L11

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL15	C14	sing	1.74Å	1.82Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	C16	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C16	C17	sing	1.51Å	1.49Å
C16	C25	doub	1.38Å	1.39Å	Aromatic
C17	O18	sing	1.43Å	1.41Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.11Å
O18	C19	sing	1.36Å	1.37Å
C19	C24	doub	1.39Å	1.27Å	Aromatic
C19	C20	sing	1.39Å	1.41Å	Aromatic
C24	N23	sing	1.32Å	1.28Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
N23	C22	doub	1.32Å	1.37Å	Aromatic
C22	C21	sing	1.38Å	1.42Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C21	C20	doub	1.39Å	1.42Å	Aromatic
C21	H21	sing	1.08Å	1.10Å
C20	H20	sing	1.08Å	1.10Å
C25	C11	sing	1.39Å	1.39Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C11	N10	sing	1.40Å	1.41Å
N10	C8	sing	1.35Å	1.35Å
N10	H10	sing	0.97Å	1.02Å
C8	O9	doub	1.22Å	1.21Å
C8	C6	sing	1.47Å	1.45Å
C6	C7	doub	1.31Å	1.34Å
C6	C5	sing	1.50Å	1.34Å
C7	C2	sing	1.50Å	1.35Å
C7	H7	sing	1.08Å	1.10Å
C2	F1	sing	1.40Å	1.31Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.12Å
C5	C4	sing	1.53Å	1.35Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C4	C3	sing	1.53Å	1.55Å
C4	N26	sing	1.47Å	1.44Å
C4	H41	sing	1.09Å	1.11Å
C3	H3C1	sing	1.09Å	1.11Å
C3	H3C2	sing	1.09Å	1.11Å
N26	C31	sing	1.47Å	1.47Å
N26	C27	sing	1.47Å	1.47Å
C31	C30	sing	1.53Å	1.51Å
C31	H311	sing	1.09Å	1.11Å
C31	H312	sing	1.09Å	1.11Å
C30	O29	sing	1.43Å	1.43Å
C30	H301	sing	1.09Å	1.11Å
C30	H302	sing	1.09Å	1.11Å
O29	C28	sing	1.43Å	1.44Å
C28	C27	sing	1.53Å	1.53Å
C28	H281	sing	1.09Å	1.12Å
C28	H282	sing	1.09Å	1.12Å
C27	H271	sing	1.09Å	1.12Å
C27	H272	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL15	C14	C13	119.4°	120.0°
CL15	C14	C16	122.9°	120.0°
C13	C14	C16	117.7°	120.1°
C14	C13	C12	120.1°	120.1°
C14	C13	H13	119.9°	119.9°
C14	C16	C17	122.8°	120.0°
C14	C16	C25	121.9°	120.1°
C12	C13	H13	119.9°	120.0°
C13	C12	C11	122.2°	119.9°
C13	C12	H12	118.9°	120.0°
C11	C12	H12	118.9°	120.0°
C12	C11	C25	117.5°	119.9°
C12	C11	N10	118.4°	120.0°
C17	C16	C25	115.2°	120.0°
C16	C17	O18	116.5°	109.4°
C16	C17	H171	109.7°	109.5°
C16	C17	H172	109.6°	109.5°
C16	C25	C11	120.5°	119.9°
C16	C25	H25	119.7°	120.1°
O18	C17	H171	109.6°	109.5°
O18	C17	H172	109.6°	109.5°
C17	O18	C19	116.3°	106.8°
H171	C17	H172	100.5°	109.5°
O18	C19	C24	127.3°	120.5°
O18	C19	C20	126.1°	120.5°
C24	C19	C20	106.6°	119.0°
C19	C24	N23	150.2°	120.7°
C19	C24	H24	104.9°	119.6°
C19	C20	C21	116.3°	118.4°
C19	C20	H20	121.8°	120.8°
N23	C24	H24	104.9°	119.7°
C24	N23	C22	104.8°	121.8°
N23	C22	C21	119.7°	120.9°
N23	C22	H22	120.1°	119.5°
C21	C22	H22	120.1°	119.5°
