DBK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.52Å	1.53Å
C1	C5	sing	1.51Å	1.52Å
C1	C10	sing	1.47Å	1.53Å
C2	C3	sing	1.54Å	1.53Å
C3	O3	sing	1.45Å	1.44Å
C3	C4	sing	1.51Å	1.53Å
O3	C21	sing	1.35Å	1.36Å
C4	C5	doub	1.30Å	1.39Å
C4	C26	sing	1.51Å	1.53Å
O4	C21	doub	1.21Å	1.23Å
C5	C6	sing	1.51Å	1.53Å
O5	C6	sing	1.45Å	1.43Å
O5	C12	sing	1.36Å	1.36Å
C6	C7	sing	1.51Å	1.52Å
O6	C7	sing	1.43Å	1.43Å
C7	C8	sing	1.49Å	1.53Å
C7	C11	sing	1.53Å	1.53Å
O7	C8	sing	1.45Å	1.43Å
O7	C27	sing	1.34Å	1.36Å
C8	C9	sing	1.51Å	1.53Å
O8	C27	doub	1.21Å	1.24Å
C9	C10	sing	1.53Å	1.53Å
O9	C10	sing	1.45Å	1.43Å
O9	C32	sing	1.34Å	1.37Å
C10	C31	sing	1.53Å	1.53Å
O10	C32	doub	1.21Å	1.22Å
C11	O11	sing	1.43Å	1.43Å
C11	C12	sing	1.52Å	1.53Å
C11	C34	sing	1.53Å	1.53Å
C12	O12	doub	1.21Å	1.23Å
C21	C22	sing	1.47Å	1.53Å
C22	C23	sing	1.51Å	1.53Å
C22	C24	doub	1.33Å	1.39Å
C24	C25	sing	1.51Å	1.53Å
C27	C28	sing	1.51Å	1.53Å
C28	C35	sing	1.53Å	1.53Å
C32	C33	sing	1.51Å	1.53Å
C35	C36	sing	1.53Å	1.53Å
C36	C37	sing	1.53Å	1.53Å
C37	C38	sing	1.53Å	1.53Å
C38	C39	sing	1.53Å	1.53Å
C39	C40	sing	1.53Å	1.53Å
C40	C41	sing	1.53Å	1.53Å
C41	C42	sing	1.53Å	1.53Å
C42	C43	sing	1.53Å	1.53Å
C43	C44	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
O11	HO11	sing	0.97Å	0.95Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C23	H23B	sing	1.09Å	1.10Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C25	H25B	sing	1.09Å	1.10Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C26	H26B	sing	1.09Å	1.10Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C31	H31	sing	1.09Å	1.10Å
C31	H31A	sing	1.09Å	1.10Å
C31	H31B	sing	1.09Å	1.10Å
C33	H33	sing	1.09Å	1.10Å
C33	H33A	sing	1.09Å	1.10Å
C33	H33B	sing	1.09Å	1.10Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C34	H34B	sing	1.09Å	1.10Å
C35	H35	sing	1.09Å	1.10Å
C35	H35A	sing	1.09Å	1.10Å
C36	H36	sing	1.09Å	1.10Å
C36	H36A	sing	1.09Å	1.10Å
C37	H37	sing	1.09Å	1.10Å
C37	H37A	sing	1.09Å	1.10Å
C38	H38	sing	1.09Å	1.10Å
C38	H38A	sing	1.09Å	1.10Å
C39	H39	sing	1.09Å	1.10Å
C39	H39A	sing	1.09Å	1.10Å
C40	H40	sing	1.09Å	1.10Å
C40	H40A	sing	1.09Å	1.10Å
C41	H41	sing	1.09Å	1.10Å
C41	H41A	sing	1.09Å	1.10Å
C42	H42	sing	1.09Å	1.10Å
C42	H42A	sing	1.09Å	1.10Å
C43	H43	sing	1.09Å	1.10Å
