9BC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	C7	doub	1.22Å	1.27Å
C10	C11	sing	1.53Å	1.53Å
C10	N3	sing	1.47Å	1.46Å
C11	O12	sing	1.43Å	1.41Å
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
O12	N13	sing	1.42Å	1.43Å
C4	N3	sing	1.47Å	1.61Å
C4	C5	sing	1.50Å	1.44Å
C7	C5	sing	1.47Å	1.52Å
C7	O08	sing	1.35Å	1.26Å
C16	C15	doub	1.40Å	1.39Å	Aromatic
N3	C2	sing	1.47Å	1.31Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.32Å	1.55Å
C15	C20	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.48Å	1.55Å
C2	C1	sing	1.53Å	1.64Å
N13	C14	doub	1.30Å	1.27Å
C14	C21	sing	1.48Å	1.54Å
C6	C1	sing	1.50Å	1.40Å
C21	C22	doub	1.40Å	1.39Å	Aromatic
C21	C26	sing	1.39Å	1.38Å	Aromatic
C22	C23	sing	1.38Å	1.40Å	Aromatic
C26	C25	doub	1.38Å	1.39Å	Aromatic
C23	C24	doub	1.38Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.08Å	1.08Å
C17	H15	sing	1.08Å	1.08Å
C18	H16	sing	1.08Å	1.08Å
C19	H17	sing	1.08Å	1.08Å
C20	H18	sing	1.08Å	1.08Å
C22	H19	sing	1.08Å	1.08Å
C23	H20	sing	1.08Å	1.08Å
C24	H21	sing	1.08Å	1.08Å
C25	H22	sing	1.08Å	1.08Å
C26	H23	sing	1.08Å	1.08Å
O08	H25	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	C7	C5	119.8°	120.0°
O9	C7	O08	122.1°	120.0°
C11	C10	N3	110.0°	109.5°
C10	C11	O12	110.1°	109.5°
C11	C10	H10	109.3°	109.4°
C11	C10	H11	109.4°	109.5°
C10	C11	H12	109.3°	109.5°
C10	C11	H13	109.3°	109.5°
C10	N3	C4	108.2°	111.0°
C10	N3	C2	109.8°	111.0°
N3	C10	H10	109.3°	109.5°
N3	C10	H11	109.3°	109.5°
C11	O12	N13	115.3°	114.0°
O12	C11	H12	109.3°	109.4°
O12	C11	H13	109.3°	109.5°
C18	C17	C16	120.4°	120.1°
C17	C18	C19	119.8°	120.3°
C18	C17	H15	119.8°	119.9°
C17	C18	H16	120.2°	119.8°
C17	C16	C15	120.5°	119.9°
C17	C16	H14	119.7°	120.1°
C16	C17	H15	119.8°	120.0°
C18	C19	C20	119.6°	120.1°
C19	C18	H16	120.1°	119.9°
C18	C19	H17	120.2°	119.9°
O12	N13	C14	122.2°	120.0°
N3	C4	C5	116.2°	110.3°
C4	N3	C2	113.9°	110.2°
N3	C4	H5	107.7°	109.3°
N3	C4	H6	107.8°	109.3°
C4	C5	C7	117.4°	118.5°
C4	C5	C6	120.2°	123.1°
C5	C4	H5	107.8°	109.4°
C5	C4	H6	107.8°	109.3°
C5	C7	O08	118.1°	120.0°
C7	C5	C6	117.8°	118.4°
C7	O08	H25	109.5°	117.1°
C16	C15	C20	118.6°	119.7°
C16	C15	C14	122.2°	120.1°
C15	C16	H14	119.7°	120.0°
N3	C2	C1	111.2°	108.5°
N3	C2	H3	109.1°	109.7°
N3	C2	H4	109.0°	109.8°
C19	C20	C15	121.1°	119.9°
C20	C19	H17	120.2°	119.9°
C19	C20	H18	119.4°	120.1°
C5	C6	C1	117.0°	122.6°
C5	C6	H8	121.5°	118.7°
C20	C15	C14	119.3°	120.2°
C15	C20	H18	119.4°	120.0°
C15	C14	N13	121.6°	120.0°
C15	C14	C21	117.2°	120.0°
C2	C1	C6	110.5°	109.6°
C2	C1	H1	109.2°	109.5°
C2	C1	H2	109.2°	109.4°
C1	C2	H3	109.0°	109.6°
C1	C2	H4	109.0°	109.6°
N13	C14	C21	121.1°	120.0°
C14	C21	C22	122.0°	120.1°
C14	C21	C26	119.3°	120.1°
C6	C1	H1	109.2°	109.5°
C6	C1	H2	109.2°	109.4°
C1	C6	H8	121.5°	118.7°
C22	C21	C26	118.7°	119.8°
C21	C22	C23	120.2°	119.8°
C21	C22	H19	119.9°	120.1°
C21	C26	C25	121.3°	119.9°
C21	C26	H23	119.4°	120.1°
C22	C23	C24	120.4°	120.1°
C23	C22	H19	119.9°	120.1°
C22	C23	H20	119.8°	119.9°
C26	C25	C24	120.1°	120.1°
C26	C25	H22	119.9°	119.9°
C25	C26	H23	119.3°	120.1°
C23	C24	C25	119.2°	120.3°
C24	C23	H20	119.8°	119.9°
C23	C24	H21	120.4°	119.9°
C25	C24	H21	120.4°	119.8°
C24	C25	H22	120.0°	120.0°
H1	C1	H2	109.5°	109.4°
H3	C2	H4	109.5°	109.7°
H5	C4	H6	109.5°	109.2°
H10	C10	H11	109.5°	109.5°
H12	C11	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	C7	C5	C4	26.7°	180.0°
O9	C7	C5	O08	179.3°	180.0°
O9	C7	C5	C6	129.6°	0.0°
O9	C7	O08	H25	0.0°	0.0°
C11	C10	N3	H10	120.1°	119.9°
C11	C10	N3	H11	120.1°	120.0°
C10	C11	O12	H12	120.1°	120.0°
C10	C11	O12	H13	120.1°	120.0°
C10	C11	O12	N13	94.6°	174.6°
C11	C10	N3	C4	124.1°	76.0°
C11	C10	N3	C2	111.0°	161.1°
C11	C10	H10	H11	119.8°	120.0°
C10	C11	H12	H13	119.7°	120.1°
N3	C10	C11	O12	38.3°	67.6°
C10	N3	C4	C2	122.4°	123.4°
C10	N3	C4	C5	145.8°	174.7°
C10	N3	C2	C1	177.2°	167.1°
C10	N3	C2	H3	62.6°	73.2°
C10	N3	C2	H4	56.9°	47.3°
C10	N3	C4	H5	24.8°	65.1°
C10	N3	C4	H6	93.2°	54.4°
N3	C10	H10	H11	119.8°	120.1°
N3	C10	C11	H12	158.4°	172.5°
N3	C10	C11	H13	81.8°	52.4°
C11	O12	N13	C14	172.0°	178.1°
O12	C11	C10	H10	158.3°	172.4°
O12	C11	C10	H11	81.8°	52.5°
O12	C11	H12	H13	119.7°	120.0°
C18	C17	C16	H15	180.0°	180.0°
C17	C18	C19	H16	180.0°	180.0°
C18	C17	C16	C15	0.4°	0.0°
C17	C18	C19	C20	0.0°	0.0°
C18	C17	C16	H14	179.6°	180.0°
C17	C18	C19	H17	180.0°	180.0°
C16	C17	C18	C19	0.3°	0.0°
C17	C16	C15	H14	180.0°	180.0°
C17	C16	C15	C20	0.2°	0.0°
C17	C16	C15	C14	179.5°	179.7°
C16	C17	C18	H16	179.7°	180.0°
C18	C19	C20	H17	180.0°	180.0°
C18	C19	C20	C15	0.2°	0.0°
C19	C18	C17	H15	179.7°	180.0°
C18	C19	C20	H18	179.8°	179.7°
O12	N13	C14	C15	1.8°	173.7°
O12	N13	C14	C21	179.8°	6.2°
N13	O12	C11	H12	145.3°	65.4°
N13	O12	C11	H13	25.5°	54.6°
N3	C4	C5	H5	121.0°	120.2°
N3	C4	C5	H6	121.0°	120.2°
N3	C4	C5	C7	150.2°	162.9°
N3	C4	C5	C6	5.5°	17.1°
C4	N3	C2	C1	55.7°	69.5°
C4	N3	C2	H3	175.9°	50.3°
C4	N3	C2	H4	64.6°	170.8°
N3	C4	H5	H6	116.9°	119.6°
C4	N3	C10	H10	115.8°	164.1°
C4	N3	C10	H11	4.0°	44.0°
C4	C5	C7	C6	156.3°	180.0°
C4	C5	C7	O08	154.1°	0.1°
C5	C4	N3	C2	23.3°	51.3°
C4	C5	C6	C1	4.3°	0.3°
C5	C4	H5	H6	116.9°	119.6°
C4	C5	C6	H8	175.7°	179.7°
C7	C5	C6	C1	159.9°	179.6°
C7	C5	C4	H5	29.2°	42.7°
C7	C5	C4	H6	88.8°	76.9°
C7	C5	C6	H8	20.1°	0.3°
C5	C7	O08	H25	179.3°	180.0°
O08	C7	C5	C6	49.7°	180.0°
C16	C15	C20	C19	0.1°	0.0°
C16	C15	C20	C14	179.7°	179.7°
C16	C15	C14	N13	48.3°	169.8°
C16	C15	C14	C21	133.3°	10.3°
C15	C16	C17	H15	179.6°	180.0°
C16	C15	C20	H18	179.9°	179.7°
N3	C2	C1	H3	120.3°	119.8°
N3	C2	C1	H4	120.3°	119.9°
N3	C2	C1	C6	64.7°	49.3°
N3	C2	C1	H1	55.5°	70.7°
N3	C2	C1	H2	175.2°	169.3°
N3	C2	H3	H4	119.2°	120.6°
C2	N3	C4	H5	97.6°	171.5°
C2	N3	C4	H6	144.3°	69.0°
C2	N3	C10	H10	9.1°	41.1°
C2	N3	C10	H11	128.9°	78.9°
C19	C20	C15	H18	180.0°	179.7°
C19	C20	C15	C14	179.9°	179.7°
C20	C19	C18	H16	180.0°	180.0°
C5	C6	C1	C2	34.8°	16.6°
C5	C6	C1	H8	180.0°	179.9°
C5	C6	C1	H1	85.3°	103.5°
C5	C6	C1	H2	155.0°	136.6°
C6	C5	C4	H5	126.4°	137.3°
C6	C5	C4	H6	115.5°	103.2°
C20	C15	C14	N13	131.5°	9.9°
C20	C15	C14	C21	47.0°	170.0°
C20	C15	C16	H14	179.8°	180.0°
C15	C20	C19	H17	179.8°	180.0°
C15	C14	N13	C21	178.4°	179.9°
C15	C14	C21	C22	136.6°	39.2°
C15	C14	C21	C26	41.5°	141.0°
C14	C15	C16	H14	0.4°	0.3°
C14	C15	C20	H18	0.2°	0.0°
C2	C1	C6	H1	120.1°	120.1°
C2	C1	C6	H2	120.1°	120.0°
C2	C1	H1	H2	119.5°	119.9°
C1	C2	H3	H4	119.2°	120.3°
C2	C1	C6	H8	145.2°	163.5°
N13	C14	C21	C22	41.8°	140.7°
N13	C14	C21	C26	140.0°	39.1°
C14	C21	C22	C26	178.2°	179.7°
C14	C21	C22	C23	178.5°	180.0°
C14	C21	C26	C25	179.3°	179.7°
C14	C21	C22	H19	1.5°	0.0°
C14	C21	C26	H23	0.7°	0.1°
C6	C1	H1	H2	119.5°	119.9°
C6	C1	C2	H3	175.0°	70.4°
C6	C1	C2	H4	55.6°	169.2°
C21	C22	C23	H19	180.0°	180.0°
C22	C21	C26	C25	1.1°	0.6°
C21	C22	C23	C24	0.5°	0.1°
C21	C22	C23	H20	179.5°	180.0°
C22	C21	C26	H23	178.9°	179.7°
C26	C21	C22	C23	0.4°	0.3°
C21	C26	C25	H23	180.0°	179.7°
C21	C26	C25	C24	0.8°	0.6°
C26	C21	C22	H19	179.6°	179.8°
C21	C26	C25	H22	179.1°	179.7°
C22	C23	C24	H20	180.0°	179.9°
C22	C23	C24	C25	0.7°	0.1°
C22	C23	C24	H21	179.3°	179.9°
C26	C25	C24	C23	0.1°	0.3°
C26	C25	C24	H22	180.0°	179.7°
C26	C25	C24	H21	179.9°	179.7°
C23	C24	C25	H21	180.0°	180.0°
C24	C23	C22	H19	179.5°	179.9°
C23	C24	C25	H22	179.9°	180.0°
C25	C24	C23	H20	179.2°	180.0°
C24	C25	C26	H23	179.2°	179.7°
H1	C1	C2	H3	64.8°	169.5°
H1	C1	C2	H4	175.8°	49.1°
H1	C1	C6	H8	94.7°	76.4°
H2	C1	C2	H3	54.9°	49.6°
H2	C1	C2	H4	64.6°	70.8°
H2	C1	C6	H8	25.0°	43.5°
H10	C10	C11	H12	81.6°	52.5°
H10	C10	C11	H13	38.2°	67.6°
H11	C10	C11	H12	38.3°	67.5°
H11	C10	C11	H13	158.1°	172.5°
H14	C16	C17	H15	0.4°	0.0°
H15	C17	C18	H16	0.3°	0.0°
H16	C18	C19	H17	0.0°	0.0°
H17	C19	C20	H18	0.2°	0.3°
H19	C22	C23	H20	0.5°	0.0°
H20	C23	C24	H21	0.7°	0.0°
H21	C24	C25	H22	0.1°	0.0°
H22	C25	C26	H23	0.9°	0.0°

Release date:	2022-06-29
Definition date:	2022-01-13
Last modified:	2022-06-24
Release status:	REL
Processing site:	PDBJ
Derived from:	7WGT