1CX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C3	sing	1.37Å	1.35Å
N1	C12	doub	1.31Å	1.33Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.40Å	1.37Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C6	C1	doub	1.38Å	1.37Å	Aromatic
C6	I1	sing	2.10Å	2.05Å
C7	C8	doub	1.39Å	1.37Å
C7	C13	sing	1.47Å	1.48Å
C7	C12	sing	1.47Å	1.37Å
C8	C9	sing	1.40Å	1.38Å
C10	C9	doub	1.34Å	1.37Å
C10	C11	sing	1.51Å	1.36Å
C10	F1	sing	1.35Å	1.32Å
C13	O1	doub	1.22Å	1.19Å
C13	N2	sing	1.35Å	1.29Å
C15	C14	sing	1.53Å	1.52Å
C15	O3	sing	1.43Å	1.42Å
C1	C2	sing	1.38Å	1.36Å	Aromatic
C2	C3	doub	1.40Å	1.36Å	Aromatic
C2	F3	sing	1.35Å	1.31Å
C11	C12	sing	1.51Å	1.33Å
C11	F2	sing	1.40Å	1.30Å
N2	O2	sing	1.42Å	1.34Å
O2	C14	sing	1.43Å	1.42Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	N1	C12	126.2°	120.0°
N1	C3	C4	125.9°	120.1°
N1	C3	C2	116.6°	120.1°
N1	C12	C7	124.8°	121.4°
N1	C12	C11	115.4°	121.4°
C5	C4	C3	119.6°	119.8°
C4	C5	C6	122.2°	120.2°
C5	C4	H4	120.2°	120.1°
C4	C5	H5	118.9°	119.9°
C4	C3	C2	117.4°	119.7°
C3	C4	H4	120.2°	120.1°
C5	C6	C1	116.8°	120.3°
C5	C6	I1	125.1°	119.8°
C6	C5	H5	118.9°	119.9°
C1	C6	I1	118.0°	119.8°
C6	C1	C2	120.5°	120.1°
C6	C1	H1	119.7°	119.9°
C8	C7	C13	118.4°	121.3°
C8	C7	C12	119.6°	117.5°
C7	C8	C9	119.8°	120.1°
C7	C8	H8	120.1°	119.9°
C13	C7	C12	122.1°	121.2°
C7	C13	O1	121.0°	120.0°
C7	C13	N2	121.7°	120.0°
C7	C12	C11	119.8°	117.2°
C8	C9	C10	119.8°	122.6°
C9	C8	H8	120.1°	120.0°
C8	C9	H9	120.1°	118.7°
C9	C10	C11	118.9°	121.5°
C9	C10	F1	120.2°	119.3°
C10	C9	H9	120.1°	118.7°
C11	C10	F1	120.9°	119.2°
C10	C11	C12	122.3°	108.9°
C10	C11	F2	123.0°	109.6°
C10	C11	H11	8.4°	109.6°
O1	C13	N2	117.2°	120.0°
C13	N2	O2	115.0°	120.0°
C13	N2	HN2	122.5°	119.9°
C14	C15	O3	108.6°	109.5°
C15	C14	O2	110.7°	109.5°
C14	C15	H15	109.7°	109.5°
C14	C15	H15A	110.0°	109.4°
C15	C14	H14	109.1°	109.5°
C15	C14	H14A	108.8°	109.5°
O3	C15	H15	109.8°	109.5°
O3	C15	H15A	109.9°	109.5°
C15	O3	HO3	109.5°	114.0°
C1	C2	C3	123.4°	119.8°
C1	C2	F3	118.1°	120.1°
C2	C1	H1	119.8°	119.9°
C3	C2	F3	118.5°	120.2°
C12	C11	F2	114.7°	109.0°
C12	C11	H11	127.3°	110.0°
F2	C11	H11	117.6°	109.7°
N2	O2	C14	120.2°	114.0°
O2	N2	HN2	122.5°	120.1°
O2	C14	H14	109.1°	109.5°
O2	C14	H14A	108.8°	109.4°
H15	C15	H15A	108.8°	109.5°
H14	C14	H14A	110.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C3	C4	C5	178.9°	179.9°
N1	C3	C4	C2	178.8°	179.9°
C3	N1	C12	C7	127.9°	180.0°
N1	C3	C2	C1	179.0°	180.0°
N1	C3	C2	F3	1.2°	0.0°
C3	N1	C12	C11	53.8°	0.0°
N1	C3	C4	H4	1.1°	0.3°
C12	N1	C3	C4	8.5°	40.0°
N1	C12	C7	C8	179.0°	150.7°
N1	C12	C7	C13	0.2°	29.0°
N1	C12	C7	C11	178.3°	180.0°
N1	C12	C11	C10	179.4°	140.0°
C12	N1	C3	C2	170.4°	140.0°