C22	C21	C20	122.4°	119.2°
C22	C21	H21	118.8°	120.4°
C20	C21	H21	118.8°	120.4°
C21	C20	H20	121.9°	120.8°
C11	C25	H25	119.8°	120.0°
C25	C11	N10	124.1°	120.1°
C11	N10	C8	128.0°	120.0°
C11	N10	H10	116.0°	120.0°
C8	N10	H10	116.0°	120.1°
N10	C8	O9	126.1°	120.0°
N10	C8	C6	117.0°	120.0°
O9	C8	C6	116.9°	120.0°
C8	C6	C7	128.4°	118.2°
C8	C6	C5	127.9°	118.1°
C7	C6	C5	103.6°	123.7°
C6	C7	C2	132.8°	124.0°
C6	C7	H7	113.2°	118.1°
C6	C5	C4	134.7°	110.2°
C6	C5	H51	103.6°	109.4°
C6	C5	H52	103.6°	109.3°
C2	C7	H7	114.0°	117.9°
C7	C2	F1	125.0°	109.4°
C7	C2	C3	113.5°	110.0°
C7	C2	H2	102.9°	109.3°
F1	C2	C3	121.3°	109.4°
F1	C2	H2	38.2°	109.4°
C3	C2	H2	133.0°	109.4°
C2	C3	C4	110.1°	108.5°
C2	C3	H3C1	112.0°	109.6°
C2	C3	H3C2	112.0°	109.6°
C4	C5	H51	103.5°	109.4°
C4	C5	H52	103.5°	109.4°
C5	C4	C3	113.2°	108.5°
C5	C4	N26	124.3°	109.8°
C5	C4	H41	104.4°	109.6°
H51	C5	H52	105.1°	109.2°
C3	C4	N26	121.9°	109.7°
C3	C4	H41	117.0°	109.6°
C4	C3	H3C1	111.9°	109.6°
C4	C3	H3C2	111.9°	109.7°
N26	C4	H41	58.0°	109.6°
C4	N26	C31	112.1°	106.7°
C4	N26	C27	113.6°	106.7°
H3C1	C3	H3C2	98.5°	109.8°
C31	N26	C27	111.6°	106.7°
N26	C31	C30	110.2°	109.5°
N26	C31	H311	111.9°	109.5°
N26	C31	H312	111.9°	109.5°
N26	C27	C28	107.0°	109.5°
N26	C27	H271	113.1°	109.5°
N26	C27	H272	113.1°	109.5°
C30	C31	H311	111.9°	109.4°
C30	C31	H312	111.9°	109.5°
C31	C30	O29	111.1°	109.8°
C31	C30	H301	111.6°	109.4°
C31	C30	H302	111.6°	109.4°
H311	C31	H312	98.5°	109.4°
O29	C30	H301	111.6°	109.5°
O29	C30	H302	111.6°	109.4°
C30	O29	C28	118.8°	107.2°
H301	C30	H302	98.8°	109.3°
O29	C28	C27	113.2°	109.7°
O29	C28	H281	110.8°	109.4°
O29	C28	H282	110.9°	109.4°
C27	C28	H281	110.9°	109.4°
C27	C28	H282	110.8°	109.5°
C28	C27	H271	113.1°	109.5°
C28	C27	H272	113.1°	109.5°
H281	C28	H282	99.5°	109.4°
H271	C27	H272	97.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL15	C14	C13	C16	179.6°	180.0°
CL15	C14	C13	C12	179.2°	180.0°
CL15	C14	C13	H13	0.8°	0.1°
CL15	C14	C16	C17	3.2°	0.0°
CL15	C14	C16	C25	178.7°	179.7°
C14	C13	C12	H13	180.0°	180.0°
C14	C13	C12	C11	0.5°	0.0°
C14	C13	C12	H12	179.6°	180.0°
C13	C14	C16	C17	177.1°	180.0°
C13	C14	C16	C25	1.7°	0.3°
C16	C14	C13	C12	1.2°	0.0°
C16	C14	C13	H13	178.8°	180.0°
C14	C16	C17	C25	175.7°	179.7°
C14	C16	C17	O18	62.3°	180.0°
C14	C16	C17	H171	62.9°	60.0°
C14	C16	C17	H172	172.4°	60.0°
C14	C16	C25	C11	1.5°	0.6°
C14	C16	C25	H25	178.5°	180.0°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	C25	0.2°	0.3°
C13	C12	C11	N10	179.1°	180.0°
H13	C13	C12	C11	179.5°	179.9°
H13	C13	C12	H12	0.4°	0.0°
C12	C11	C25	C16	0.7°	0.6°
C12	C11	C25	N10	179.3°	179.7°
