Obsolete: HEQ

HEQ was replaced with EQ3 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C32	C1	sing	1.53Å	1.51Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C32	H323	sing	1.09Å	1.10Å
C1	C31	sing	1.53Å	1.51Å
C1	C2	sing	1.53Å	1.50Å
C1	C6	sing	1.50Å	1.54Å
C31	H311	sing	1.09Å	1.10Å
C31	H312	sing	1.09Å	1.10Å
C31	H313	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.46Å
C2	HC21	sing	1.09Å	1.10Å
C2	HC22	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.36Å
C3	C4	sing	1.53Å	1.49Å
C3	HC31	sing	1.09Å	1.10Å
O3	HO31	sing	0.97Å	0.95Å
C4	C5	sing	1.50Å	1.47Å
C4	HC41	sing	1.09Å	1.10Å
C4	HC42	sing	1.09Å	1.10Å
C5	C33	sing	1.51Å	1.53Å
C5	C6	doub	1.32Å	1.32Å
C33	H331	sing	1.09Å	1.10Å
C33	H332	sing	1.09Å	1.10Å
C33	H333	sing	1.09Å	1.10Å
C6	C7	sing	1.42Å	1.49Å
C7	C8	doub	1.36Å	1.35Å
C7	HC71	sing	1.08Å	1.08Å
C8	C9	sing	1.41Å	1.47Å
C8	HC81	sing	1.08Å	1.08Å
C9	C34	sing	1.51Å	1.51Å
C9	C10	doub	1.37Å	1.36Å
C34	H341	sing	1.09Å	1.10Å
C34	H342	sing	1.09Å	1.10Å
C34	H343	sing	1.09Å	1.10Å
C10	C11	sing	1.40Å	1.42Å
C10	H101	sing	1.08Å	1.08Å
C11	C12	doub	1.38Å	1.37Å
C11	H111	sing	1.08Å	1.08Å
C12	C13	sing	1.40Å	1.46Å
C12	H121	sing	1.08Å	1.08Å
C13	C35	sing	1.51Å	1.51Å
C13	C14	doub	1.38Å	1.37Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.09Å	1.10Å
C35	H353	sing	1.09Å	1.10Å
C14	C15	sing	1.40Å	1.44Å
C14	H141	sing	1.08Å	1.08Å
C15	C16	doub	1.38Å	1.35Å
C15	H151	sing	1.08Å	1.08Å
C16	C17	sing	1.40Å	1.43Å
C16	H161	sing	1.08Å	1.08Å
C17	C18	doub	1.38Å	1.40Å
C17	H171	sing	1.08Å	1.08Å
C18	C36	sing	1.51Å	1.50Å
C18	C19	sing	1.40Å	1.41Å
C36	H361	sing	1.09Å	1.10Å
C36	H362	sing	1.09Å	1.10Å
C36	H363	sing	1.09Å	1.10Å
C19	C20	doub	1.38Å	1.39Å
C19	H191	sing	1.08Å	1.08Å
C20	C21	sing	1.39Å	1.43Å
C20	H201	sing	1.08Å	1.08Å
C21	C22	doub	1.38Å	1.37Å
C21	H211	sing	1.08Å	1.08Å
C22	C37	sing	1.51Å	1.50Å
C22	C23	sing	1.39Å	1.43Å
C37	H371	sing	1.09Å	1.10Å
C37	H372	sing	1.09Å	1.10Å
C37	H373	sing	1.09Å	1.10Å
C23	C24	doub	1.38Å	1.33Å
C23	H231	sing	1.08Å	1.08Å
C24	C25	sing	1.39Å	1.44Å
C24	H242	sing	1.08Å	1.08Å
C25	C26	doub	1.38Å	1.31Å
C25	C30	sing	1.51Å	1.50Å
C26	C38	sing	1.51Å	1.53Å
