794

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O35	C30	sing	1.34Å	1.29Å
O35	H35	sing	0.97Å	0.95Å
C30	O36	doub	1.21Å	1.25Å
C30	C19	sing	1.49Å	1.54Å
C19	O34	doub	1.21Å	1.25Å
C19	N18	sing	1.35Å	1.48Å
N18	C20	sing	1.39Å	1.44Å
N18	C11	sing	1.39Å	1.41Å
C20	C21	doub	1.39Å	1.46Å	Aromatic
C20	C25	sing	1.40Å	1.50Å	Aromatic
C21	C22	sing	1.38Å	1.43Å	Aromatic
C21	H21	sing	1.08Å	1.10Å
C22	C23	doub	1.39Å	1.41Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C23	C24	sing	1.38Å	1.42Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
C24	C25	doub	1.40Å	1.45Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
C25	C31	sing	1.47Å	1.50Å
C31	O32	doub	1.22Å	1.24Å
C31	O33	sing	1.35Å	1.20Å
O33	H33	sing	0.97Å	0.95Å
C11	C12	doub	1.38Å	1.44Å	Aromatic
C11	C1	sing	1.41Å	1.46Å	Aromatic
C12	C13	sing	1.39Å	1.43Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.36Å	1.42Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C2	sing	1.41Å	1.44Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C2	C1	doub	1.42Å	1.47Å	Aromatic
C2	C3	sing	1.41Å	1.42Å	Aromatic
C1	C6	sing	1.40Å	1.45Å	Aromatic
C6	C5	doub	1.36Å	1.42Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	C4	sing	1.39Å	1.44Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C4	C3	doub	1.36Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C3	H3	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C30	O35	H35	121.2°	120.0°
O35	C30	O36	121.3°	120.0°
O35	C30	C19	122.1°	120.0°
O36	C30	C19	116.6°	120.0°
C30	C19	O34	112.8°	120.0°
C30	C19	N18	122.8°	120.0°
O34	C19	N18	124.4°	120.0°
C19	N18	C20	119.2°	120.0°
C19	N18	C11	121.1°	120.0°
C20	N18	C11	119.7°	120.0°
N18	C20	C21	117.2°	120.1°
N18	C20	C25	125.2°	120.2°
N18	C11	C12	118.2°	120.3°
N18	C11	C1	122.8°	120.3°
C21	C20	C25	117.5°	119.7°
C20	C21	C22	121.7°	120.1°
C20	C21	H21	120.0°	120.0°
C20	C25	C24	118.1°	119.6°
C20	C25	C31	124.4°	120.2°
C22	C21	H21	118.3°	120.0°
C21	C22	C23	120.3°	120.4°
C21	C22	H22	120.6°	119.8°
C23	C22	H22	119.1°	119.8°
C22	C23	C24	120.7°	120.4°
C22	C23	H23	119.4°	119.8°
C24	C23	H23	119.9°	119.8°
C23	C24	C25	121.7°	119.9°
C23	C24	H24	117.9°	120.1°
C25	C24	H24	120.4°	120.0°
C24	C25	C31	117.4°	120.1°
C25	C31	O32	120.4°	120.0°
C25	C31	O33	118.7°	120.0°
O32	C31	O33	120.9°	120.0°
C31	O33	H33	118.7°	120.0°
C12	C11	C1	119.0°	119.4°
C11	C12	C13	121.6°	120.8°
C11	C12	H12	119.4°	119.6°
C11	C1	C2	118.8°	119.3°
C11	C1	C6	122.3°	121.2°
C13	C12	H12	119.0°	119.6°
C12	C13	C14	119.8°	121.1°
C12	C13	H13	120.5°	119.5°
C14	C13	H13	119.7°	119.4°
C13	C14	C2	120.8°	120.0°
C13	C14	H14	119.2°	120.1°
C2	C14	H14	120.1°	120.0°
C14	C2	C1	120.1°	119.5°
C14	C2	C3	119.9°	121.2°
C1	C2	C3	120.1°	119.3°
C2	C1	C6	118.9°	119.4°
C2	C3	C4	120.6°	119.7°
C2	C3	H3	119.9°	120.2°
C1	C6	C5	119.6°	119.7°
C1	C6	H6	121.2°	120.2°
C5	C6	H6	119.3°	120.1°
C6	C5	C4	120.8°	120.9°
C6	C5	H5	118.9°	119.6°
C4	C5	H5	120.3°	119.5°
C5	C4	C3	120.2°	121.0°
C5	C4	H4	120.9°	119.5°
C3	C4	H4	119.0°	119.5°
C4	C3	H3	119.5°	120.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O35	C30	O36	C19	177.1°	179.9°
O35	C30	C19	O34	122.3°	0.1°
O35	C30	C19	N18	58.4°	180.0°
H35	O35	C30	O36	180.0°	0.1°
H35	O35	C30	C19	3.0°	180.0°
O36	C30	C19	O34	60.7°	180.0°
O36	C30	C19	N18	118.7°	0.1°
C30	C19	O34	N18	179.3°	180.0°
C30	C19	N18	C20	178.5°	179.9°
C30	C19	N18	C11	1.0°	0.1°
O34	C19	N18	C20	0.8°	0.0°
O34	C19	N18	C11	179.7°	180.0°
C19	N18	C20	C11	179.5°	180.0°
C19	N18	C20	C21	113.6°	98.2°
C19	N18	C20	C25	65.5°	82.1°
C19	N18	C11	C12	103.6°	96.2°
C19	N18	C11	C1	76.4°	84.0°
N18	C20	C21	C25	179.1°	179.7°
N18	C20	C21	C22	179.4°	180.0°
N18	C20	C21	H21	0.6°	0.1°
N18	C20	C25	C24	179.0°	179.7°
N18	C20	C25	C31	1.0°	0.3°
C20	N18	C11	C12	76.9°	83.8°
C20	N18	C11	C1	103.1°	96.0°
C11	N18	C20	C21	66.0°	81.9°
C11	N18	C20	C25	115.0°	97.8°
N18	C11	C12	C1	180.0°	179.7°
N18	C11	C12	C13	179.9°	180.0°
N18	C11	C12	H12	0.1°	0.1°
N18	C11	C1	C2	180.0°	179.8°
N18	C11	C1	C6	0.0°	0.5°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.3°	0.0°
C20	C21	C22	H22	179.7°	180.0°
C21	C20	C25	C24	0.0°	0.5°
C21	C20	C25	C31	180.0°	180.0°
C25	C20	C21	C22	0.3°	0.3°
C25	C20	C21	H21	179.7°	179.8°
C20	C25	C24	C23	0.3°	0.6°
C20	C25	C24	C31	180.0°	179.5°
C20	C25	C24	H24	179.7°	179.7°
C20	C25	C31	O32	178.2°	5.5°
C20	C25	C31	O33	1.9°	174.5°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	0.0°	0.0°
C21	C22	C23	H23	180.0°	180.0°
H21	C21	C22	C23	179.7°	180.0°
H21	C21	C22	H22	0.3°	0.0°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C25	0.4°	0.3°
C22	C23	C24	H24	179.6°	180.0°
H22	C22	C23	C24	180.0°	180.0°
H22	C22	C23	H23	0.0°	0.1°
C23	C24	C25	H24	180.0°	179.8°
C23	C24	C25	C31	179.7°	180.0°
H23	C23	C24	C25	179.6°	179.7°
H23	C23	C24	H24	0.4°	0.1°
C24	C25	C31	O32	1.7°	174.0°
C24	C25	C31	O33	178.2°	6.0°
H24	C24	C25	C31	0.3°	0.2°
C25	C31	O32	O33	179.9°	180.0°
C25	C31	O33	H33	180.0°	180.0°
O32	C31	O33	H33	0.1°	0.0°
C11	C12	C13	H12	179.9°	179.9°
C11	C12	C13	C14	0.0°	0.1°
C11	C12	C13	H13	179.9°	179.9°
C12	C11	C1	C2	0.1°	0.5°
C12	C11	C1	C6	180.0°	179.8°
C1	C11	C12	C13	0.1°	0.2°
C1	C11	C12	H12	179.9°	179.9°
C11	C1	C2	C14	0.1°	0.5°
C11	C1	C2	C6	180.0°	179.3°
C11	C1	C2	C3	179.9°	179.8°
C11	C1	C6	C5	179.9°	179.8°
C11	C1	C6	H6	0.1°	0.4°
C12	C13	C14	H13	179.9°	179.9°
C12	C13	C14	C2	0.1°	0.1°
C12	C13	C14	H14	179.8°	179.9°
H12	C12	C13	C14	180.0°	179.9°
H12	C12	C13	H13	0.0°	0.0°
C13	C14	C2	H14	179.9°	180.0°
C13	C14	C2	C1	0.2°	0.2°
C13	C14	C2	C3	179.8°	180.0°
H13	C13	C14	C2	179.9°	179.9°
H13	C13	C14	H14	0.1°	0.1°
C14	C2	C1	C3	180.0°	179.8°
C14	C2	C1	C6	179.9°	179.8°
C14	C2	C3	C4	179.9°	180.0°
C14	C2	C3	H3	0.0°	0.1°
H14	C14	C2	C1	179.8°	179.8°
H14	C14	C2	C3	0.2°	0.1°
C2	C1	C6	C5	0.1°	0.5°
C2	C1	C6	H6	179.8°	179.7°
C1	C2	C3	C4	0.1°	0.3°
C1	C2	C3	H3	180.0°	179.8°
C3	C2	C1	C6	0.1°	0.5°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	H4	179.9°	179.9°
C1	C6	C5	H6	180.0°	179.8°
C1	C6	C5	C4	0.1°	0.3°
C1	C6	C5	H5	179.9°	179.8°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.1°	0.1°
C6	C5	C4	H4	179.9°	179.9°
H6	C6	C5	C4	179.8°	179.9°
H6	C6	C5	H5	0.1°	0.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	H3	180.0°	180.0°
H5	C5	C4	C3	179.9°	180.0°
H5	C5	C4	H4	0.1°	0.0°
H4	C4	C3	H3	0.1°	0.0°

Definition date:	2003-01-30
Last modified:	2020-05-26
Release status:	REL
Processing site:	RCSB
Derived from:	1NO6