	C12	H12	179.9°	180.0°
C10	C11	C22	H22	134.6°	0.1°
C4	C10	C11	C12	0.1°	0.1°
C10	C4	C3	C6	0.0°	0.0°
C10	C4	C3	C5	180.0°	179.8°
C10	C4	C3	C2	180.0°	179.9°
C10	C4	C5	C13	0.0°	0.1°
C10	C4	C5	N1	180.0°	179.8°
C11	C12	C13	H12	180.0°	179.8°
C11	C12	C13	C5	0.0°	0.2°
C12	C11	C10	H10	179.9°	179.9°
C11	C12	C13	H13	180.0°	179.8°
C12	C11	C22	H22	45.3°	179.9°
C14	C7	C6	C8	179.9°	179.8°
C14	C7	C6	C3	179.9°	180.0°
C14	C7	C8	C9	179.9°	179.9°
C7	C14	C15	H2	21.3°	0.0°
C14	C7	C6	H6	0.1°	0.0°
C14	C7	C8	H8	0.1°	0.0°
C7	C6	C3	H6	180.0°	180.0°
C7	C6	C3	C4	180.0°	180.0°
C7	C6	C3	C2	0.0°	0.0°
C6	C7	C8	C9	0.0°	0.1°
C6	C7	C14	H3	123.7°	0.3°
C6	C7	C8	H8	180.0°	179.8°
C3	C6	C7	C8	0.0°	0.2°
C6	C3	C4	C2	180.0°	180.0°
C6	C3	C4	C5	180.0°	179.8°
C6	C3	C2	C9	0.0°	0.2°
C6	C3	C2	N1	180.0°	180.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C2	0.0°	0.1°
C8	C7	C14	H3	56.5°	179.9°
C8	C7	C6	H6	180.0°	179.8°
C7	C8	C9	H9	180.0°	180.0°
C3	C4	C5	C13	180.0°	180.0°
C3	C4	C5	N1	0.0°	0.4°
C4	C3	C2	C9	180.0°	179.7°
C4	C3	C2	N1	0.0°	0.0°
C4	C3	C6	H6	0.0°	0.0°
C3	C4	C10	H10	0.0°	0.1°
C4	C5	C13	C12	0.0°	0.1°
C5	C4	C3	C2	0.0°	0.2°
C4	C5	C13	N1	180.0°	179.5°
C4	C5	N1	C2	0.0°	0.4°
C4	C5	N1	H1	180.0°	179.6°
C5	C4	C10	H10	179.9°	179.7°
C4	C5	C13	H13	180.0°	180.0°
C12	C13	C5	H13	180.0°	179.9°
C12	C13	C5	N1	180.0°	179.4°
C3	C2	N1	C5	0.0°	0.2°
C3	C2	C9	C8	0.0°	0.3°
C3	C2	C9	N1	180.0°	179.7°
C2	C3	C6	H6	180.0°	180.0°
C3	C2	C9	H9	180.0°	179.8°
C3	C2	N1	H1	180.0°	179.8°
C13	C5	N1	C2	180.0°	180.0°
C13	C5	N1	H1	0.0°	0.0°
C5	C13	C12	H12	180.0°	179.9°
C5	N1	C2	C9	180.0°	179.9°
C5	N1	C2	H1	180.0°	180.0°
N1	C5	C13	H13	0.0°	0.5°
C8	C9	C2	H9	180.0°	179.9°
C8	C9	C2	N1	180.0°	180.0°
C2	C9	C8	H8	180.0°	180.0°
C9	C2	N1	H1	0.0°	0.1°
N1	C2	C9	H9	0.0°	0.1°
H17	C17	C18	H18	0.0°	0.0°
H9N	C31	H9O	H31	120.0°	120.0°
H20	C20	C21	H21	0.0°	0.3°
H2	C15	C14	H3	158.7°	179.9°
H8	C8	C9	H9	0.0°	0.1°
H13	C13	C12	H12	0.0°	0.0°
H22	C22	C23	H23	163.2°	NaN°
H25	C25	C26	H26	0.0°	0.1°
H30	C30	H9L	H9M	120.0°	120.0°
H28	C28	C29	H29	0.0°	0.2°

Release date:	2019-10-23
Definition date:	2019-02-25
Last modified:	2019-10-18
Release status:	REL
Processing site:	PDBJ
Derived from:	6JJ0