C26	C27	sing	1.39Å	1.44Å
C38	H381	sing	1.09Å	1.10Å
C38	H382	sing	1.09Å	1.10Å
C38	H383	sing	1.09Å	1.10Å
C27	O27	doub	1.22Å	1.25Å
C27	C28	sing	1.51Å	1.44Å
C28	C29	sing	1.53Å	1.45Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
C29	C30	sing	1.53Å	1.50Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C30	C40	sing	1.53Å	1.52Å
C30	C39	sing	1.53Å	1.54Å
C40	H401	sing	1.09Å	1.10Å
C40	H402	sing	1.09Å	1.10Å
C40	H403	sing	1.09Å	1.10Å
C39	H391	sing	1.09Å	1.10Å
C39	H392	sing	1.09Å	1.10Å
C39	H393	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C32	H321	109.5°	109.5°
C1	C32	H322	109.5°	109.4°
C1	C32	H323	109.5°	109.5°
C32	C1	C31	111.0°	109.3°
C32	C1	C2	103.7°	109.4°
C32	C1	C6	109.6°	109.4°
H321	C32	H322	109.5°	109.4°
H321	C32	H323	109.5°	109.5°
H322	C32	H323	109.5°	109.5°
C31	C1	C2	108.7°	109.4°
C31	C1	C6	108.7°	109.3°
C1	C31	H311	109.5°	109.4°
C1	C31	H312	109.5°	109.4°
C1	C31	H313	109.5°	109.5°
C2	C1	C6	114.9°	110.0°
C1	C2	C3	116.8°	108.5°
C1	C2	HC21	107.6°	109.6°
C1	C2	HC22	107.6°	109.6°
C1	C6	C5	121.5°	123.9°
C1	C6	C7	120.0°	118.1°
H311	C31	H312	109.4°	109.4°
H311	C31	H313	109.4°	109.5°
H312	C31	H313	109.5°	109.5°
C3	C2	HC21	107.6°	109.7°
C3	C2	HC22	107.6°	109.6°
C2	C3	O3	110.9°	109.6°
C2	C3	C4	119.6°	108.5°
C2	C3	HC31	105.1°	109.6°
HC21	C2	HC22	109.5°	109.8°
O3	C3	C4	109.3°	109.7°
O3	C3	HC31	106.2°	109.6°
C3	O3	HO31	109.5°	114.0°
C4	C3	HC31	104.7°	109.8°
C3	C4	C5	111.7°	110.2°
C3	C4	HC41	108.9°	109.3°
C3	C4	HC42	108.9°	109.4°
C5	C4	HC41	108.9°	109.3°
C5	C4	HC42	108.9°	109.4°
C4	C5	C33	118.6°	118.2°
C4	C5	C6	122.9°	123.6°
HC41	C4	HC42	109.5°	109.2°
C33	C5	C6	118.5°	118.2°
C5	C33	H331	109.5°	109.4°
C5	C33	H332	109.5°	109.5°
C5	C33	H333	109.5°	109.5°
C5	C6	C7	118.3°	118.0°
H331	C33	H332	109.5°	109.5°
H331	C33	H333	109.5°	109.5°
H332	C33	H333	109.4°	109.5°
C6	C7	C8	128.5°	120.0°
C6	C7	HC71	115.7°	120.0°
C8	C7	HC71	115.8°	120.0°
C7	C8	C9	120.2°	120.0°
C7	C8	HC81	119.9°	120.0°
C9	C8	HC81	119.9°	120.0°
C8	C9	C34	118.8°	120.0°
C8	C9	C10	119.8°	120.0°
C34	C9	C10	121.4°	120.0°
C9	C34	H341	109.5°	109.4°
C9	C34	H342	109.4°	109.4°
C9	C34	H343	109.5°	109.5°
C9	C10	C11	127.1°	120.0°
C9	C10	H101	116.5°	120.0°
H341	C34	H342	109.4°	109.5°
H341	C34	H343	109.4°	109.5°
H342	C34	H343	109.5°	109.5°
C11	C10	H101	116.4°	120.0°
C10	C11	C12	122.3°	120.0°
C10	C11	H111	118.9°	120.0°
C12	C11	H111	118.9°	120.0°
C11	C12	C13	123.7°	120.1°
C11	C12	H121	118.2°	120.0°
C13	C12	H121	118.2°	120.0°
C12	C13	C35	121.5°	120.0°
C12	C13	C14	116.8°	120.0°
C35	C13	C14	121.5°	120.0°
C13	C35	H351	109.5°	109.4°
C13	C35	H352	109.5°	109.4°
C13	C35	H353	109.5°	109.5°
C13	C14	C15	125.9°	120.0°
C13	C14	H141	117.1°	120.0°
H351	C35	H352	109.5°	109.5°
H351	C35	H353	109.4°	109.5°
H352	C35	H353	109.5°	109.5°
C15	C14	H141	117.1°	120.0°
C14	C15	C16	121.7°	119.9°
C14	C15	H151	119.1°	120.0°
C16	C15	H151	119.1°	120.0°
C15	C16	C17	123.5°	119.9°
C15	C16	H161	118.3°	120.0°
C17	C16	H161	118.2°	120.0°
C16	C17	C18	123.9°	120.0°
C16	C17	H171	118.0°	120.0°
C18	C17	H171	118.0°	120.0°
C17	C18	C36	119.9°	120.0°
C17	C18	C19	119.4°	120.0°
C36	C18	C19	120.6°	120.0°
C18	C36	H361	109.5°	109.5°
C18	C36	H362	109.4°	109.5°
C18	C36	H363	109.5°	109.5°
C18	C19	C20	127.9°	120.0°
C18	C19	H191	116.1°	120.0°
H361	C36	H362	109.5°	109.5°
H361	C36	H363	109.5°	109.5°
H362	C36	H363	109.5°	109.4°
C20	C19	H191	116.0°	120.0°
C19	C20	C21	117.1°	120.0°
C19	C20	H201	121.4°	120.0°
C21	C20	H201	121.5°	120.0°
C20	C21	C22	122.2°	120.0°
C20	C21	H211	118.9°	120.0°
C22	C21	H211	118.9°	120.0°
C21	C22	C37	116.8°	120.0°
C21	C22	C23	121.9°	120.0°
C37	C22	C23	121.3°	120.0°
C22	C37	H371	109.5°	109.4°
C22	C37	H372	109.5°	109.5°
C22	C37	H373	109.5°	109.5°
C22	C23	C24	117.7°	120.0°
C22	C23	H231	121.2°	120.0°
H371	C37	H372	109.4°	109.5°
H371	C37	H373	109.5°	109.5°
H372	C37	H373	109.5°	109.4°
C24	C23	H231	121.2°	120.0°
C23	C24	C25	130.9°	120.0°
C23	C24	H242	114.6°	120.0°
C25	C24	H242	114.6°	120.0°
C24	C25	C26	126.7°	119.6°
C24	C25	C30	112.2°	119.6°
C26	C25	C30	120.4°	120.8°
C25	C26	C38	121.4°	119.3°
C25	C26	C27	119.2°	121.4°
C25	C30	C29	114.4°	109.2°
C25	C30	C40	107.4°	109.5°
C25	C30	C39	111.7°	109.5°
C38	C26	C27	119.2°	119.3°
C26	C38	H381	109.5°	109.5°
C26	C38	H382	109.5°	109.5°
C26	C38	H383	109.4°	109.5°
C26	C27	O27	118.8°	119.6°
C26	C27	C28	122.9°	120.7°
H381	C38	H382	109.5°	109.5°
H381	C38	H383	109.4°	109.4°
H382	C38	H383	109.5°	109.5°
O27	C27	C28	118.2°	119.7°
C27	C28	C29	115.7°	109.3°
C27	C28	H281	107.9°	109.5°
C27	C28	H282	107.9°	109.5°
C29	C28	H281	107.9°	109.5°
C29	C28	H282	107.9°	109.5°
C28	C29	C30	113.6°	108.8°
C28	C29	H291	108.4°	109.6°
C28	C29	H292	108.4°	109.6°
H281	C28	H282	109.5°	109.5°
C30	C29	H291	108.4°	109.8°
C30	C29	H292	108.4°	109.5°
C29	C30	C40	111.2°	109.4°
C29	C30	C39	103.3°	109.7°
H291	C29	H292	109.4°	109.6°
C40	C30	C39	108.7°	109.5°
C30	C40	H401	109.5°	109.5°
C30	C40	H402	109.5°	109.5°
C30	C40	H403	109.5°	109.5°
C30	C39	H391	109.5°	109.5°
C30	C39	H392	109.5°	109.5°
C30	C39	H393	109.5°	109.5°
H401	C40	H402	109.4°	109.5°
H401	C40	H403	109.5°	109.5°
H402	C40	H403	109.5°	109.5°
H391	C39	H392	109.5°	109.5°
H391	C39	H393	109.5°	109.5°
H392	C39	H393	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C32	H321	H322	120.0°	119.9°
C1	C32	H321	H323	120.0°	120.0°
C1	C32	H322	H323	120.0°	120.0°
C32	C1	C31	C2	113.5°	119.8°
C32	C1	C31	C6	120.7°	119.7°
C32	C1	C2	C6	119.7°	120.2°
C32	C1	C31	H311	180.0°	60.1°
C32	C1	C31	H312	60.0°	180.0°
C32	C1	C31	H313	60.0°	60.0°
C32	C1	C2	C3	114.7°	170.1°
C32	C1	C2	HC21	124.2°	70.2°
C32	C1	C2	HC22	6.3°	50.4°
C32	C1	C6	C5	97.6°	137.5°
C32	C1	C6	C7	76.2°	42.6°
H321	C32	H322	H323	120.0°	120.0°
H321	C32	C1	C31	180.0°	54.3°
H321	C32	C1	C2	63.4°	174.1°
H321	C32	C1	C6	59.8°	65.4°
H322	C32	C1	C31	60.0°	174.3°
H322	C32	C1	C2	56.6°	66.0°
H322	C32	C1	C6	179.8°	54.6°
H323	C32	C1	C31	60.0°	65.7°
H323	C32	C1	C2	176.6°	54.1°
H323	C32	C1	C6	60.2°	174.6°
C31	C1	C2	C6	122.1°	120.1°
C1	C31	H311	H312	120.0°	119.9°
C1	C31	H311	H313	120.0°	120.1°
C1	C31	H312	H313	120.0°	120.0°
C31	C1	C2	C3	127.1°	70.2°
C31	C1	C2	HC21	6.0°	49.5°
C31	C1	C2	HC22	111.9°	170.1°
C31	C1	C6	C5	140.9°	102.8°
C31	C1	C6	C7	45.3°	77.1°
C2	C1	C31	H311	66.5°	59.7°
C2	C1	C31	H312	173.5°	60.2°
C2	C1	C31	H313	53.5°	179.7°
C1	C2	C3	HC21	121.1°	119.7°
C1	C2	C3	HC22	121.0°	119.7°
C1	C2	HC21	HC22	116.6°	120.4°
C1	C2	C3	O3	153.3°	172.0°
C1	C2	C3	C4	24.8°	68.3°
C1	C2	C3	HC31	92.3°	51.7°
C2	C1	C6	C5	18.8°	17.4°
C2	C1	C6	C7	167.4°	162.7°
C6	C1	C31	H311	59.3°	179.8°
C6	C1	C31	H312	60.7°	60.3°
C6	C1	C31	H313	179.3°	59.7°
C6	C1	C2	C3	5.0°	49.9°
C6	C1	C2	HC21	116.1°	169.7°
C6	C1	C2	HC22	126.0°	69.8°
C1	C6	C5	C4	1.6°	0.6°
C1	C6	C5	C33	177.2°	179.5°
C1	C6	C5	C7	173.9°	179.9°
C1	C6	C7	C8	120.0°	123.9°
C1	C6	C7	HC71	60.0°	56.2°
H311	C31	H312	H313	120.0°	120.0°
C3	C2	HC21	HC22	116.7°	120.5°
C2	C3	O3	C4	133.9°	119.0°
C2	C3	O3	HC31	113.6°	120.3°
C2	C3	C4	HC31	117.3°	119.8°
C2	C3	O3	HO31	180.0°	180.0°
C2	C3	C4	C5	40.7°	49.9°
C2	C3	C4	HC41	161.0°	170.1°
C2	C3	C4	HC42	79.6°	70.4°
HC21	C2	C3	O3	85.6°	52.3°
HC21	C2	C3	C4	145.9°	172.0°
HC21	C2	C3	HC31	28.7°	68.0°
HC22	C2	C3	O3	32.3°	68.3°
HC22	C2	C3	C4	96.2°	51.4°
HC22	C2	C3	HC31	146.6°	171.4°
O3	C3	C4	HC31	113.5°	120.5°
O3	C3	C4	C5	170.0°	169.6°
O3	C3	C4	HC41	69.7°	70.3°
O3	C3	C4	HC42	49.6°	49.3°
C4	C3	O3	HO31	46.1°	61.0°
C3	C4	C5	HC41	120.3°	120.2°
C3	C4	C5	HC42	120.4°	120.3°
C3	C4	HC41	HC42	119.0°	119.7°
C3	C4	C5	C33	153.9°	162.8°
C3	C4	C5	C6	27.3°	17.3°
HC31	C3	O3	HO31	66.4°	59.7°
HC31	C3	C4	C5	76.6°	69.9°
HC31	C3	C4	HC41	43.7°	50.2°
HC31	C3	C4	HC42	163.1°	169.8°
C5	C4	HC41	HC42	119.0°	119.6°
C4	C5	C33	C6	178.8°	179.9°
C4	C5	C33	H331	180.0°	4.2°
C4	C5	C33	H332	60.0°	115.7°
C4	C5	C33	H333	60.0°	124.3°
C4	C5	C6	C7	175.5°	179.5°
HC41	C4	C5	C33	33.6°	42.6°
HC41	C4	C5	C6	147.6°	137.5°
HC42	C4	C5	C33	85.7°	76.9°
HC42	C4	C5	C6	93.1°	103.0°
C5	C33	H331	H332	120.0°	120.0°
C5	C33	H331	H333	120.0°	120.0°
C5	C33	H332	H333	120.0°	120.0°
C33	C5	C6	C7	3.3°	0.4°
C6	C5	C33	H331	1.1°	175.9°
C6	C5	C33	H332	121.2°	64.2°
C6	C5	C33	H333	118.9°	55.8°
C5	C6	C7	C8	66.0°	56.2°
C5	C6	C7	HC71	114.0°	123.7°
H331	C33	H332	H333	120.0°	120.1°
C6	C7	C8	HC71	180.0°	179.9°
C6	C7	C8	C9	177.3°	174.8°
C6	C7	C8	HC81	2.7°	5.2°
C7	C8	C9	HC81	180.0°	180.0°
C7	C8	C9	C34	8.8°	0.0°
C7	C8	C9	C10	170.2°	180.0°
HC71	C7	C8	C9	2.7°	5.1°
HC71	C7	C8	HC81	177.3°	174.9°
C8	C9	C34	C10	178.9°	180.0°
C8	C9	C34	H341	180.0°	90.0°
C8	C9	C34	H342	60.0°	150.0°
C8	C9	C34	H343	60.0°	30.0°
C8	C9	C10	C11	174.0°	180.0°
C8	C9	C10	H101	6.0°	0.0°