N1	C12	C11	F2	1.1°	100.4°
N1	C12	C11	H11	171.3°	19.9°
C5	C4	C3	H4	180.0°	179.8°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	1.4°	0.0°
C4	C5	C6	I1	179.8°	180.0°
C5	C4	C3	C2	0.1°	0.0°
C3	C4	C5	C6	0.7°	0.0°
C4	C3	C2	C1	0.0°	0.1°
C4	C3	C2	F3	179.8°	180.0°
C3	C4	C5	H5	179.3°	180.0°
C5	C6	C1	I1	178.5°	180.0°
C5	C6	C1	C2	1.4°	0.1°
C6	C5	C4	H4	179.3°	179.8°
C5	C6	C1	H1	178.6°	180.0°
C6	C1	C2	H1	180.0°	179.9°
C6	C1	C2	C3	0.8°	0.1°
C6	C1	C2	F3	179.0°	179.9°
C1	C6	C5	H5	178.6°	180.0°
I1	C6	C1	C2	180.0°	179.9°
I1	C6	C5	H5	0.2°	0.0°
I1	C6	C1	H1	0.0°	0.0°
C8	C7	C13	C12	178.9°	179.7°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.5°	13.6°
C8	C7	C13	O1	167.7°	0.0°
C8	C7	C13	N2	9.2°	180.0°
C8	C7	C12	C11	0.8°	29.2°
C7	C8	C9	H9	179.6°	166.5°
C13	C7	C8	C9	178.8°	179.1°
C7	C13	O1	N2	177.1°	180.0°
C13	C7	C12	C11	178.1°	151.0°
C7	C13	N2	O2	178.6°	180.0°
C13	C7	C8	H8	1.2°	0.9°
C7	C13	N2	HN2	1.4°	0.0°
C12	C7	C8	C9	0.0°	1.2°
C7	C12	C11	C10	1.0°	39.9°
C12	C7	C13	O1	11.1°	179.7°
C12	C7	C13	N2	171.9°	0.3°
C7	C12	C11	F2	179.6°	79.6°
C12	C7	C8	H8	179.9°	178.8°
C7	C12	C11	H11	7.2°	160.0°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.3°	1.0°
C8	C9	C10	F1	179.5°	178.4°
C9	C10	C11	F1	179.7°	179.4°
C9	C10	C11	C12	0.5°	26.7°
C9	C10	C11	F2	179.9°	92.5°
C10	C9	C8	H8	179.6°	166.4°
C9	C10	C11	H11	128.7°	147.1°
C10	C11	C12	F2	179.4°	119.5°
C10	C11	C12	H11	8.1°	120.1°
C10	C11	F2	H11	7.4°	120.3°
C11	C10	C9	H9	179.8°	179.0°
F1	C10	C11	C12	179.8°	152.7°
F1	C10	C11	F2	0.4°	88.1°
F1	C10	C9	H9	0.5°	1.6°
F1	C10	C11	H11	51.0°	32.3°
O1	C13	N2	O2	1.5°	0.0°
O1	C13	N2	HN2	178.5°	180.0°
C13	N2	O2	HN2	180.0°	180.0°
C13	N2	O2	C14	137.0°	180.0°
C14	C15	O3	H15	120.0°	120.0°
C14	C15	O3	H15A	120.3°	120.0°
C15	C14	O2	N2	143.2°	180.0°
C15	C14	O2	H14	120.0°	120.1°
C15	C14	O2	H14A	119.5°	119.9°
C14	C15	H15	H15A	120.4°	119.9°
C15	C14	H14	H14A	119.5°	120.0°
C14	C15	O3	HO3	146.6°	179.9°
O3	C15	C14	O2	76.1°	65.0°
O3	C15	H15	H15A	120.4°	120.0°
O3	C15	C14	H14	43.9°	175.0°
O3	C15	C14	H14A	164.4°	54.9°
C1	C2	C3	F3	179.8°	180.0°
C2	C3	C4	H4	179.9°	179.8°
C3	C2	C1	H1	179.2°	180.0°
F3	C2	C1	H1	0.9°	0.0°
C12	C11	F2	H11	173.2°	120.6°
N2	O2	C14	H14	23.2°	60.0°
N2	O2	C14	H14A	97.3°	60.0°
O2	C14	C15	H15	43.9°	175.0°
O2	C14	C15	H15A	163.6°	55.0°
C14	O2	N2	HN2	43.0°	0.0°
O2	C14	H14	H14A	119.5°	120.0°
H4	C4	C5	H5	0.6°	0.2°
H8	C8	C9	H9	0.4°	13.5°
H15	C15	C14	H14	163.9°	54.9°
H15	C15	C14	H14A	75.6°	65.1°
H15	C15	O3	HO3	26.6°	60.0°
H15A	C15	C14	H14	76.4°	65.0°
H15A	C15	C14	H14A	44.1°	174.9°
H15A	C15	O3	HO3	93.1°	60.0°

Definition date:	2008-07-28
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB