J7G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	doub	1.38Å	1.40Å	Aromatic
C10	C5	sing	1.39Å	1.40Å	Aromatic
C9	N8	sing	1.32Å	1.35Å	Aromatic
C16	C15	doub	1.38Å	1.40Å	Aromatic
C16	C11	sing	1.40Å	1.41Å	Aromatic
N3	C5	sing	1.40Å	1.42Å
N3	C2	sing	1.35Å	1.35Å
C5	C6	doub	1.39Å	1.40Å	Aromatic
N8	C7	doub	1.32Å	1.35Å	Aromatic
N1	C2	sing	1.35Å	1.36Å
N1	C11	sing	1.40Å	1.42Å
C15	N14	sing	1.32Å	1.36Å	Aromatic
C2	O4	doub	1.22Å	1.23Å
C11	C12	doub	1.39Å	1.41Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C7	CL7	sing	1.74Å	1.74Å
N14	C13	doub	1.33Å	1.35Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C13	C18	sing	1.43Å	1.44Å
C18	C19	trip	1.17Å	1.20Å
C19	C20	sing	1.43Å	1.44Å
C20	C25	doub	1.40Å	1.40Å	Aromatic
C20	C21	sing	1.40Å	1.41Å	Aromatic
C25	C24	sing	1.38Å	1.41Å	Aromatic
C21	C22	doub	1.39Å	1.41Å	Aromatic
C24	C23	doub	1.38Å	1.41Å	Aromatic
C22	C23	sing	1.40Å	1.41Å	Aromatic
C22	C26	sing	1.48Å	1.52Å
O28	C26	doub	1.21Å	1.23Å
C26	O27	sing	1.35Å	1.35Å
C12	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C23	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.08Å	1.08Å
C25	H7	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
N3	H9	sing	0.97Å	1.00Å
C6	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
O27	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C5	119.8°	119.1°
C10	C9	N8	119.5°	120.9°
C10	C9	H11	120.3°	119.6°
C9	C10	H12	120.0°	120.5°
C10	C5	N3	117.6°	120.9°
C10	C5	C6	119.2°	118.3°
C5	C10	H12	120.1°	120.4°
C9	N8	C7	122.0°	121.9°
N8	C9	H11	120.3°	119.6°
C15	C16	C11	119.4°	119.4°
C16	C15	N14	118.9°	121.0°
C16	C15	H2	120.5°	119.5°
C15	C16	H3	120.3°	120.3°
C16	C11	N1	116.1°	120.8°
C16	C11	C12	119.7°	118.4°
C11	C16	H3	120.3°	120.3°
C5	N3	C2	129.5°	120.0°
N3	C5	C6	123.1°	120.8°
C5	N3	H9	115.2°	120.0°
N3	C2	N1	113.0°	120.0°
N3	C2	O4	123.0°	120.0°
C2	N3	H9	115.3°	120.0°
C5	C6	C7	118.6°	119.0°
C5	C6	H10	120.7°	120.5°
N8	C7	C6	120.7°	120.8°
N8	C7	CL7	119.3°	119.6°
C2	N1	C11	130.5°	120.0°
N1	C2	O4	123.8°	120.0°
C2	N1	H8	114.8°	120.0°
N1	C11	C12	124.1°	120.8°
C11	N1	H8	114.8°	120.1°
C15	N14	C13	123.9°	121.7°
N14	C15	H2	120.6°	119.5°
C11	C12	C13	118.8°	118.9°
C11	C12	H1	120.6°	120.5°
C6	C7	CL7	120.0°	119.6°
C7	C6	H10	120.7°	120.5°
N14	C13	C12	119.3°	120.6°
N14	C13	C18	117.8°	119.7°
C12	C13	C18	122.9°	119.7°
C13	C12	H1	120.6°	120.6°
C13	C18	C19	178.1°	180.0°
C18	C19	C20	179.0°	180.0°
C19	C20	C25	119.5°	120.1°
C19	C20	C21	120.4°	120.0°
C25	C20	C21	120.1°	119.8°
C20	C25	C24	119.8°	120.2°
C20	C25	H7	120.1°	119.9°
C20	C21	C22	120.6°	119.7°
C20	C21	H4	119.7°	120.2°
C25	C24	C23	119.9°	120.3°
C25	C24	H6	120.1°	119.9°
C24	C25	H7	120.1°	119.9°
C21	C22	C23	118.9°	119.8°
C21	C22	C26	120.9°	120.1°
C22	C21	H4	119.7°	120.1°
C24	C23	C22	120.8°	120.2°
C24	C23	H5	119.6°	119.9°
C23	C24	H6	120.0°	119.8°
C23	C22	C26	120.2°	120.1°
C22	C23	H5	119.6°	119.9°
C22	C26	O28	119.5°	120.0°
C22	C26	O27	119.8°	120.0°
O28	C26	O27	120.7°	120.0°
C26	O27	H13	109.5°	117.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C5	H12	180.0°	179.5°
C10	C9	N8	H11	180.0°	179.7°
C9	C10	C5	N3	179.3°	179.7°
C9	C10	C5	C6	2.5°	0.5°
C10	C9	N8	C7	0.2°	0.3°
C5	C10	C9	N8	1.3°	0.6°
C10	C5	N3	C6	176.7°	179.8°
C10	C5	N3	C2	171.7°	35.2°
C10	C5	C6	C7	2.2°	0.2°
C10	C5	N3	H9	8.3°	144.8°
C10	C5	C6	H10	177.8°	179.8°
C5	C10	C9	H11	178.7°	179.8°
C9	N8	C7	C6	0.5°	0.0°
C9	N8	C7	CL7	179.8°	180.0°
N8	C9	C10	H12	178.7°	180.0°
C15	C16	C11	H3	180.0°	180.0°
C15	C16	C11	N1	177.5°	179.7°
C16	C15	N14	H2	180.0°	180.0°
C15	C16	C11	C12	1.4°	0.1°
C16	C15	N14	C13	1.1°	0.0°
C16	C11	N1	C2	161.3°	26.2°
C16	C11	N1	C12	176.0°	179.7°
C11	C16	C15	N14	0.3°	0.0°
C16	C11	C12	C13	1.1°	0.0°
C16	C11	C12	H1	178.9°	180.0°
C11	C16	C15	H2	179.6°	180.0°
C16	C11	N1	H8	18.7°	153.8°
C5	N3	C2	H9	180.0°	180.0°
C5	N3	C2	N1	179.1°	175.6°
C5	N3	C2	O4	5.6°	4.7°
N3	C5	C6	C7	178.8°	180.0°
N3	C5	C6	H10	1.2°	0.0°
N3	C5	C10	H12	0.7°	0.2°
C2	N3	C5	C6	5.0°	145.1°
N3	C2	N1	O4	175.3°	179.7°
N3	C2	N1	C11	178.7°	174.5°
N3	C2	N1	H8	1.3°	5.5°
C5	C6	C7	N8	0.7°	0.0°
C5	C6	C7	H10	180.0°	180.0°
C5	C6	C7	CL7	178.6°	180.0°
C6	C5	N3	H9	175.0°	34.9°
C6	C5	C10	H12	177.5°	180.0°
N8	C7	C6	CL7	179.3°	180.0°
N8	C7	C6	H10	179.3°	179.9°
C7	N8	C9	H11	179.8°	180.0°
C2	N1	C11	H8	180.0°	180.0°
C2	N1	C11	C12	14.7°	154.2°
N1	C2	N3	H9	0.9°	4.3°
C11	N1	C2	O4	6.0°	5.8°
N1	C11	C12	C13	176.9°	179.7°
N1	C11	C12	H1	3.1°	0.3°
N1	C11	C16	H3	2.5°	0.3°
C15	N14	C13	C12	1.4°	0.0°
C15	N14	C13	C18	179.6°	180.0°
N14	C15	C16	H3	179.7°	180.0°
O4	C2	N1	H8	174.0°	174.2°
O4	C2	N3	H9	174.4°	175.4°
C11	C12	C13	N14	0.3°	0.0°
C11	C12	C13	H1	180.0°	180.0°
C11	C12	C13	C18	178.4°	180.0°
C12	C11	C16	H3	178.6°	180.0°
C12	C11	N1	H8	165.3°	25.8°
CL7	C7	C6	H10	1.4°	0.0°
N14	C13	C12	C18	178.2°	180.0°
N14	C13	C18	C19	3.6°	81.1°
N14	C13	C12	H1	179.7°	180.0°
C13	N14	C15	H2	178.9°	179.9°
C12	C13	C18	C19	178.2°	98.9°
C13	C18	C19	C20	151.5°	87.4°
C18	C13	C12	H1	1.6°	0.0°
C18	C19	C20	C25	117.2°	6.3°
C18	C19	C20	C21	61.4°	174.0°
C19	C20	C25	C21	178.5°	179.8°
C19	C20	C25	C24	178.6°	179.7°
C19	C20	C21	C22	178.8°	180.0°
C19	C20	C21	H4	1.2°	0.0°
C19	C20	C25	H7	1.4°	0.0°
C20	C25	C24	H7	180.0°	179.7°
C25	C20	C21	C22	0.3°	0.3°
C20	C25	C24	C23	0.3°	0.5°
C25	C20	C21	H4	179.7°	179.7°
C20	C25	C24	H6	179.7°	179.7°
C21	C20	C25	C24	0.0°	0.5°
C20	C21	C22	H4	180.0°	180.0°
C20	C21	C22	C23	0.3°	0.0°
C20	C21	C22	C26	178.0°	180.0°
C21	C20	C25	H7	180.0°	179.7°
C25	C24	C23	H6	180.0°	179.8°
C25	C24	C23	C22	0.4°	0.2°
C25	C24	C23	H5	179.6°	179.7°
C21	C22	C23	C24	0.1°	0.0°
C21	C22	C23	C26	178.2°	179.9°
C21	C22	C26	O28	11.8°	0.0°
C21	C22	C26	O27	169.2°	180.0°
C21	C22	C23	H5	179.9°	180.0°
C24	C23	C22	H5	180.0°	180.0°
C24	C23	C22	C26	178.3°	180.0°
C23	C24	C25	H7	179.7°	179.7°
C23	C22	C26	O28	166.4°	179.9°
C23	C22	C26	O27	12.7°	0.1°
C23	C22	C21	H4	179.7°	180.0°
C22	C23	C24	H6	179.6°	180.0°
C22	C26	O28	O27	179.0°	180.0°
C26	C22	C21	H4	2.1°	0.0°
C26	C22	C23	H5	1.7°	0.0°
C22	C26	O27	H13	179.0°	180.0°
O28	C26	O27	H13	0.0°	0.0°
H2	C15	C16	H3	0.4°	0.1°
H5	C23	C24	H6	0.4°	0.1°
H6	C24	C25	H7	0.3°	0.1°
H11	C9	C10	H12	1.3°	0.3°

Release date:	2018-10-31
Definition date:	2018-08-20
Last modified:	2018-10-26
Release status:	REL
Processing site:	RCSB
Derived from:	6EG3