BCR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.61Å
C1	C6	sing	0.00Å	1.58Å
C1	C31	sing	0.00Å	1.54Å
C1	C32	sing	0.00Å	1.53Å
C2	C3	sing	0.00Å	1.48Å
C2	HC21	sing	0.00Å	1.11Å
C2	HC22	sing	0.00Å	1.12Å
C3	C4	sing	0.00Å	1.54Å
C3	HC31	sing	0.00Å	1.11Å
C3	HC32	sing	0.00Å	1.12Å
C4	C5	sing	0.00Å	1.50Å
C4	HC41	sing	0.00Å	1.12Å
C4	HC42	sing	0.00Å	1.12Å
C5	C6	doub	0.00Å	1.37Å
C5	C33	sing	0.00Å	1.53Å
C6	C7	sing	0.00Å	1.50Å
C7	C8	doub	0.00Å	1.36Å
C7	HC7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.46Å
C8	HC8	sing	0.00Å	1.10Å
C9	C10	doub	0.00Å	1.36Å
C9	C34	sing	0.00Å	1.50Å
C10	C11	sing	0.00Å	1.43Å
C10	H10C	sing	0.00Å	1.10Å
C11	C12	doub	0.00Å	1.36Å
C11	H11C	sing	0.00Å	1.10Å
C33	H331	sing	0.00Å	1.12Å
C33	H332	sing	0.00Å	1.11Å
C33	H333	sing	0.00Å	1.12Å
C31	H311	sing	0.00Å	1.11Å
C31	H312	sing	0.00Å	1.11Å
C31	H313	sing	0.00Å	1.11Å
C32	H321	sing	0.00Å	1.11Å
C32	H322	sing	0.00Å	1.12Å
C32	H323	sing	0.00Å	1.11Å
C34	H341	sing	0.00Å	1.11Å
C34	H342	sing	0.00Å	1.12Å
C34	H343	sing	0.00Å	1.11Å
C12	C13	sing	0.00Å	1.44Å
C12	H12C	sing	0.00Å	1.10Å
C13	C14	doub	0.00Å	1.38Å
C13	C35	sing	0.00Å	1.52Å
C14	C15	sing	0.00Å	1.42Å
C14	H14C	sing	0.00Å	1.10Å
C15	C16	doub	0.00Å	1.36Å
C15	H15C	sing	0.00Å	1.10Å
C16	C17	sing	0.00Å	1.43Å
C16	H16C	sing	0.00Å	1.10Å
C17	C18	doub	0.00Å	1.36Å
C17	H17C	sing	0.00Å	1.10Å
C18	C19	sing	0.00Å	1.42Å
C18	C36	sing	0.00Å	1.49Å
C19	C20	doub	0.00Å	1.36Å
C19	H19C	sing	0.00Å	1.10Å
C20	C21	sing	0.00Å	1.42Å
C20	H20C	sing	0.00Å	1.10Å
C21	C22	doub	0.00Å	1.37Å
C21	H21C	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.43Å
C22	C37	sing	0.00Å	1.52Å
C23	C24	doub	0.00Å	1.37Å
C23	H23C	sing	0.00Å	1.10Å
C24	C25	sing	0.00Å	1.45Å
C24	H24C	sing	0.00Å	1.10Å
C25	C26	doub	0.00Å	1.40Å
C25	C30	sing	0.00Å	1.60Å
C26	C27	sing	0.00Å	1.50Å
C26	C38	sing	0.00Å	1.53Å
C27	C28	sing	0.00Å	1.53Å
C27	H271	sing	0.00Å	1.12Å
C27	H272	sing	0.00Å	1.11Å
C28	C29	sing	0.00Å	1.48Å
C28	H281	sing	0.00Å	1.11Å
C28	H282	sing	0.00Å	1.12Å
C29	C30	sing	0.00Å	1.60Å
C29	H291	sing	0.00Å	1.12Å
C29	H292	sing	0.00Å	1.12Å
C30	C39	sing	0.00Å	1.54Å
C30	C40	sing	0.00Å	1.54Å