C43	H43A	sing	1.09Å	1.10Å
C44	H44	sing	1.09Å	1.10Å
C44	H44A	sing	1.09Å	1.10Å
C44	H44B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	105.3°	107.6°
C2	C1	C10	111.5°	118.0°
C1	C2	C3	107.8°	102.8°
C2	C1	H1	111.6°	104.0°
C1	C2	H2	110.0°	110.7°
C1	C2	H2A	110.0°	110.7°
C5	C1	C10	111.5°	117.3°
C1	C5	C4	110.6°	110.6°
C1	C5	C6	128.0°	122.0°
C5	C1	H1	111.6°	103.9°
C1	C10	C9	112.3°	114.9°
C1	C10	O9	102.8°	108.5°
C1	C10	C31	111.6°	108.5°
C10	C1	H1	105.4°	104.1°
C2	C3	O3	111.9°	110.1°
C2	C3	C4	104.8°	106.3°
C3	C2	H2	110.0°	110.8°
C3	C2	H2A	110.0°	110.7°
C2	C3	H3	110.6°	110.1°
O3	C3	C4	108.5°	110.1°
C3	O3	C21	109.6°	117.0°
O3	C3	H3	107.1°	110.1°
C3	C4	C5	111.0°	111.9°
C3	C4	C26	125.0°	124.1°
C4	C3	H3	114.0°	110.1°
O3	C21	O4	119.0°	120.0°
O3	C21	C22	121.3°	120.0°
C5	C4	C26	123.9°	124.0°
C4	C5	C6	121.4°	127.2°
C4	C26	H26	109.5°	109.5°
C4	C26	H26A	109.5°	109.5°
C4	C26	H26B	109.5°	109.5°
O4	C21	C22	119.6°	120.0°
C5	C6	O5	111.2°	113.6°
C5	C6	C7	111.4°	109.7°
C5	C6	H6	104.9°	109.6°
C6	O5	C12	103.8°	106.9°
O5	C6	C7	102.0°	105.1°
O5	C6	H6	113.9°	109.6°
O5	C12	C11	110.8°	108.2°
O5	C12	O12	124.0°	125.9°
C6	C7	O6	110.7°	107.4°
C6	C7	C8	114.2°	115.2°
C6	C7	C11	97.4°	103.5°
C7	C6	H6	113.7°	109.0°
O6	C7	C8	110.9°	107.7°
O6	C7	C11	108.9°	107.4°
C7	O6	HO6	109.5°	113.9°
C8	C7	C11	114.0°	115.1°
C7	C8	O7	112.8°	108.9°
C7	C8	C9	114.8°	112.1°
C7	C8	H8	104.2°	109.0°
C7	C11	O11	109.5°	110.6°
C7	C11	C12	99.4°	103.9°
C7	C11	C34	112.8°	110.6°
C8	O7	C27	107.4°	117.0°
O7	C8	C9	112.4°	108.9°
O7	C8	H8	107.0°	108.9°
O7	C27	O8	118.1°	120.0°
O7	C27	C28	121.4°	120.0°
C8	C9	C10	116.2°	111.3°
C9	C8	H8	104.6°	108.9°
C8	C9	H9	107.3°	109.2°
C8	C9	H9A	107.2°	109.2°
O8	C27	C28	120.5°	120.0°
C9	C10	O9	108.2°	108.7°
C9	C10	C31	111.2°	107.7°
C10	C9	H9	107.3°	108.2°
C10	C9	H9A	107.3°	109.8°
C10	O9	C32	114.0°	117.0°
O9	C10	C31	110.3°	108.3°
O9	C32	O10	120.4°	120.0°
O9	C32	C33	118.2°	120.0°
C10	C31	H31	109.5°	109.4°
C10	C31	H31A	109.5°	109.4°
C10	C31	H31B	109.5°	109.4°
O10	C32	C33	121.3°	120.0°
O11	C11	C12	109.7°	110.5°
O11	C11	C34	112.6°	110.4°
C11	O11	HO11	109.5°	114.0°
C12	C11	C34	112.0°	110.7°
C11	C12	O12	125.1°	125.9°
C11	C34	H34	109.5°	109.4°
C11	C34	H34A	109.5°	109.5°
C11	C34	H34B	109.4°	109.5°
C21	C22	C23	119.1°	120.0°
C21	C22	C24	121.6°	120.0°
C23	C22	C24	119.2°	120.0°
C22	C23	H23	109.5°	109.4°
C22	C23	H23A	109.5°	109.5°
C22	C23	H23B	109.5°	109.5°
C22	C24	C25	120.7°	120.0°
C22	C24	H24	119.6°	120.0°
C25	C24	H24	119.6°	120.0°
C24	C25	H25	109.5°	109.4°
C24	C25	H25A	109.4°	109.5°
C24	C25	H25B	109.5°	109.5°
C27	C28	C35	111.4°	109.4°
C27	C28	H28	108.9°	109.4°
C27	C28	H28A	108.8°	109.4°
C28	C35	C36	112.8°	109.4°
C35	C28	H28	108.8°	109.5°
C35	C28	H28A	108.9°	109.5°
C28	C35	H35	108.4°	109.5°
C28	C35	H35A	108.3°	109.5°
C32	C33	H33	109.5°	109.5°
C32	C33	H33A	109.5°	109.5°
C32	C33	H33B	109.5°	109.5°
C35	C36	C37	109.4°	109.5°
C36	C35	H35	108.4°	109.5°
C36	C35	H35A	108.4°	109.4°
C35	C36	H36	109.5°	109.5°
C35	C36	H36A	109.5°	109.5°
C36	C37	C38	112.4°	109.5°
C37	C36	H36	109.5°	109.4°
C37	C36	H36A	109.5°	109.4°
C36	C37	H37	108.5°	109.5°
C36	C37	H37A	108.5°	109.5°
C37	C38	C39	110.2°	109.5°
C38	C37	H37	108.5°	109.5°
C38	C37	H37A	108.5°	109.4°
C37	C38	H38	109.2°	109.5°
C37	C38	H38A	109.2°	109.5°
C38	C39	C40	112.7°	109.5°
C39	C38	H38	109.2°	109.5°
C39	C38	H38A	109.2°	109.4°
C38	C39	H39	108.4°	109.5°
C38	C39	H39A	108.4°	109.5°
C39	C40	C41	113.4°	109.4°
C40	C39	H39	108.4°	109.5°
C40	C39	H39A	108.4°	109.4°
C39	C40	H40	108.2°	109.5°
C39	C40	H40A	108.2°	109.5°
C40	C41	C42	109.8°	109.4°
C41	C40	H40	108.2°	109.5°
C41	C40	H40A	108.2°	109.5°
C40	C41	H41	109.4°	109.5°
C40	C41	H41A	109.4°	109.5°
C41	C42	C43	112.5°	109.5°
C42	C41	H41	109.4°	109.5°
C42	C41	H41A	109.4°	109.5°
C41	C42	H42	108.5°	109.5°
C41	C42	H42A	108.5°	109.5°
C42	C43	C44	111.0°	109.5°
C43	C42	H42	108.5°	109.5°
C43	C42	H42A	108.5°	109.4°
C42	C43	H43	109.0°	109.5°
C42	C43	H43A	108.9°	109.4°
C44	C43	H43	108.9°	109.5°
C44	C43	H43A	109.0°	109.4°
C43	C44	H44	109.5°	109.5°
C43	C44	H44A	109.5°	109.5°
C43	C44	H44B	109.4°	109.4°
H2	C2	H2A	108.9°	110.8°
H9	C9	H9A	111.6°	109.1°
H23	C23	H23A	109.5°	109.5°
H23	C23	H23B	109.5°	109.4°
H23A	C23	H23B	109.4°	109.5°
H25	C25	H25A	109.5°	109.4°
H25	C25	H25B	109.4°	109.5°
H25A	C25	H25B	109.5°	109.5°
H26	C26	H26A	109.5°	109.5°
H26	C26	H26B	109.5°	109.4°
H26A	C26	H26B	109.5°	109.4°
H28	C28	H28A	110.1°	109.5°
H31	C31	H31A	109.5°	109.6°
H31	C31	H31B	109.4°	109.5°
H31A	C31	H31B	109.5°	109.5°
H33	C33	H33A	109.4°	109.5°
H33	C33	H33B	109.5°	109.5°
H33A	C33	H33B	109.5°	109.4°
H34	C34	H34A	109.5°	109.5°
H34	C34	H34B	109.5°	109.5°
H34A	C34	H34B	109.5°	109.5°
H35	C35	H35A	110.6°	109.5°
H36	C36	H36A	109.5°	109.5°
H37	C37	H37A	110.4°	109.4°
H38	C38	H38A	109.7°	109.4°
H39	C39	H39A	110.5°	109.5°
H40	C40	H40A	110.8°	109.5°
H41	C41	H41A	109.6°	109.5°
H42	C42	H42A	110.4°	109.4°
H43	C43	H43A	110.0°	109.5°
H44	C44	H44A	109.4°	109.5°
H44	C44	H44B	109.5°	109.5°
H44A	C44	H44B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	C10	121.1°	135.9°
C2	C1	C5	H1	121.3°	109.9°
C2	C1	C10	H1	121.3°	114.6°
C1	C2	C3	H2	120.0°	118.3°
C1	C2	C3	H2A	120.0°	118.3°
C1	C2	C3	O3	111.1°	125.7°
C1	C2	C3	C4	6.3°	6.5°
C2	C1	C5	C4	0.7°	8.0°
C2	C1	C5	C6	178.5°	167.0°
C2	C1	C10	C9	162.9°	148.6°
C2	C1	C10	O9	46.8°	26.7°
C2	C1	C10	C31	71.4°	90.7°
C1	C2	H2	H2A	120.7°	123.3°
C1	C2	C3	H3	129.5°	112.8°
C5	C1	C10	H1	121.3°	114.1°
C5	C1	C2	C3	3.6°	8.5°
C1	C5	C4	C3	4.9°	3.6°
C1	C5	C4	C6	178.0°	174.6°
C1	C5	C4	C26	175.7°	176.4°
C1	C5	C6	O5	119.4°	155.0°
C1	C5	C6	C7	6.4°	37.7°
C5	C1	C10	C9	79.7°	80.1°
C5	C1	C10	O9	164.2°	158.0°
C5	C1	C10	C31	46.0°	40.6°
C5	C1	C2	H2	116.4°	126.8°
C5	C1	C2	H2A	123.6°	109.8°
C1	C5	C6	H6	117.0°	82.0°
C10	C1	C2	C3	117.5°	144.0°
C10	C1	C5	C4	121.8°	143.8°
C10	C1	C5	C6	60.4°	31.1°
C1	C10	C9	C8	66.9°	75.4°
C1	C10	C9	O9	112.8°	121.8°
C1	C10	C9	C31	126.0°	121.1°
C1	C10	O9	C31	119.1°	117.6°
C1	C10	O9	C32	177.0°	63.2°
C10	C1	C2	H2	122.6°	97.7°
C10	C1	C2	H2A	2.5°	25.7°
C1	C10	C9	H9	53.1°	44.5°
C1	C10	C9	H9A	173.2°	163.5°
C1	C10	C31	H31	180.0°	68.3°
C1	C10	C31	H31A	60.0°	171.6°
C1	C10	C31	H31B	60.0°	51.7°
C2	C3	O3	C4	115.1°	116.9°
C2	C3	O3	H3	121.4°	121.5°
C2	C3	C4	H3	121.1°	119.2°
C2	C3	O3	C21	100.3°	150.0°
C2	C3	C4	C5	7.0°	2.0°
C2	C3	C4	C26	173.7°	178.0°
C3	C2	C1	H1	124.9°	101.4°
C3	C2	H2	H2A	120.7°	123.3°
O3	C3	C4	H3	119.2°	121.6°
O3	C3	C4	C5	112.7°	121.2°
O3	C3	C4	C26	66.6°	58.8°
C3	O3	C21	O4	4.0°	0.0°
C3	O3	C21	C22	179.3°	180.0°
O3	C3	C2	H2	128.9°	116.0°
O3	C3	C2	H2A	8.9°	7.4°
C4	C3	O3	C21	144.5°	93.1°
C3	C4	C5	C26	179.3°	180.0°
C3	C4	C5	C6	177.1°	171.0°