C12	C11	C25	H25	179.3°	180.0°
C12	C11	N10	C8	137.3°	34.6°
C12	C11	N10	H10	42.7°	145.4°
H12	C12	C11	C25	179.8°	179.7°
H12	C12	C11	N10	0.9°	0.0°
C16	C17	O18	H171	125.3°	119.9°
C16	C17	O18	H172	125.2°	120.0°
C16	C17	H171	H172	115.4°	120.0°
C16	C17	O18	C19	164.0°	180.0°
C17	C16	C25	C11	177.2°	179.7°
C17	C16	C25	H25	2.7°	0.3°
C25	C16	C17	O18	122.0°	0.3°
C25	C16	C17	H171	112.8°	120.2°
C25	C16	C17	H172	3.3°	119.7°
C16	C25	C11	H25	180.0°	179.4°
C16	C25	C11	N10	178.6°	179.7°
O18	C17	H171	H172	115.4°	120.1°
C17	O18	C19	C24	161.4°	0.3°
C17	O18	C19	C20	19.7°	180.0°
H171	C17	O18	C19	38.7°	60.1°
H172	C17	O18	C19	70.8°	60.0°
O18	C19	C24	C20	179.1°	179.6°
O18	C19	C24	N23	178.0°	179.7°
O18	C19	C24	H24	2.0°	0.3°
O18	C19	C20	C21	179.0°	180.0°
O18	C19	C20	H20	1.0°	0.1°
C19	C24	N23	H24	180.0°	179.4°
C19	C24	N23	C22	1.1°	0.6°
C24	C19	C20	C21	0.1°	0.3°
C24	C19	C20	H20	179.9°	179.8°
C20	C19	C24	N23	1.0°	0.6°
C20	C19	C24	H24	179.0°	180.0°
C19	C20	C21	C22	0.3°	0.0°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	H21	179.7°	179.9°
C24	N23	C22	C21	0.2°	0.3°
C24	N23	C22	H22	179.8°	179.7°
H24	C24	N23	C22	178.9°	180.0°
N23	C22	C21	H22	180.0°	180.0°
N23	C22	C21	C20	0.3°	0.0°
N23	C22	C21	H21	179.7°	180.0°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	H20	179.7°	179.9°
H22	C22	C21	C20	179.7°	180.0°
H22	C22	C21	H21	0.2°	0.0°
H21	C21	C20	H20	0.3°	0.1°
C25	C11	N10	C8	42.0°	145.7°
C25	C11	N10	H10	138.0°	34.2°
H25	C25	C11	N10	1.4°	0.3°
C11	N10	C8	H10	180.0°	179.9°
C11	N10	C8	O9	2.7°	5.6°
C11	N10	C8	C6	177.3°	174.3°
N10	C8	O9	C6	179.9°	180.0°
N10	C8	C6	C7	3.3°	179.9°
N10	C8	C6	C5	178.9°	0.0°
H10	N10	C8	O9	177.3°	174.3°
H10	N10	C8	C6	2.7°	5.8°
O9	C8	C6	C7	176.6°	0.0°
O9	C8	C6	C5	1.0°	180.0°
C8	C6	C7	C5	176.4°	179.9°
C8	C6	C7	C2	165.8°	179.6°
C8	C6	C7	H7	14.2°	0.5°
C8	C6	C5	C4	154.9°	162.9°
C8	C6	C5	H51	29.6°	42.6°
C8	C6	C5	H52	79.8°	76.9°
C6	C7	C2	H7	180.0°	179.9°
C6	C7	C2	F1	146.1°	103.1°
C6	C7	C2	C3	38.0°	17.1°
C6	C7	C2	H2	111.6°	137.2°
C7	C6	C5	C4	21.5°	17.1°
C7	C6	C5	H51	146.8°	137.3°
C7	C6	C5	H52	103.8°	103.1°
C5	C6	C7	C2	17.8°	0.3°
C5	C6	C7	H7	162.2°	179.5°
C6	C5	C4	H51	125.3°	120.3°
C6	C5	C4	H52	125.3°	120.2°
C6	C5	H51	H52	108.3°	119.6°
C6	C5	C4	C3	30.5°	49.7°
C6	C5	C4	N26	158.7°	169.6°
C6	C5	C4	H41	97.8°	69.9°
C7	C2	F1	C3	175.6°	120.5°
C7	C2	F1	H2	63.2°	119.7°
C7	C2	C3	H2	137.7°	120.1°
C7	C2	C3	C4	21.5°	49.7°
C7	C2	C3	H3C1	146.8°	169.4°
C7	C2	C3	H3C2	103.7°	70.1°
H7	C7	C2	F1	33.9°	77.1°
H7	C7	C2	C3	142.0°	162.8°
H7	C7	C2	H2	68.3°	42.6°
F1	C2	C3	H2	46.3°	119.8°
F1	C2	C3	C4	162.4°	70.5°
F1	C2	C3	H3C1	37.2°	49.3°
F1	C2	C3	H3C2	72.3°	169.8°