HC81	C8	C9	C34	171.2°	180.0°
HC81	C8	C9	C10	9.8°	0.0°
C9	C34	H341	H342	120.0°	120.0°
C9	C34	H341	H343	120.0°	120.0°
C9	C34	H342	H343	120.0°	120.0°
C34	C9	C10	C11	5.0°	0.0°
C34	C9	C10	H101	175.1°	180.0°
C10	C9	C34	H341	1.1°	90.0°
C10	C9	C34	H342	118.9°	30.0°
C10	C9	C34	H343	121.1°	150.0°
C9	C10	C11	H101	180.0°	179.9°
C9	C10	C11	C12	170.3°	180.0°
C9	C10	C11	H111	9.7°	0.1°
H341	C34	H342	H343	120.0°	120.0°
C10	C11	C12	H111	180.0°	180.0°
C10	C11	C12	C13	174.8°	180.0°
C10	C11	C12	H121	5.3°	0.0°
H101	C10	C11	C12	9.7°	0.0°
H101	C10	C11	H111	170.3°	180.0°
C11	C12	C13	H121	180.0°	180.0°
C11	C12	C13	C35	13.6°	0.0°
C11	C12	C13	C14	161.6°	180.0°
H111	C11	C12	C13	5.2°	0.0°
H111	C11	C12	H121	174.8°	180.0°
C12	C13	C35	C14	174.9°	180.0°
C12	C13	C35	H351	180.0°	90.0°
C12	C13	C35	H352	60.0°	150.0°
C12	C13	C35	H353	60.0°	30.0°
C12	C13	C14	C15	172.8°	180.0°
C12	C13	C14	H141	7.2°	0.0°
H121	C12	C13	C35	166.4°	180.0°
H121	C12	C13	C14	18.5°	0.0°
C13	C35	H351	H352	120.0°	120.0°
C13	C35	H351	H353	120.0°	120.0°
C13	C35	H352	H353	120.0°	120.0°
C35	C13	C14	C15	2.3°	0.0°
C35	C13	C14	H141	177.6°	180.0°
C14	C13	C35	H351	5.1°	90.0°
C14	C13	C35	H352	115.0°	30.0°
C14	C13	C35	H353	125.1°	150.0°
C13	C14	C15	H141	180.0°	179.9°
C13	C14	C15	C16	179.6°	180.0°
C13	C14	C15	H151	0.4°	0.1°
H351	C35	H352	H353	120.0°	120.0°
C14	C15	C16	H151	180.0°	180.0°
C14	C15	C16	C17	170.7°	180.0°
C14	C15	C16	H161	9.3°	0.0°
H141	C14	C15	C16	0.3°	0.0°
H141	C14	C15	H151	179.6°	180.0°
C15	C16	C17	H161	180.0°	180.0°
C15	C16	C17	C18	175.7°	180.0°
C15	C16	C17	H171	4.3°	0.0°
H151	C15	C16	C17	9.2°	0.0°
H151	C15	C16	H161	170.8°	180.0°
C16	C17	C18	H171	180.0°	180.0°
C16	C17	C18	C36	5.5°	0.0°
C16	C17	C18	C19	171.0°	180.0°
H161	C16	C17	C18	4.3°	0.0°
H161	C16	C17	H171	175.7°	180.0°
C17	C18	C36	C19	176.5°	179.9°
C17	C18	C36	H361	180.0°	90.0°
C17	C18	C36	H362	60.0°	149.9°
C17	C18	C36	H363	60.0°	30.0°
C17	C18	C19	C20	177.5°	180.0°
C17	C18	C19	H191	2.5°	0.1°
H171	C17	C18	C36	174.5°	180.0°
H171	C17	C18	C19	9.0°	0.0°
C18	C36	H361	H362	120.0°	120.0°
C18	C36	H361	H363	120.0°	120.0°
C18	C36	H362	H363	120.0°	120.0°
C36	C18	C19	C20	6.0°	0.1°
C36	C18	C19	H191	174.0°	180.0°
C19	C18	C36	H361	3.5°	90.1°
C19	C18	C36	H362	123.5°	30.0°
C19	C18	C36	H363	116.5°	149.9°
C18	C19	C20	H191	180.0°	179.9°
C18	C19	C20	C21	175.4°	180.0°
C18	C19	C20	H201	4.6°	0.1°
H361	C36	H362	H363	120.0°	120.0°
C19	C20	C21	H201	180.0°	180.0°
C19	C20	C21	C22	165.2°	180.0°
C19	C20	C21	H211	14.9°	0.0°
H191	C19	C20	C21	4.6°	0.0°
H191	C19	C20	H201	175.4°	180.0°
C20	C21	C22	H211	180.0°	180.0°
C20	C21	C22	C37	2.1°	0.0°
C20	C21	C22	C23	177.9°	180.0°
H201	C20	C21	C22	14.9°	0.0°
H201	C20	C21	H211	165.1°	180.0°
C21	C22	C37	C23	180.0°	180.0°
C21	C22	C37	H371	180.0°	90.0°
C21	C22	C37	H372	60.0°	150.0°
C21	C22	C37	H373	60.0°	30.0°
C21	C22	C23	C24	163.7°	180.0°
C21	C22	C23	H231	16.3°	0.0°
H211	C21	C22	C37	177.9°	180.0°
H211	C21	C22	C23	2.1°	0.0°
C22	C37	H371	H372	120.0°	120.0°
C22	C37	H371	H373	120.0°	120.0°
C22	C37	H372	H373	120.0°	120.0°
C37	C22	C23	C24	16.2°	0.0°
C37	C22	C23	H231	163.8°	180.0°
C23	C22	C37	H371	0.1°	90.0°
C23	C22	C37	H372	120.0°	30.0°
C23	C22	C37	H373	120.0°	149.9°
C22	C23	C24	H231	180.0°	180.0°
C22	C23	C24	C25	172.8°	175.4°
C22	C23	C24	H242	7.2°	4.7°
H371	C37	H372	H373	120.0°	120.1°
C23	C24	C25	H242	180.0°	179.9°
C23	C24	C25	C26	118.5°	56.0°
C23	C24	C25	C30	71.4°	123.7°
H231	C23	C24	C25	7.2°	4.6°
H231	C23	C24	H242	172.8°	175.3°
C24	C25	C26	C30	169.4°	179.7°
C24	C25	C26	C38	4.9°	0.1°
C24	C25	C26	C27	170.4°	179.9°
C24	C25	C30	C29	160.3°	150.4°
C24	C25	C30	C40	36.3°	30.6°
C24	C25	C30	C39	82.7°	89.5°
H242	C24	C25	C26	61.5°	123.9°
H242	C24	C25	C30	108.7°	56.4°
C25	C26	C38	C27	175.3°	180.0°
C25	C26	C38	H381	180.0°	90.0°
C25	C26	C38	H382	60.0°	150.0°
C25	C26	C38	H383	60.0°	30.0°
C25	C26	C27	O27	165.4°	180.0°
C25	C26	C27	C28	12.6°	0.0°
C26	C25	C30	C29	28.8°	29.9°
C26	C25	C30	C40	152.8°	149.7°
C26	C25	C30	C39	88.1°	90.2°
C30	C25	C26	C38	174.3°	179.6°
C30	C25	C26	C27	1.0°	0.4°
C25	C30	C29	C28	43.4°	57.9°
C25	C30	C29	C40	121.9°	119.8°
C25	C30	C29	C39	121.7°	120.0°
C25	C30	C29	H291	77.2°	62.0°
C25	C30	C29	H292	164.0°	177.7°
C25	C30	C40	C39	121.0°	120.1°
C25	C30	C40	H401	180.0°	60.5°
C25	C30	C40	H402	60.0°	179.6°
C25	C30	C40	H403	60.0°	59.6°
C25	C30	C39	H391	180.0°	60.0°
C25	C30	C39	H392	60.0°	180.0°
C25	C30	C39	H393	60.0°	60.0°
C26	C38	H381	H382	120.0°	120.0°
C26	C38	H381	H383	120.0°	120.0°
C26	C38	H382	H383	120.0°	120.0°
C38	C26	C27	O27	10.0°	0.1°
C38	C26	C27	C28	172.0°	179.9°
C27	C26	C38	H381	4.7°	90.0°
C27	C26	C38	H382	124.7°	30.1°
C27	C26	C38	H383	115.3°	150.1°
C26	C27	O27	C28	178.1°	180.0°
C26	C27	C28	C29	3.8°	29.3°
C26	C27	C28	H281	124.7°	149.3°
C26	C27	C28	H282	117.1°	90.6°
H381	C38	H382	H383	120.0°	119.9°
O27	C27	C28	C29	178.2°	150.7°
O27	C27	C28	H281	57.3°	30.7°
O27	C27	C28	H282	60.9°	89.4°
C27	C28	C29	H281	120.9°	120.0°
C27	C28	C29	H282	120.9°	119.9°
C27	C28	H281	H282	117.1°	120.1°
C27	C28	C29	C30	31.0°	57.6°
C27	C28	C29	H291	89.6°	62.4°
C27	C28	C29	H292	151.7°	177.3°
C29	C28	H281	H282	117.2°	120.1°
C28	C29	C30	H291	120.6°	119.9°
C28	C29	C30	H292	120.6°	119.8°
C28	C29	H291	H292	118.1°	120.3°
C28	C29	C30	C40	165.3°	177.7°
C28	C29	C30	C39	78.3°	62.1°
H281	C28	C29	C30	151.9°	177.6°
H281	C28	C29	H291	31.3°	57.5°
H281	C28	C29	H292	87.4°	62.7°
H282	C28	C29	C30	89.8°	62.4°
H282	C28	C29	H291	149.5°	177.6°
H282	C28	C29	H292	30.8°	57.3°
C30	C29	H291	H292	118.1°	120.3°
C29	C30	C40	C39	113.1°	120.3°
C29	C30	C40	H401	54.1°	59.2°
C29	C30	C40	H402	174.1°	60.8°
C29	C30	C40	H403	65.9°	179.2°
C29	C30	C39	H391	56.5°	179.8°
C29	C30	C39	H392	63.5°	60.2°
C29	C30	C39	H393	176.5°	59.8°
H291	C29	C30	C40	44.7°	57.8°
H291	C29	C30	C39	161.1°	178.0°
H292	C29	C30	C40	74.1°	62.5°
H292	C29	C30	C39	42.4°	57.6°
C30	C40	H401	H402	120.0°	120.0°
C30	C40	H401	H403	120.0°	120.0°
C30	C40	H402	H403	120.0°	120.0°
C40	C30	C39	H391	61.7°	60.1°
C40	C30	C39	H392	178.3°	60.0°
C40	C30	C39	H393	58.3°	179.9°
C39	C30	C40	H401	59.0°	179.5°
C39	C30	C40	H402	61.0°	59.5°
C39	C30	C40	H403	179.0°	60.5°
C30	C39	H391	H392	120.0°	120.0°
C30	C39	H391	H393	120.0°	120.0°
C30	C39	H392	H393	120.0°	120.0°
H401	C40	H402	H403	119.9°	120.0°
H391	C39	H392	H393	120.0°	120.0°

Definition date:	2002-07-29
Last modified:	2017-05-03
Release status:	OBS
Processing site:	RCSB
Replaced by:	EQ3
Derived from:	1M98