62N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.48Å
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.46Å
F1	C15	sing	1.40Å	1.32Å
N1	C7	sing	1.35Å	1.34Å
C2	O2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.54Å
F2	C15	sing	1.40Å	1.32Å
N2	C7	sing	1.35Å	1.35Å
N2	C8	sing	1.35Å	1.35Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.54Å
F3	C15	sing	1.40Å	1.32Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.55Å
C5	O5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.54Å
C6	O6	sing	1.43Å	1.43Å
C7	O7	doub	1.22Å	1.24Å
C8	O8	doub	1.22Å	1.23Å
C8	C9	sing	1.48Å	1.53Å
C9	C10	doub	1.40Å	1.40Å	Aromatic
C9	C14	sing	1.40Å	1.40Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.40Å	Aromatic
C12	C15	sing	1.51Å	1.55Å
C13	C14	doub	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	111.2°	109.5°
N1	C1	O5	111.3°	109.5°
C1	N1	C7	121.4°	120.0°
N1	C1	H1	108.8°	109.5°
C1	N1	HN1	119.3°	120.0°
C2	C1	O5	108.2°	109.4°
C1	C2	O2	110.9°	109.5°
C1	C2	C3	109.1°	109.2°
C2	C1	H1	108.1°	109.4°
C1	C2	H2	108.0°	109.5°
C1	O5	C5	111.4°	114.1°
O5	C1	H1	109.2°	109.5°
F1	C15	F2	107.5°	109.5°
F1	C15	F3	109.5°	109.5°
F1	C15	C12	109.5°	109.5°
N1	C7	N2	115.7°	120.0°
N1	C7	O7	121.1°	120.0°
C7	N1	HN1	119.3°	120.0°
O2	C2	C3	111.4°	109.5°
O2	C2	H2	109.4°	109.5°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	110.7°	109.6°
C2	C3	C4	110.5°	109.1°
C3	C2	H2	108.0°	109.5°
C2	C3	H3	108.2°	109.5°
F2	C15	F3	107.9°	109.5°
F2	C15	C12	111.6°	109.5°
C7	N2	C8	125.6°	120.0°
N2	C7	O7	123.2°	120.0°
C7	N2	HN2	117.2°	120.0°
N2	C8	O8	125.6°	120.0°
N2	C8	C9	115.1°	120.0°
C8	N2	HN2	117.2°	120.0°
O3	C3	C4	109.4°	109.6°
O3	C3	H3	109.7°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	108.9°	109.5°
C3	C4	C5	111.7°	109.2°
C4	C3	H3	108.2°	109.6°
C3	C4	H4	108.5°	109.5°
F3	C15	C12	110.7°	109.5°
O4	C4	C5	109.4°	109.5°
O4	C4	H4	110.0°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	111.2°	109.4°
C4	C5	C6	113.7°	109.5°
C5	C4	H4	108.3°	109.5°
C4	C5	H5	108.1°	109.5°
O5	C5	C6	106.0°	109.5°
O5	C5	H5	109.6°	109.5°
C5	C6	O6	110.4°	109.5°
C6	C5	H5	108.2°	109.5°
C5	C6	H6	109.2°	109.5°
C5	C6	H6A	109.2°	109.5°
O6	C6	H6	109.2°	109.5°
O6	C6	H6A	109.2°	109.5°
C6	O6	HO6	109.5°	114.0°
O8	C8	C9	119.2°	120.0°
C8	C9	C10	119.6°	120.1°
C8	C9	C14	120.3°	120.1°
C10	C9	C14	120.0°	119.8°
C9	C10	C11	119.7°	119.8°
C9	C10	H10	120.1°	120.1°
C9	C14	C13	120.2°	119.8°
C9	C14	H14	119.9°	120.1°
C10	C11	C12	120.4°	120.2°
C11	C10	H10	120.1°	120.1°
C10	C11	H11	119.8°	119.9°
C11	C12	C13	119.7°	120.2°
C11	C12	C15	119.3°	119.9°
C12	C11	H11	119.8°	119.9°
C13	C12	C15	121.0°	119.9°
C12	C13	C14	119.9°	120.2°
C12	C13	H13	120.1°	119.9°
C14	C13	H13	120.1°	119.9°
C13	C14	H14	119.9°	120.1°
H6	C6	H6A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	O5	122.5°	120.0°
N1	C1	C2	H1	119.4°	120.1°
N1	C1	O5	H1	120.2°	120.1°
C1	N1	C7	HN1	180.0°	179.9°
N1	C1	C2	O2	52.3°	62.5°
N1	C1	C2	C3	175.3°	177.6°
C1	N1	C7	N2	179.0°	180.0°
N1	C1	O5	C5	170.8°	178.8°
C1	N1	C7	O7	1.4°	0.0°
N1	C1	C2	H2	67.6°	57.7°
C2	C1	O5	H1	117.4°	119.9°
C2	C1	N1	C7	144.1°	145.0°
C1	C2	O2	C3	121.7°	119.8°
C1	C2	O2	H2	119.0°	120.1°
C1	C2	C3	H2	117.1°	119.9°
C1	C2	C3	O3	175.4°	176.8°
C1	C2	C3	C4	54.0°	56.9°
C2	C1	O5	C5	66.7°	61.1°
C2	C1	N1	HN1	36.0°	35.1°
C1	C2	O2	HO2	180.0°	60.0°
C1	C2	C3	H3	64.4°	63.0°
O5	C1	N1	C7	95.3°	95.0°
O5	C1	C2	O2	174.8°	177.5°
O5	C1	C2	C3	62.2°	57.6°
C1	O5	C5	C4	61.0°	61.1°
C1	O5	C5	C6	174.9°	178.8°
O5	C1	N1	HN1	84.7°	84.9°
O5	C1	C2	H2	54.9°	62.4°
C1	O5	C5	H5	58.4°	58.8°
F1	C15	F2	F3	118.1°	120.0°
F1	C15	F2	C12	120.1°	120.0°
F1	C15	F3	C12	120.8°	120.0°
F1	C15	C12	C11	42.0°	90.0°
F1	C15	C12	C13	136.8°	90.0°
N1	C7	N2	O7	179.5°	180.0°
N1	C7	N2	C8	178.4°	NaN°
C7	N1	C1	H1	25.1°	25.0°
N1	C7	N2	HN2	1.6°	0.0°
O2	C2	C3	H2	120.2°	120.2°
O2	C2	C3	O3	61.9°	63.2°
O2	C2	C3	C4	176.7°	176.9°
O2	C2	C1	H1	67.1°	57.6°
O2	C2	C3	H3	58.3°	57.0°
C2	C3	O3	C4	122.1°	119.6°
C2	C3	O3	H3	119.3°	120.2°
C2	C3	C4	H3	118.3°	119.9°
C2	C3	C4	O4	169.3°	176.9°
C2	C3	C4	C5	48.4°	56.9°
C3	C2	C1	H1	55.9°	62.4°
C3	C2	O2	HO2	58.4°	179.7°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	H4	70.9°	63.0°
F2	C15	F3	C12	122.4°	120.0°
F2	C15	C12	C11	76.9°	30.0°
F2	C15	C12	C13	104.3°	150.0°
C7	N2	C8	HN2	180.0°	180.0°
C7	N2	C8	O8	2.1°	0.0°
C7	N2	C8	C9	179.0°	180.0°
N2	C7	N1	HN1	1.0°	0.0°
C8	N2	C7	O7	1.2°	0.0°
N2	C8	O8	C9	176.8°	180.0°
N2	C8	C9	C10	37.7°	180.0°
N2	C8	C9	C14	144.2°	0.3°
O3	C3	C4	H3	119.5°	120.2°
O3	C3	C4	O4	68.4°	63.2°
O3	C3	C4	C5	170.6°	176.8°
O3	C3	C2	H2	58.3°	57.0°
O3	C3	C4	H4	51.3°	56.9°
C3	C4	O4	C5	122.3°	119.7°
C3	C4	O4	H4	118.8°	120.2°
C3	C4	C5	H4	119.4°	119.9°
C3	C4	C5	O5	51.3°	57.6°
C3	C4	C5	C6	170.9°	177.6°
C4	C3	C2	H2	63.2°	62.9°
C4	C3	O3	HO3	57.9°	179.6°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	H5	69.0°	62.4°
F3	C15	C12	C11	162.9°	150.0°
F3	C15	C12	C13	15.9°	30.0°
O4	C4	C5	H4	119.9°	120.1°
O4	C4	C5	O5	172.0°	177.5°
O4	C4	C5	C6	68.5°	62.5°
O4	C4	C3	H3	51.1°	57.0°
O4	C4	C5	H5	51.6°	57.6°
C4	C5	O5	C6	124.0°	120.0°
C4	C5	O5	H5	119.5°	120.0°
C4	C5	C6	H5	120.1°	120.0°
C4	C5	C6	O6	45.6°	175.0°
C5	C4	C3	H3	69.9°	63.0°
C5	C4	O4	HO4	57.7°	179.8°
C4	C5	C6	H6	165.8°	55.0°
C4	C5	C6	H6A	74.5°	65.0°
O5	C5	C6	H5	117.5°	120.0°
O5	C5	C6	O6	76.9°	65.1°
C5	O5	C1	H1	50.7°	58.8°
O5	C5	C4	H4	68.1°	62.4°
O5	C5	C6	H6	43.3°	174.9°
O5	C5	C6	H6A	163.0°	55.0°
C5	C6	O6	H6	120.1°	120.0°
C5	C6	O6	H6A	120.2°	120.0°
C6	C5	C4	H4	51.5°	57.6°
C5	C6	H6	H6A	119.6°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O6	C6	C5	H5	165.7°	54.9°
O6	C6	H6	H6A	119.6°	120.0°
O7	C7	N1	HN1	178.6°	179.9°
O7	C7	N2	HN2	178.8°	180.0°
O8	C8	C9	C10	139.4°	0.0°
O8	C8	C9	C14	38.6°	179.8°
O8	C8	N2	HN2	177.9°	180.0°
C8	C9	C10	C14	178.1°	179.7°
C8	C9	C10	C11	179.6°	180.0°
C8	C9	C14	C13	179.4°	179.7°
C9	C8	N2	HN2	1.0°	0.0°
C8	C9	C10	H10	0.4°	0.1°
C8	C9	C14	H14	0.6°	0.1°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.6°	0.0°
C10	C9	C14	C13	1.3°	0.6°
C9	C10	C11	H11	179.4°	180.0°
C10	C9	C14	H14	178.7°	179.6°
C14	C9	C10	C11	1.6°	0.3°
C9	C14	C13	C12	0.2°	0.6°
C9	C14	C13	H14	180.0°	179.8°
C14	C9	C10	H10	178.5°	179.8°
C9	C14	C13	H13	179.8°	179.7°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.5°	0.0°
C10	C11	C12	C15	179.3°	180.0°
C11	C12	C13	C15	178.8°	180.0°
C11	C12	C13	C14	0.7°	0.3°
C12	C11	C10	H10	179.4°	179.9°
C11	C12	C13	H13	179.3°	180.0°
C12	C13	C14	H13	180.0°	179.7°
C13	C12	C11	H11	179.5°	180.0°
C12	C13	C14	H14	179.8°	179.6°
C15	C12	C13	C14	179.5°	179.7°
C15	C12	C11	H11	0.6°	0.0°
C15	C12	C13	H13	0.5°	0.0°
H1	C1	N1	HN1	154.9°	155.1°
H1	C1	C2	H2	173.0°	177.7°
H2	C2	O2	HO2	61.0°	60.1°
H2	C2	C3	H3	178.5°	177.1°
H3	C3	O3	HO3	60.7°	60.2°
H3	C3	C4	H4	170.8°	177.1°
H4	C4	O4	HO4	61.2°	60.1°
H4	C4	C5	H5	171.6°	177.7°
H5	C5	C6	H6	74.2°	65.1°
H5	C5	C6	H6A	45.5°	175.0°
H6	C6	O6	HO6	59.9°	60.0°
H6A	C6	O6	HO6	59.8°	60.0°
H10	C10	C11	H11	0.6°	0.1°
H13	C13	C14	H14	0.2°	0.1°

Release date:	2013-12-11
Definition date:	2012-11-22
Last modified:	2013-12-06
Release status:	REL
Processing site:	EBI
Derived from:	3ZCQ