C4	C3	C2	H2	113.7°	124.8°
C4	C3	C2	H2A	126.3°	111.8°
C3	C4	C26	H26	180.0°	0.0°
C3	C4	C26	H26A	60.0°	120.0°
C3	C4	C26	H26B	60.0°	120.0°
O3	C21	O4	C22	176.8°	180.0°
O3	C21	C22	C23	166.2°	0.0°
O3	C21	C22	C24	17.2°	180.0°
C21	O3	C3	H3	21.1°	28.5°
C4	C5	C6	O5	58.2°	31.0°
C4	C5	C6	C7	171.2°	148.3°
C4	C5	C1	H1	120.6°	101.9°
C5	C4	C3	H3	128.1°	117.2°
C4	C5	C6	H6	65.4°	92.0°
C5	C4	C26	H26	0.7°	180.0°
C5	C4	C26	H26A	120.7°	60.0°
C5	C4	C26	H26B	119.3°	60.0°
C26	C4	C5	C6	2.2°	9.0°
C26	C4	C3	H3	52.6°	62.7°
C4	C26	H26	H26A	120.0°	120.1°
C4	C26	H26	H26B	120.0°	120.0°
C4	C26	H26A	H26B	120.0°	120.0°
O4	C21	C22	C23	17.2°	180.0°
O4	C21	C22	C24	159.5°	0.0°
C5	C6	O5	C7	118.8°	120.0°
C5	C6	O5	H6	118.3°	123.0°
C5	C6	O5	C12	162.2°	156.5°
C5	C6	C7	H6	118.3°	120.0°
C5	C6	C7	O6	56.5°	33.7°
C5	C6	C7	C8	69.6°	86.4°
C5	C6	C7	C11	169.9°	147.1°
C6	C5	C1	H1	57.2°	83.1°
O5	C6	C7	H6	123.0°	117.5°
O5	C6	C7	O6	62.2°	88.9°
O5	C6	C7	C8	171.8°	151.1°
O5	C6	C7	C11	51.3°	24.6°
C6	O5	C12	C11	17.7°	32.9°
C6	O5	C12	O12	165.1°	147.0°
C12	O5	C6	C7	43.4°	36.5°
O5	C12	C11	C7	14.6°	16.2°
O5	C12	C11	O11	100.1°	134.8°
O5	C12	C11	O12	177.1°	179.9°
O5	C12	C11	C34	134.0°	102.5°
C12	O5	C6	H6	79.5°	80.5°
C6	C7	O6	C8	127.8°	124.6°
C6	C7	O6	C11	105.9°	110.8°
C6	C7	C8	C11	110.7°	120.3°
C6	C7	C8	O7	46.5°	37.2°
C6	C7	C8	C9	84.0°	83.4°
C6	C7	C11	O11	76.8°	112.7°
C6	C7	C11	C12	38.1°	5.9°
C6	C7	C11	C34	156.9°	124.7°
C6	C7	O6	HO6	180.0°	180.0°
C6	C7	C8	H8	162.2°	156.0°
O6	C7	C8	C11	123.4°	119.8°
O6	C7	C8	O7	172.4°	157.1°
O6	C7	C8	C9	41.9°	36.5°
O6	C7	C11	O11	168.3°	133.9°
O6	C7	C11	C12	76.8°	107.5°
O6	C7	C11	C34	42.0°	11.2°
O6	C7	C6	H6	174.8°	153.7°
O6	C7	C8	H8	71.9°	84.2°
C7	C8	O7	C9	131.7°	122.6°
C7	C8	O7	H8	114.0°	118.8°
C7	C8	O7	C27	106.0°	150.0°
C7	C8	C9	H8	113.5°	120.7°
C7	C8	C9	C10	64.4°	63.2°
C8	C7	C11	O11	43.8°	13.9°
C8	C7	C11	C12	158.7°	132.5°
C8	C7	C11	C34	82.5°	108.8°
C8	C7	C6	H6	48.8°	33.6°
C8	C7	O6	HO6	52.2°	55.4°
C7	C8	C9	H9	55.6°	56.2°
C7	C8	C9	H9A	175.6°	175.4°
C11	C7	C8	O7	64.2°	83.1°
C11	C7	C8	C9	165.2°	156.3°
C7	C11	O11	C12	108.1°	114.5°
C7	C11	O11	C34	126.4°	122.7°
C7	C11	C12	C34	119.4°	118.7°
C7	C11	C12	O12	162.5°	163.7°
C11	C7	C6	H6	71.8°	92.9°
C11	C7	O6	HO6	74.1°	69.2°
C11	C7	C8	H8	51.5°	35.7°
C7	C11	O11	HO11	63.4°	180.0°
C7	C11	C34	H34	180.0°	60.1°
C7	C11	C34	H34A	60.0°	180.0°
C7	C11	C34	H34B	60.0°	60.0°
O7	C8	C9	H8	115.7°	118.6°
C8	O7	C27	O8	0.6°	0.1°
O7	C8	C9	C10	66.4°	57.4°
C8	O7	C27	C28	179.3°	180.0°
O7	C8	C9	H9	173.6°	176.8°
O7	C8	C9	H9A	53.6°	64.0°
C27	O7	C8	C9	122.3°	87.5°
O7	C27	O8	C28	179.9°	179.9°
O7	C27	C28	C35	65.4°	180.0°
C27	O7	C8	H8	8.0°	31.2°
O7	C27	C28	H28	54.6°	60.1°
O7	C27	C28	H28A	174.6°	60.0°
C8	C9	C10	H9	120.0°	119.9°
C8	C9	C10	H9A	120.0°	121.1°
C8	C9	C10	O9	179.7°	162.8°
C8	C9	C10	C31	59.1°	45.7°
C8	C9	H9	H9A	117.2°	119.3°
O8	C27	C28	C35	114.6°	0.0°
O8	C27	C28	H28	125.4°	120.0°
O8	C27	C28	H28A	5.4°	120.0°
C9	C10	O9	C31	121.9°	116.8°
C9	C10	O9	C32	64.0°	62.4°
C9	C10	C1	H1	41.6°	34.0°
C10	C9	C8	H8	177.9°	176.1°
C10	C9	H9	H9A	117.2°	119.4°
C9	C10	C31	H31	53.7°	166.7°
C9	C10	C31	H31A	66.4°	46.6°
C9	C10	C31	H31B	173.7°	73.3°
C10	O9	C32	O10	2.7°	5.0°
C10	O9	C32	C33	174.5°	175.1°
O9	C10	C1	H1	74.5°	87.8°
O9	C10	C9	H9	59.7°	77.3°
O9	C10	C9	H9A	60.4°	41.7°
O9	C10	C31	H31	66.4°	49.3°
O9	C10	C31	H31A	173.6°	70.7°
O9	C10	C31	H31B	53.6°	169.3°
C32	O9	C10	C31	57.8°	179.2°
O9	C32	O10	C33	177.1°	179.9°
O9	C32	C33	H33	177.2°	0.1°
O9	C32	C33	H33A	62.8°	120.0°
O9	C32	C33	H33B	57.2°	120.0°
C31	C10	C1	H1	167.3°	154.7°
C31	C10	C9	H9	179.1°	165.6°
C31	C10	C9	H9A	60.9°	75.4°
C10	C31	H31	H31A	120.0°	120.0°
C10	C31	H31	H31B	120.0°	119.9°
C10	C31	H31A	H31B	120.0°	119.9°
O10	C32	C33	H33	0.0°	180.0°
O10	C32	C33	H33A	120.0°	60.0°
O10	C32	C33	H33B	120.0°	59.9°
O11	C11	C12	C34	125.9°	122.7°
O11	C11	C12	O12	82.8°	45.1°
O11	C11	C34	H34	55.4°	177.2°
O11	C11	C34	H34A	64.6°	57.3°
O11	C11	C34	H34B	175.4°	62.8°
C12	C11	O11	HO11	171.5°	65.6°
C12	C11	C34	H34	68.9°	54.5°
C12	C11	C34	H34A	171.2°	65.5°
C12	C11	C34	H34B	51.1°	174.5°
C34	C11	C12	O12	43.1°	77.6°
C34	C11	O11	HO11	63.0°	57.3°
C11	C34	H34	H34A	120.0°	120.0°
C11	C34	H34	H34B	120.0°	120.0°
C11	C34	H34A	H34B	120.0°	120.0°
C21	C22	C23	C24	176.7°	180.0°
C21	C22	C24	C25	0.5°	0.0°
C21	C22	C23	H23	180.0°	90.0°
C21	C22	C23	H23A	60.0°	150.0°
C21	C22	C23	H23B	60.0°	29.9°
C21	C22	C24	H24	179.5°	180.0°
C23	C22	C24	C25	176.1°	180.0°
C22	C23	H23	H23A	120.0°	120.0°
C22	C23	H23	H23B	120.0°	119.9°
C22	C23	H23A	H23B	120.0°	120.0°
C23	C22	C24	H24	3.9°	0.0°
C22	C24	C25	H24	180.0°	180.0°
C24	C22	C23	H23	3.3°	90.0°
C24	C22	C23	H23A	116.7°	30.0°
C24	C22	C23	H23B	123.3°	150.0°
C22	C24	C25	H25	180.0°	180.0°
C22	C24	C25	H25A	60.0°	60.0°
C22	C24	C25	H25B	60.0°	60.0°
C24	C25	H25	H25A	120.0°	120.0°
C24	C25	H25	H25B	120.0°	120.0°
C24	C25	H25A	H25B	120.0°	120.1°
C27	C28	C35	H28	120.0°	119.9°
C27	C28	C35	H28A	120.0°	119.9°
C27	C28	C35	C36	177.9°	180.0°
C27	C28	H28	H28A	119.2°	120.0°
C27	C28	C35	H35	57.9°	60.1°
C27	C28	C35	H35A	62.1°	60.0°
C28	C35	C36	H35	120.0°	120.0°
C28	C35	C36	H35A	120.0°	120.0°
C28	C35	C36	C37	176.3°	180.0°
C35	C28	H28	H28A	119.2°	120.1°
C28	C35	H35	H35A	118.6°	120.1°
C28	C35	C36	H36	56.3°	60.0°
C28	C35	C36	H36A	63.7°	60.0°
C32	C33	H33	H33A	120.0°	120.0°
C32	C33	H33	H33B	120.0°	120.1°
C32	C33	H33A	H33B	120.0°	120.0°
C35	C36	C37	H36	120.0°	120.0°
C35	C36	C37	H36A	120.0°	120.0°
C35	C36	C37	C38	179.0°	180.0°
C36	C35	C28	H28	62.1°	60.0°
C36	C35	C28	H28A	57.8°	60.1°
C36	C35	H35	H35A	118.6°	120.0°
C35	C36	H36	H36A	120.0°	120.1°
C35	C36	C37	H37	61.1°	60.0°
C35	C36	C37	H37A	59.0°	60.0°
C36	C37	C38	H37	120.0°	120.1°
C36	C37	C38	H37A	120.0°	120.0°
C36	C37	C38	C39	60.5°	NaN°
C37	C36	C35	H35	63.7°	60.0°
C37	C36	C35	H35A	56.3°	60.0°
C37	C36	H36	H36A	120.0°	120.0°
C36	C37	H37	H37A	118.8°	120.0°
C36	C37	C38	H38	179.5°	60.0°
C36	C37	C38	H38A	59.4°	60.0°
C37	C38	C39	H38	120.0°	120.1°
C37	C38	C39	H38A	120.0°	120.0°
C37	C38	C39	C40	177.7°	180.0°
C38	C37	C36	H36	59.0°	60.0°
C38	C37	C36	H36A	61.1°	60.0°
C38	C37	H37	H37A	118.8°	119.9°
C37	C38	H38	H38A	119.7°	120.0°
C37	C38	C39	H39	57.7°	60.0°
C37	C38	C39	H39A	62.3°	60.1°
C38	C39	C40	H39	120.0°	120.0°
C38	C39	C40	H39A	120.0°	120.0°
C38	C39	C40	C41	64.5°	180.0°
C39	C38	C37	H37	59.4°	59.9°
C39	C38	C37	H37A	179.4°	60.0°
C39	C38	H38	H38A	119.7°	119.9°
C38	C39	H39	H39A	118.7°	120.0°
C38	C39	C40	H40	55.5°	60.0°
C38	C39	C40	H40A	175.5°	60.0°
C39	C40	C41	H40	120.0°	120.0°
C39	C40	C41	H40A	120.0°	120.0°
C39	C40	C41	C42	165.5°	180.0°
C40	C39	C38	H38	62.3°	59.9°
C40	C39	C38	H38A	57.7°	60.0°
C40	C39	H39	H39A	118.6°	120.0°
C39	C40	H40	H40A	118.4°	120.0°