C35	H351	sing	0.00Å	1.12Å
C35	H352	sing	0.00Å	1.11Å
C35	H353	sing	0.00Å	1.11Å
C36	H361	sing	0.00Å	1.12Å
C36	H362	sing	0.00Å	1.11Å
C36	H363	sing	0.00Å	1.12Å
C37	H371	sing	0.00Å	1.12Å
C37	H372	sing	0.00Å	1.11Å
C37	H373	sing	0.00Å	1.11Å
C38	H381	sing	0.00Å	1.11Å
C38	H382	sing	0.00Å	1.11Å
C38	H383	sing	0.00Å	1.11Å
C39	H391	sing	0.00Å	1.12Å
C39	H392	sing	0.00Å	1.11Å
C39	H393	sing	0.00Å	1.11Å
C40	H401	sing	0.00Å	1.12Å
C40	H402	sing	0.00Å	1.12Å
C40	H403	sing	0.00Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	116.2°	90.0°
C2	C1	C31	106.8°	90.0°
C2	C1	C32	101.7°	90.0°
C1	C2	C3	115.5°	90.0°
C1	C2	HC21	110.0°	90.0°
C1	C2	HC22	110.0°	90.0°
C6	C1	C31	110.4°	90.0°
C6	C1	C32	113.1°	90.0°
C1	C6	C5	118.5°	90.0°
C1	C6	C7	122.0°	90.0°
C31	C1	C32	107.9°	90.0°
C1	C31	H311	106.8°	90.0°
C1	C31	H312	113.2°	90.0°
C1	C31	H313	113.2°	90.0°
C1	C32	H321	101.8°	90.0°
C1	C32	H322	115.2°	90.0°
C1	C32	H323	115.2°	90.0°
C3	C2	HC21	110.0°	90.0°
C3	C2	HC22	110.0°	90.0°
C2	C3	C4	110.2°	90.0°
C2	C3	HC31	111.9°	90.0°
C2	C3	HC32	111.9°	90.0°
HC21	C2	HC22	100.2°	90.0°
C4	C3	HC31	112.0°	90.0°
C4	C3	HC32	112.0°	90.0°
C3	C4	C5	116.1°	90.0°
C3	C4	HC41	109.9°	90.0°
C3	C4	HC42	109.8°	90.0°
HC31	C3	HC32	98.5°	90.0°
C5	C4	HC41	109.8°	90.0°
C5	C4	HC42	109.8°	90.0°
C4	C5	C6	122.9°	90.0°
C4	C5	C33	107.4°	90.0°
HC41	C4	HC42	100.3°	90.0°
C6	C5	C33	129.7°	90.0°
C5	C6	C7	119.5°	90.0°
C5	C33	H331	107.4°	90.0°
C5	C33	H332	113.0°	90.0°
C5	C33	H333	112.9°	90.0°
C6	C7	C8	133.6°	90.0°
C6	C7	HC7	119.7°	90.0°
C8	C7	HC7	106.7°	90.0°
C7	C8	C9	130.8°	90.0°
C7	C8	HC8	110.0°	90.0°
C9	C8	HC8	119.2°	90.0°
C8	C9	C10	116.6°	90.0°
C8	C9	C34	121.4°	90.0°
C10	C9	C34	121.9°	90.0°
C9	C10	C11	129.1°	90.0°
C9	C10	H10C	112.8°	90.0°
C9	C34	H341	121.4°	90.0°
C9	C34	H342	107.9°	90.0°
C9	C34	H343	107.9°	90.0°
C11	C10	H10C	118.1°	90.0°
C10	C11	C12	125.9°	90.0°
C10	C11	H11C	119.8°	90.0°
C12	C11	H11C	114.2°	90.0°
C11	C12	C13	128.2°	90.0°
C11	C12	H12C	112.3°	90.0°
H331	C33	H332	113.0°	90.0°
H331	C33	H333	113.0°	90.0°
H332	C33	H333	97.5°	90.0°
H311	C31	H312	113.2°	90.0°
H311	C31	H313	113.2°	90.0°
H312	C31	H313	97.3°	90.0°
H321	C32	H322	115.1°	90.0°
H321	C32	H323	115.2°	90.0°
H322	C32	H323	95.2°	90.0°
H341	C34	H342	107.9°	90.0°
H341	C34	H343	108.0°	90.0°
H342	C34	H343	102.0°	90.0°
C13	C12	H12C	119.5°	90.0°
C12	C13	C14	116.8°	90.0°
C12	C13	C35	121.2°	90.0°
C14	C13	C35	122.0°	90.0°
C13	C14	C15	129.4°	90.0°
C13	C14	H14C	113.2°	90.0°
C13	C35	H351	121.2°	90.0°
C13	C35	H352	108.0°	90.0°
C13	C35	H353	108.0°	90.0°
C15	C14	H14C	117.4°	90.0°
C14	C15	C16	124.8°	90.0°
C14	C15	H15C	120.3°	90.0°
C16	C15	H15C	114.9°	90.0°
C15	C16	C17	123.3°	90.0°
C15	C16	H16C	115.6°	90.0°
C17	C16	H16C	121.1°	90.0°
C16	C17	C18	129.8°	90.0°
C16	C17	H17C	118.1°	90.0°
C18	C17	H17C	112.1°	90.0°
C17	C18	C19	117.5°	90.0°
C17	C18	C36	121.5°	90.0°
C19	C18	C36	121.0°	90.0°
C18	C19	C20	128.5°	90.0°
C18	C19	H19C	118.4°	90.0°
C18	C36	H361	121.5°	90.0°
C18	C36	H362	107.9°	90.0°
C18	C36	H363	108.0°	90.0°
C20	C19	H19C	113.1°	90.0°
C19	C20	C21	125.5°	90.0°
C19	C20	H20C	115.1°	90.0°
C21	C20	H20C	119.4°	90.0°
C20	C21	C22	130.3°	90.0°
C20	C21	H21C	117.0°	90.0°
C22	C21	H21C	112.8°	90.0°
C21	C22	C23	116.2°	90.0°
C21	C22	C37	122.4°	90.0°
C23	C22	C37	121.4°	90.0°
C22	C23	C24	131.1°	90.0°
C22	C23	H23C	116.8°	90.0°
C22	C37	H371	122.5°	90.0°
C22	C37	H372	107.6°	90.0°
C22	C37	H373	107.6°	90.0°
C24	C23	H23C	112.0°	90.0°
C23	C24	C25	136.5°	90.0°
C23	C24	H24C	107.7°	90.0°
C25	C24	H24C	115.8°	90.0°
C24	C25	C26	120.8°	90.0°
C24	C25	C30	121.1°	90.0°
C26	C25	C30	118.1°	90.0°
C25	C26	C27	122.6°	90.0°
C25	C26	C38	131.2°	90.0°
C25	C30	C29	115.3°	90.0°
C25	C30	C39	111.8°	90.0°
C25	C30	C40	113.5°	90.0°
C27	C26	C38	106.1°	90.0°
C26	C27	C28	115.3°	90.0°
C26	C27	H271	110.1°	90.0°
C26	C27	H272	110.1°	90.0°
C26	C38	H381	131.2°	90.0°
C26	C38	H382	104.6°	90.0°
C26	C38	H383	104.6°	90.0°
C28	C27	H271	110.0°	90.0°
C28	C27	H272	110.0°	90.0°
C27	C28	C29	109.6°	90.0°
C27	C28	H281	112.2°	90.0°
C27	C28	H282	112.2°	90.0°
H271	C27	H272	100.2°	90.0°
C29	C28	H281	112.1°	90.0°
C29	C28	H282	112.2°	90.0°
C28	C29	C30	114.7°	90.0°
C28	C29	H291	110.3°	90.0°
C28	C29	H292	110.3°	90.0°
H281	C28	H282	98.2°	90.0°
C30	C29	H291	110.3°	90.0°
C30	C29	H292	110.3°	90.0°
C29	C30	C39	105.7°	90.0°
C29	C30	C40	102.2°	90.0°
H291	C29	H292	99.9°	90.0°
C39	C30	C40	107.5°	90.0°
C30	C39	H391	111.9°	90.0°
C30	C39	H392	111.3°	90.0°
C30	C39	H393	111.4°	90.0°
C30	C40	H401	113.4°	90.0°
C30	C40	H402	110.8°	90.0°
C30	C40	H403	110.8°	90.0°
H351	C35	H352	108.0°	90.0°
H351	C35	H353	108.1°	90.0°
H352	C35	H353	101.9°	90.0°
H361	C36	H362	107.9°	90.0°
H361	C36	H363	107.8°	90.0°
H362	C36	H363	102.0°	90.0°
H371	C37	H372	107.6°	90.0°
H371	C37	H373	107.5°	90.0°
H372	C37	H373	102.2°	90.0°
H381	C38	H382	104.7°	90.0°
H381	C38	H383	104.7°	90.0°
H382	C38	H383	104.3°	90.0°
H391	C39	H392	111.3°	90.0°
H391	C39	H393	111.3°	90.0°
H392	C39	H393	99.0°	90.0°
H401	C40	H402	110.7°	90.0°
H401	C40	H403	110.7°	90.0°
H402	C40	H403	99.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C31	121.8°	90.0°
C2	C1	C6	C32	117.2°	90.0°
C2	C1	C31	C32	108.7°	90.0°
C1	C2	C3	HC21	125.3°	90.0°
C1	C2	C3	HC22	125.2°	90.0°
C1	C2	HC21	HC22	115.8°	90.0°
C1	C2	C3	C4	47.5°	90.0°
C1	C2	C3	HC31	77.8°	90.0°
C1	C2	C3	HC32	172.7°	90.0°
C2	C1	C6	C5	2.4°	90.0°
C2	C1	C6	C7	179.3°	90.0°
C2	C1	C31	H311	180.0°	90.0°
C2	C1	C31	H312	54.8°	90.0°
C2	C1	C31	H313	54.7°	90.0°
C2	C1	C32	H321	180.0°	90.0°
C2	C1	C32	H322	54.7°	90.0°
C2	C1	C32	H323	54.7°	90.0°
C6	C1	C31	C32	124.1°	90.0°
C6	C1	C2	C3	22.7°	90.0°
C6	C1	C2	HC21	148.0°	90.0°
C6	C1	C2	HC22	102.5°	90.0°
C1	C6	C5	C4	0.7°	90.0°
C1	C6	C5	C7	178.3°	90.0°
C1	C6	C5	C33	180.0°	90.0°
C1	C6	C7	C8	114.4°	90.0°
C1	C6	C7	HC7	65.5°	90.0°
C6	C1	C31	H311	52.8°	90.0°
C6	C1	C31	H312	178.0°	90.0°
C6	C1	C31	H313	72.5°	90.0°
C6	C1	C32	H321	54.5°	90.0°
C6	C1	C32	H322	70.7°	90.0°
C6	C1	C32	H323	179.8°	90.0°
C31	C1	C2	C3	101.0°	90.0°
C31	C1	C2	HC21	24.3°	90.0°
C31	C1	C2	HC22	133.8°	90.0°
C31	C1	C6	C5	124.2°	90.0°
C31	C1	C6	C7	57.5°	90.0°
C1	C31	H311	H312	125.2°	90.0°
C1	C31	H311	H313	125.2°	90.0°
C1	C31	H312	H313	119.1°	90.0°
C31	C1	C32	H321	67.8°	90.0°
C31	C1	C32	H322	166.9°	90.0°
C31	C1	C32	H323	57.5°	90.0°
C32	C1	C2	C3	146.1°	90.0°
C32	C1	C2	HC21	88.7°	90.0°
C32	C1	C2	HC22	20.8°	90.0°
C32	C1	C6	C5	114.8°	90.0°
C32	C1	C6	C7	63.5°	90.0°
C32	C1	C31	H311	71.3°	90.0°
C32	C1	C31	H312	53.9°	90.0°
C32	C1	C31	H313	163.5°	90.0°
C1	C32	H321	H322	125.3°	90.0°
C1	C32	H321	H323	125.3°	90.0°
C1	C32	H322	H323	121.0°	90.0°
C3	C2	HC21	HC22	115.8°	90.0°
C2	C3	C4	HC31	125.2°	90.0°
C2	C3	C4	HC32	125.3°	90.0°
C2	C3	HC31	HC32	117.9°	90.0°
C2	C3	C4	C5	51.2°	90.0°
C2	C3	C4	HC41	176.5°	90.0°
C2	C3	C4	HC42	74.1°	90.0°
HC21	C2	C3	C4	172.8°	90.0°
HC21	C2	C3	HC31	47.5°	90.0°
HC21	C2	C3	HC32	62.0°	90.0°
HC22	C2	C3	C4	77.7°	90.0°
HC22	C2	C3	HC31	157.0°	90.0°
HC22	C2	C3	HC32	47.5°	90.0°
C4	C3	HC31	HC32	117.9°	90.0°
C3	C4	C5	HC41	125.3°	90.0°
C3	C4	C5	HC42	125.3°	90.0°
C3	C4	HC41	HC42	115.6°	90.0°
C3	C4	C5	C6	28.1°	90.0°
C3	C4	C5	C33	152.5°	90.0°
HC31	C3	C4	C5	74.1°	90.0°
HC31	C3	C4	HC41	51.3°	90.0°
HC31	C3	C4	HC42	160.7°	90.0°
HC32	C3	C4	C5	176.4°	90.0°
HC32	C3	C4	HC41	58.2°	90.0°
HC32	C3	C4	HC42	51.2°	90.0°
C5	C4	HC41	HC42	115.6°	90.0°
C4	C5	C6	C33	179.3°	90.0°
C4	C5	C6	C7	177.6°	90.0°
C4	C5	C33	H331	180.0°	90.0°
C4	C5	C33	H332	54.7°	90.0°
C4	C5	C33	H333	54.8°	90.0°
HC41	C4	C5	C6	153.4°	90.0°
HC41	C4	C5	C33	27.2°	90.0°
HC42	C4	C5	C6	97.2°	90.0°
HC42	C4	C5	C33	82.2°	90.0°
C5	C6	C7	C8	63.8°	90.0°
C5	C6	C7	HC7	116.2°	90.0°
C6	C5	C33	H331	0.6°	90.0°
C6	C5	C33	H332	125.9°	90.0°
C6	C5	C33	H333	124.6°	90.0°
C33	C5	C6	C7	1.7°	90.0°
C5	C33	H331	H332	125.3°	90.0°
C5	C33	H331	H333	125.2°	90.0°
C5	C33	H332	H333	118.9°	90.0°
C6	C7	C8	HC7	180.0°	90.0°
C6	C7	C8	C9	175.7°	90.0°
C6	C7	C8	HC8	4.2°	90.0°
C7	C8	C9	HC8	180.0°	90.0°
C7	C8	C9	C10	175.9°	90.0°
C7	C8	C9	C34	0.9°	90.0°
HC7	C7	C8	C9	4.3°	90.0°
HC7	C7	C8	HC8	175.8°	90.0°
C8	C9	C10	C34	176.8°	90.0°
C8	C9	C10	C11	169.3°	90.0°
C8	C9	C10	H10C	10.7°	90.0°
C8	C9	C34	H341	180.0°	90.0°
C8	C9	C34	H342	54.8°	90.0°
C8	C9	C34	H343	54.7°	90.0°
HC8	C8	C9	C10	4.1°	90.0°
HC8	C8	C9	C34	179.1°	90.0°
C9	C10	C11	H10C	180.0°	90.0°
C9	C10	C11	C12	179.8°	90.0°
C9	C10	C11	H11C	0.2°	90.0°
C10	C9	C34	H341	3.4°	90.0°
C10	C9	C34	H342	128.6°	90.0°
C10	C9	C34	H343	121.9°	90.0°
C34	C9	C10	C11	7.5°	90.0°
C34	C9	C10	H10C	172.5°	90.0°
C9	C34	H341	H342	125.2°	90.0°
C9	C34	H341	H343	125.3°	90.0°
C9	C34	H342	H343	113.6°	90.0°
C10	C11	C12	H11C	180.0°	90.0°
C10	C11	C12	C13	178.0°	90.0°
C10	C11	C12	H12C	2.0°	90.0°
H10C	C10	C11	C12	0.2°	90.0°
H10C	C10	C11	H11C	179.9°	90.0°
C11	C12	C13	H12C	180.0°	90.0°
C11	C12	C13	C14	179.5°	90.0°
C11	C12	C13	C35	0.5°	90.0°
H11C	C11	C12	C13	2.0°	90.0°
H11C	C11	C12	H12C	178.0°	90.0°
H331	C33	H332	H333	118.9°	90.0°
H311	C31	H312	H313	119.2°	90.0°
H321	C32	H322	H323	121.0°	90.0°
H341	C34	H342	H343	113.6°	90.0°
C12	C13	C14	C35	180.0°	90.0°
C12	C13	C14	C15	175.1°	90.0°
C12	C13	C14	H14C	4.9°	90.0°
C12	C13	C35	H351	180.0°	90.0°
C12	C13	C35	H352	54.8°	90.0°
C12	C13	C35	H353	54.7°	90.0°
H12C	C12	C13	C14	0.5°	90.0°
H12C	C12	C13	C35	179.5°	90.0°
C13	C14	C15	H14C	179.9°	90.0°
C13	C14	C15	C16	179.6°	90.0°
C13	C14	C15	H15C	0.3°	90.0°
C14	C13	C35	H351	0.1°	90.0°
C14	C13	C35	H352	125.2°	90.0°
C14	C13	C35	H353	125.3°	90.0°
C35	C13	C14	C15	4.9°	90.0°
C35	C13	C14	H14C	175.1°	90.0°
C13	C35	H351	H352	125.2°	90.0°
C13	C35	H351	H353	125.3°	90.0°
C13	C35	H352	H353	113.6°	90.0°
C14	C15	C16	H15C	180.0°	90.0°
C14	C15	C16	C17	172.2°	90.0°
C14	C15	C16	H16C	7.8°	90.0°
H14C	C14	C15	C16	0.3°	90.0°
H14C	C14	C15	H15C	179.7°	90.0°
C15	C16	C17	H16C	180.0°	90.0°
C15	C16	C17	C18	179.6°	90.0°
C15	C16	C17	H17C	0.4°	90.0°
H15C	C15	C16	C17	7.7°	90.0°
H15C	C15	C16	H16C	172.3°	90.0°
C16	C17	C18	H17C	180.0°	90.0°
C16	C17	C18	C19	173.4°	90.0°
C16	C17	C18	C36	5.8°	90.0°
H16C	C16	C17	C18	0.4°	90.0°
H16C	C16	C17	H17C	179.6°	90.0°
C17	C18	C19	C36	179.2°	90.0°
C17	C18	C19	C20	179.9°	90.0°
C17	C18	C19	H19C	0.1°	90.0°
C17	C18	C36	H361	180.0°	90.0°
C17	C18	C36	H362	54.7°	90.0°
C17	C18	C36	H363	54.8°	90.0°
H17C	C17	C18	C19	6.6°	90.0°
H17C	C17	C18	C36	174.2°	90.0°
C18	C19	C20	H19C	180.0°	90.0°
C18	C19	C20	C21	172.7°	90.0°
C18	C19	C20	H20C	7.3°	90.0°
C19	C18	C36	H361	0.8°	90.0°
C19	C18	C36	H362	126.1°	90.0°
C19	C18	C36	H363	124.4°	90.0°
C36	C18	C19	C20	0.7°	90.0°
C36	C18	C19	H19C	179.3°	90.0°
C18	C36	H361	H362	125.3°	90.0°
C18	C36	H361	H363	125.3°	90.0°
C18	C36	H362	H363	113.6°	90.0°
C19	C20	C21	H20C	180.0°	90.0°
C19	C20	C21	C22	179.9°	90.0°
C19	C20	C21	H21C	0.1°	90.0°
H19C	C19	C20	C21	7.3°	90.0°
H19C	C19	C20	H20C	172.7°	90.0°
C20	C21	C22	H21C	180.0°	90.0°
C20	C21	C22	C23	179.8°	90.0°
C20	C21	C22	C37	0.6°	90.0°
H20C	C20	C21	C22	0.1°	90.0°
H20C	C20	C21	H21C	179.9°	90.0°
C21	C22	C23	C37	179.2°	90.0°
C21	C22	C23	C24	179.2°	90.0°
C21	C22	C23	H23C	0.8°	90.0°
C21	C22	C37	H371	180.0°	90.0°
C21	C22	C37	H372	54.7°	90.0°
C21	C22	C37	H373	54.7°	90.0°
H21C	C21	C22	C23	0.2°	90.0°
H21C	C21	C22	C37	179.4°	90.0°
C22	C23	C24	H23C	180.0°	90.0°
C22	C23	C24	C25	171.7°	90.0°
C22	C23	C24	H24C	8.3°	90.0°
C23	C22	C37	H371	0.9°	90.0°
C23	C22	C37	H372	126.2°	90.0°
C23	C22	C37	H373	124.4°	90.0°
C37	C22	C23	C24	1.6°	90.0°
C37	C22	C23	H23C	178.4°	90.0°
C22	C37	H371	H372	125.3°	90.0°
C22	C37	H371	H373	125.3°	90.0°
C22	C37	H372	H373	113.2°	90.0°
C23	C24	C25	H24C	180.0°	90.0°
C23	C24	C25	C26	37.2°	90.0°
C23	C24	C25	C30	142.7°	90.0°
H23C	C23	C24	C25	8.3°	90.0°
H23C	C23	C24	H24C	171.8°	90.0°
C24	C25	C26	C30	179.9°	90.0°
C24	C25	C26	C27	179.9°	90.0°
C24	C25	C26	C38	1.0°	90.0°
C24	C25	C30	C29	179.4°	90.0°
C24	C25	C30	C39	58.5°	90.0°
C24	C25	C30	C40	63.2°	90.0°
H24C	C24	C25	C26	142.8°	90.0°
H24C	C24	C25	C30	37.3°	90.0°
C25	C26	C27	C38	179.3°	90.0°
C25	C26	C27	C28	27.5°	90.0°
C25	C26	C27	H271	97.7°	90.0°
C25	C26	C27	H272	152.8°	90.0°
C26	C25	C30	C29	0.8°	90.0°
C26	C25	C30	C39	121.6°	90.0°
C26	C25	C30	C40	116.6°	90.0°
C25	C26	C38	H381	180.0°	90.0°
C25	C26	C38	H382	54.7°	90.0°
C25	C26	C38	H383	54.7°	90.0°
C30	C25	C26	C27	0.3°	90.0°
C30	C25	C26	C38	178.8°	90.0°
C25	C30	C29	C28	27.3°	90.0°
C25	C30	C29	C39	124.1°	90.0°
C25	C30	C29	C40	123.6°	90.0°
C25	C30	C29	H291	98.0°	90.0°
C25	C30	C29	H292	152.5°	90.0°
C25	C30	C39	C40	125.1°	90.0°
C25	C30	C39	H391	180.0°	90.0°
C25	C30	C39	H392	54.7°	90.0°
C25	C30	C39	H393	54.8°	90.0°
C25	C30	C40	H401	180.0°	90.0°
C25	C30	C40	H402	54.8°	90.0°
C25	C30	C40	H403	54.8°	90.0°
C26	C27	C28	H271	125.3°	90.0°
C26	C27	C28	H272	125.3°	90.0°
C26	C27	H271	H272	116.0°	90.0°
C26	C27	C28	C29	54.0°	90.0°
C26	C27	C28	H281	179.3°	90.0°
C26	C27	C28	H282	71.2°	90.0°
C27	C26	C38	H381	0.8°	90.0°
C27	C26	C38	H382	124.5°	90.0°
C27	C26	C38	H383	126.1°	90.0°
C38	C26	C27	C28	153.2°	90.0°
C38	C26	C27	H271	81.6°	90.0°
C38	C26	C27	H272	28.0°	90.0°
C26	C38	H381	H382	125.2°	90.0°
C26	C38	H381	H383	125.3°	90.0°
C26	C38	H382	H383	109.7°	90.0°
C28	C27	H271	H272	115.9°	90.0°
C27	C28	C29	H281	125.3°	90.0°
C27	C28	C29	H282	125.3°	90.0°
C27	C28	H281	H282	118.1°	90.0°
C27	C28	C29	C30	53.1°	90.0°
C27	C28	C29	H291	72.2°	90.0°
C27	C28	C29	H292	178.3°	90.0°
H271	C27	C28	C29	71.2°	90.0°
H271	C27	C28	H281	54.0°	90.0°
H271	C27	C28	H282	163.5°	90.0°
H272	C27	C28	C29	179.3°	90.0°
H272	C27	C28	H281	55.5°	90.0°
H272	C27	C28	H282	54.0°	90.0°
C29	C28	H281	H282	118.0°	90.0°
C28	C29	C30	H291	125.3°	90.0°
C28	C29	C30	H292	125.3°	90.0°
C28	C29	H291	H292	116.2°	90.0°
C28	C29	C30	C39	96.8°	90.0°
C28	C29	C30	C40	150.8°	90.0°
H281	C28	C29	C30	178.4°	90.0°
H281	C28	C29	H291	53.1°	90.0°
H281	C28	C29	H292	56.4°	90.0°
H282	C28	C29	C30	72.2°	90.0°
H282	C28	C29	H291	162.5°	90.0°
H282	C28	C29	H292	53.0°	90.0°
C30	C29	H291	H292	116.1°	90.0°
C29	C30	C39	C40	108.6°	90.0°
C29	C30	C39	H391	53.7°	90.0°
C29	C30	C39	H392	71.5°	90.0°
C29	C30	C39	H393	179.0°	90.0°
C29	C30	C40	H401	55.2°	90.0°
C29	C30	C40	H402	179.6°	90.0°
C29	C30	C40	H403	70.1°	90.0°
H291	C29	C30	C39	137.9°	90.0°
H291	C29	C30	C40	25.5°	90.0°
H292	C29	C30	C39	28.4°	90.0°
H292	C29	C30	C40	83.9°	90.0°
C30	C39	H391	H392	125.3°	90.0°
C30	C39	H391	H393	125.3°	90.0°
C30	C39	H392	H393	117.3°	90.0°
C39	C30	C40	H401	55.8°	90.0°
C39	C30	C40	H402	69.4°	90.0°
C39	C30	C40	H403	178.9°	90.0°
C40	C30	C39	H391	54.9°	90.0°
C40	C30	C39	H392	179.9°	90.0°
C40	C30	C39	H393	70.4°	90.0°
C30	C40	H401	H402	125.2°	90.0°
C30	C40	H401	H403	125.3°	90.0°
C30	C40	H402	H403	116.7°	90.0°
H351	C35	H352	H353	113.7°	90.0°
H361	C36	H362	H363	113.4°	90.0°
H371	C37	H372	H373	113.1°	90.0°
H381	C38	H382	H383	109.8°	90.0°
H391	C39	H392	H393	117.2°	90.0°
H401	C40	H402	H403	116.6°	90.0°

Definition date:	2001-06-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1JB0