C2	C3	C4	C5	4.1°	68.0°
C2	C3	C4	H3C1	125.3°	119.7°
C2	C3	C4	H3C2	125.3°	119.7°
C2	C3	C4	N26	175.2°	172.0°
C2	C3	C4	H41	117.3°	51.6°
C2	C3	H3C1	H3C2	117.9°	120.4°
H2	C2	C3	C4	116.2°	169.8°
H2	C2	C3	H3C1	9.1°	70.5°
H2	C2	C3	H3C2	118.6°	50.0°
C4	C5	H51	H52	108.3°	119.6°
C5	C4	C3	N26	171.1°	119.9°
C5	C4	C3	H41	121.4°	119.6°
C5	C4	N26	H41	85.9°	120.5°
C5	C4	C3	H3C1	121.2°	172.3°
C5	C4	C3	H3C2	129.3°	51.7°
C5	C4	N26	C31	176.0°	171.4°
C5	C4	N26	C27	56.5°	57.7°
H51	C5	C4	C3	155.8°	170.0°
H51	C5	C4	N26	33.4°	70.2°
H51	C5	C4	H41	27.4°	50.3°
H52	C5	C4	C3	94.8°	70.5°
H52	C5	C4	N26	76.0°	49.4°
H52	C5	C4	H41	136.9°	169.9°
C3	C4	N26	H41	104.1°	120.4°
C4	C3	H3C1	H3C2	117.9°	120.5°
C3	C4	N26	C31	5.9°	69.4°
C3	C4	N26	C27	133.5°	176.9°
N26	C4	C3	H3C1	49.9°	52.4°
N26	C4	C3	H3C2	59.6°	68.2°
C4	N26	C31	C27	128.6°	113.7°
C4	N26	C31	C30	169.2°	173.0°
C4	N26	C31	H311	43.9°	53.0°
C4	N26	C31	H312	65.6°	66.9°
C4	N26	C27	C28	171.4°	173.1°
C4	N26	C27	H271	63.3°	66.9°
C4	N26	C27	H272	46.2°	53.0°
H41	C4	C3	H3C1	117.4°	68.0°
H41	C4	C3	H3C2	7.9°	171.4°
H41	C4	N26	C31	98.2°	51.0°
H41	C4	N26	C27	29.4°	62.8°
N26	C31	C30	H311	125.2°	120.0°
N26	C31	C30	H312	125.2°	120.1°
N26	C31	H311	H312	117.8°	120.0°
N26	C31	C30	O29	50.4°	62.9°
N26	C31	C30	H301	74.8°	177.0°
N26	C31	C30	H302	175.7°	57.2°
C31	N26	C27	C28	60.7°	59.3°
C31	N26	C27	H271	64.5°	179.3°
C31	N26	C27	H272	174.0°	60.7°
C27	N26	C31	C30	62.2°	59.3°
C27	N26	C31	H311	172.6°	60.7°
C27	N26	C31	H312	63.1°	179.4°
N26	C27	C28	O29	50.8°	62.9°
N26	C27	C28	H271	125.3°	120.0°
N26	C27	C28	H272	125.2°	120.1°
N26	C27	C28	H281	176.1°	177.0°
N26	C27	C28	H282	74.5°	57.2°
N26	C27	H271	H272	119.0°	120.0°
C30	C31	H311	H312	117.9°	120.0°
C31	C30	O29	H301	125.3°	120.1°
C31	C30	O29	H302	125.3°	120.1°
C31	C30	H301	H302	117.5°	119.8°
C31	C30	O29	C28	44.1°	63.1°
H311	C31	C30	O29	175.7°	57.2°
H311	C31	C30	H301	50.4°	63.0°
H311	C31	C30	H302	59.1°	177.3°
H312	C31	C30	O29	74.8°	177.0°
H312	C31	C30	H301	159.9°	56.9°
H312	C31	C30	H302	50.5°	62.9°
O29	C30	H301	H302	117.5°	119.9°
C30	O29	C28	C27	45.4°	63.2°
C30	O29	C28	H281	170.7°	176.8°
C30	O29	C28	H282	79.8°	57.0°
H301	C30	O29	C28	81.1°	176.7°
H302	C30	O29	C28	169.4°	56.9°
O29	C28	C27	H281	125.3°	120.0°
O29	C28	C27	H282	125.3°	120.1°
O29	C28	H281	H282	116.7°	119.9°
O29	C28	C27	H271	74.5°	177.1°
O29	C28	C27	H272	176.1°	57.1°
C27	C28	H281	H282	116.7°	119.9°
C28	C27	H271	H272	119.0°	120.0°
H281	C28	C27	H271	50.8°	57.1°
H281	C28	C27	H272	58.7°	62.9°
H282	C28	C27	H271	160.3°	62.8°
H282	C28	C27	H272	50.8°	177.2°

Definition date:	2004-09-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI