30L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	N7	sing	1.22Å	1.22Å
O8	N7	doub	1.22Å	1.22Å
N7	C6	sing	1.48Å	1.37Å
C10	C6	doub	1.38Å	1.40Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C6	C5	sing	1.38Å	1.40Å	Aromatic
C11	C12	doub	1.38Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.39Å	Aromatic
C12	C4	sing	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.51Å	1.54Å
C3	N1	sing	1.47Å	1.45Å
O20	C19	doub	1.22Å	1.22Å
C19	N1	sing	1.35Å	1.35Å
C19	C21	sing	1.47Å	1.51Å
C22	C21	doub	1.40Å	1.40Å	Aromatic
C22	C24	sing	1.38Å	1.39Å	Aromatic
C21	C30	sing	1.40Å	1.40Å	Aromatic
C24	C26	doub	1.39Å	1.39Å	Aromatic
O34	C33	doub	1.21Å	1.32Å
C30	O31	sing	1.36Å	1.38Å
C30	C28	doub	1.39Å	1.39Å	Aromatic
O31	C32	sing	1.43Å	1.43Å
C26	C28	sing	1.38Å	1.40Å	Aromatic
C26	F27	sing	1.35Å	1.32Å
C33	C32	sing	1.51Å	1.50Å
C33	O36	sing	1.34Å	1.23Å
N1	H1	sing	0.97Å	1.00Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C22	H8	sing	1.08Å	1.08Å
C24	H9	sing	1.08Å	1.08Å
C28	H10	sing	1.08Å	1.08Å
C32	H11	sing	1.09Å	1.10Å
C32	H12	sing	1.09Å	1.10Å
O36	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	N7	O8	122.7°	120.0°
O9	N7	C6	119.2°	120.0°
O8	N7	C6	118.1°	120.0°
N7	C6	C10	120.8°	120.1°
N7	C6	C5	119.8°	120.0°
C6	C10	C11	119.6°	120.1°
C10	C6	C5	119.5°	120.0°
C6	C10	H5	120.2°	120.0°
C10	C11	C12	120.3°	119.9°
C11	C10	H5	120.2°	119.9°
C10	C11	H6	119.8°	120.1°
C6	C5	C4	121.5°	120.0°
C6	C5	H4	119.2°	120.0°
C11	C12	C4	120.5°	120.0°
C12	C11	H6	119.8°	120.0°
C11	C12	H7	119.8°	120.0°
C5	C4	C12	118.6°	120.0°
C5	C4	C3	117.9°	120.0°
C4	C5	H4	119.3°	120.0°
C12	C4	C3	123.5°	120.0°
C4	C12	H7	119.7°	120.0°
C4	C3	N1	112.4°	109.5°
C4	C3	H2	108.7°	109.5°
C4	C3	H3	108.7°	109.5°
C3	N1	C19	120.7°	120.0°
C3	N1	H1	119.7°	120.0°
N1	C3	H2	108.7°	109.4°
N1	C3	H3	108.7°	109.4°
O20	C19	N1	122.7°	120.0°
O20	C19	C21	120.5°	120.0°
N1	C19	C21	116.7°	120.0°
C19	N1	H1	119.6°	120.0°
C19	C21	C22	119.3°	120.2°
C19	C21	C30	121.2°	120.2°
C21	C22	C24	121.1°	120.0°
C22	C21	C30	119.5°	119.6°
C21	C22	H8	119.4°	120.0°
C22	C24	C26	118.6°	120.3°
C24	C22	H8	119.4°	120.1°
C22	C24	H9	120.7°	119.8°
C21	C30	O31	118.2°	120.2°
C21	C30	C28	119.9°	119.7°
C24	C26	C28	121.3°	120.3°
C24	C26	F27	119.0°	119.9°
C26	C24	H9	120.7°	119.8°
O34	C33	C32	117.7°	120.0°
O34	C33	O36	123.5°	119.9°
O31	C30	C28	121.8°	120.1°
C30	O31	C32	117.5°	117.0°
C30	C28	C26	119.6°	120.1°
C30	C28	H10	120.2°	120.0°
O31	C32	C33	111.8°	109.4°
O31	C32	H11	108.9°	109.5°
O31	C32	H12	108.9°	109.5°
C28	C26	F27	119.7°	119.9°
C26	C28	H10	120.2°	119.9°
C32	C33	O36	118.8°	120.0°
C33	C32	H11	108.9°	109.4°
C33	C32	H12	108.9°	109.5°
C33	O36	H13	109.5°	117.0°
H2	C3	H3	109.5°	109.5°
H11	C32	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	N7	O8	C6	179.7°	180.0°
O9	N7	C6	C10	12.6°	0.0°
O9	N7	C6	C5	168.4°	180.0°
O8	N7	C6	C10	167.1°	179.9°
O8	N7	C6	C5	11.9°	0.0°
N7	C6	C10	C5	179.0°	180.0°
N7	C6	C10	C11	179.5°	180.0°
N7	C6	C5	C4	180.0°	180.0°
N7	C6	C5	H4	0.0°	0.0°
N7	C6	C10	H5	0.5°	0.0°
C6	C10	C11	H5	180.0°	180.0°
C6	C10	C11	C12	0.4°	0.2°
C10	C6	C5	C4	1.0°	0.1°
C10	C6	C5	H4	178.9°	180.0°
C6	C10	C11	H6	179.6°	180.0°
C11	C10	C6	C5	0.6°	0.0°
C10	C11	C12	H6	180.0°	179.8°
C10	C11	C12	C4	0.7°	0.5°
C10	C11	C12	H7	179.3°	180.0°
C6	C5	C4	H4	180.0°	179.9°
C6	C5	C4	C12	1.3°	0.3°
C6	C5	C4	C3	179.7°	180.0°
C5	C6	C10	H5	179.5°	180.0°
C11	C12	C4	C5	1.2°	0.5°
C11	C12	C4	H7	180.0°	179.5°
C11	C12	C4	C3	179.9°	179.8°
C12	C11	C10	H5	179.6°	179.8°
C5	C4	C12	C3	178.9°	179.7°
C5	C4	C3	N1	176.9°	90.1°
C5	C4	C3	H2	62.7°	29.9°
C5	C4	C3	H3	56.5°	150.0°
C5	C4	C12	H7	178.8°	180.0°
C12	C4	C3	N1	4.2°	90.3°
C12	C4	C3	H2	116.2°	149.7°
C12	C4	C3	H3	124.6°	29.7°
C12	C4	C5	H4	178.6°	179.7°
C4	C12	C11	H6	179.3°	179.7°
C4	C3	N1	H2	120.5°	120.1°
C4	C3	N1	H3	120.4°	120.0°
C4	C3	N1	C19	101.0°	179.7°
C4	C3	N1	H1	79.0°	0.1°
C4	C3	H2	H3	118.7°	120.1°
C3	C4	C5	H4	0.3°	0.0°
C3	C4	C12	H7	0.1°	0.3°
C3	N1	C19	O20	2.8°	0.3°
C3	N1	C19	H1	180.0°	179.6°
C3	N1	C19	C21	178.9°	179.7°
N1	C3	H2	H3	118.6°	119.9°
O20	C19	N1	C21	176.0°	180.0°
O20	C19	C21	C22	40.4°	179.7°
O20	C19	C21	C30	141.9°	0.0°
O20	C19	N1	H1	177.2°	180.0°
N1	C19	C21	C22	135.7°	0.2°
N1	C19	C21	C30	42.0°	180.0°
C19	N1	C3	H2	19.5°	59.7°
C19	N1	C3	H3	138.6°	60.3°
C19	C21	C22	C30	177.7°	179.7°
C19	C21	C22	C24	178.4°	180.0°
C19	C21	C30	O31	4.9°	0.0°
C19	C21	C30	C28	178.2°	179.8°
C21	C19	N1	H1	1.2°	0.1°
C19	C21	C22	H8	1.6°	0.0°
C21	C22	C24	H8	180.0°	180.0°
C21	C22	C24	C26	0.1°	0.0°
C22	C21	C30	O31	177.4°	179.8°
C22	C21	C30	C28	0.5°	0.5°
C21	C22	C24	H9	179.9°	180.0°
C24	C22	C21	C30	0.7°	0.2°
C22	C24	C26	H9	180.0°	179.9°
C22	C24	C26	C28	0.5°	0.1°
C22	C24	C26	F27	179.8°	180.0°
C21	C30	O31	C28	176.8°	179.7°
C21	C30	O31	C32	151.6°	180.0°
C21	C30	C28	C26	0.1°	0.5°
C30	C21	C22	H8	179.3°	179.8°
C21	C30	C28	H10	179.9°	179.7°
C24	C26	C28	C30	0.6°	0.2°
C24	C26	C28	F27	179.7°	179.9°
C26	C24	C22	H8	179.9°	179.9°
C24	C26	C28	H10	179.4°	180.0°
O34	C33	C32	O31	16.2°	0.1°
O34	C33	C32	O36	179.2°	179.9°
O34	C33	C32	H11	136.5°	120.0°
O34	C33	C32	H12	104.2°	119.9°
O34	C33	O36	H13	0.0°	0.1°
O31	C30	C28	C26	176.6°	179.8°
C30	O31	C32	C33	74.3°	180.0°
O31	C30	C28	H10	3.4°	0.0°
C30	O31	C32	H11	46.1°	60.0°
C30	O31	C32	H12	165.4°	60.0°
C28	C30	O31	C32	31.6°	0.3°
C30	C28	C26	H10	180.0°	179.8°
C30	C28	C26	F27	179.6°	179.8°
O31	C32	C33	H11	120.3°	120.0°
O31	C32	C33	H12	120.3°	120.0°
O31	C32	C33	O36	164.6°	180.0°
O31	C32	H11	H12	119.0°	120.1°
C28	C26	C24	H9	179.5°	180.0°
F27	C26	C24	H9	0.2°	0.0°
F27	C26	C28	H10	0.3°	0.0°
C33	C32	H11	H12	118.9°	120.0°
C32	C33	O36	H13	179.1°	180.0°
O36	C33	C32	H11	44.3°	60.0°
O36	C33	C32	H12	75.0°	60.0°
H1	N1	C3	H2	160.5°	120.0°
H1	N1	C3	H3	41.4°	120.1°
H5	C10	C11	H6	0.4°	0.1°
H6	C11	C12	H7	0.7°	0.2°
H8	C22	C24	H9	0.1°	0.0°

Release date:	2015-07-22
Definition date:	2014-05-12
Last modified:	2015-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4QBX