C39	C40	C41	H41	45.5°	60.0°
C39	C40	C41	H41A	74.5°	60.0°
C40	C41	C42	H41	120.0°	120.0°
C40	C41	C42	H41A	120.0°	120.0°
C40	C41	C42	C43	173.8°	180.0°
C41	C40	C39	H39	175.5°	60.0°
C41	C40	C39	H39A	55.5°	60.0°
C41	C40	H40	H40A	118.4°	120.0°
C40	C41	H41	H41A	119.9°	120.0°
C40	C41	C42	H42	66.2°	60.0°
C40	C41	C42	H42A	53.8°	60.0°
C41	C42	C43	H42	120.0°	120.0°
C41	C42	C43	H42A	120.0°	120.0°
C41	C42	C43	C44	174.9°	180.0°
C42	C41	C40	H40	74.5°	60.0°
C42	C41	C40	H40A	45.5°	60.0°
C42	C41	H41	H41A	119.9°	120.0°
C41	C42	H42	H42A	118.8°	120.0°
C41	C42	C43	H43	54.9°	59.9°
C41	C42	C43	H43A	65.1°	60.0°
C42	C43	C44	H43	120.0°	120.0°
C42	C43	C44	H43A	120.0°	119.9°
C43	C42	C41	H41	53.8°	60.0°
C43	C42	C41	H41A	66.2°	60.0°
C43	C42	H42	H42A	118.8°	120.0°
C42	C43	H43	H43A	119.3°	119.9°
C42	C43	C44	H44	180.0°	180.0°
C42	C43	C44	H44A	60.0°	59.9°
C42	C43	C44	H44B	60.0°	60.0°
C44	C43	C42	H42	65.1°	59.9°
C44	C43	C42	H42A	54.8°	60.0°
C44	C43	H43	H43A	119.4°	120.0°
C43	C44	H44	H44A	120.0°	120.1°
C43	C44	H44	H44B	120.0°	120.0°
C43	C44	H44A	H44B	120.0°	119.9°
H1	C1	C2	H2	4.9°	17.0°
H1	C1	C2	H2A	115.1°	140.3°
H2	C2	C3	H3	9.5°	5.5°
H2A	C2	C3	H3	110.5°	128.9°
H8	C8	C9	H9	57.9°	64.5°
H8	C8	C9	H9A	62.1°	54.7°
H23	C23	H23A	H23B	120.0°	120.0°
H24	C24	C25	H25	0.0°	0.1°
H24	C24	C25	H25A	120.0°	120.0°
H24	C24	C25	H25B	120.0°	120.0°
H25	C25	H25A	H25B	120.0°	120.0°
H26	C26	H26A	H26B	120.0°	119.9°
H28	C28	C35	H35	177.9°	180.0°
H28	C28	C35	H35A	57.9°	59.9°
H28A	C28	C35	H35	62.2°	59.9°
H28A	C28	C35	H35A	177.8°	180.0°
H31	C31	H31A	H31B	120.0°	120.1°
H33	C33	H33A	H33B	120.0°	120.0°
H34	C34	H34A	H34B	120.0°	120.1°
H35	C35	C36	H36	176.4°	180.0°
H35	C35	C36	H36A	56.3°	60.0°
H35A	C35	C36	H36	63.6°	60.0°
H35A	C35	C36	H36A	176.3°	180.0°
H36	C36	C37	H37	178.9°	180.0°
H36	C36	C37	H37A	61.0°	60.0°
H36A	C36	C37	H37	58.9°	60.1°
H36A	C36	C37	H37A	178.9°	180.0°
H37	C37	C38	H38	60.5°	180.0°
H37	C37	C38	H38A	179.4°	60.0°
H37A	C37	C38	H38	59.5°	60.0°
H37A	C37	C38	H38A	60.6°	180.0°
H38	C38	C39	H39	177.7°	179.9°
H38	C38	C39	H39A	57.7°	60.0°
H38A	C38	C39	H39	62.3°	60.0°
H38A	C38	C39	H39A	177.7°	179.9°
H39	C39	C40	H40	64.5°	180.0°
H39	C39	C40	H40A	55.5°	60.0°
H39A	C39	C40	H40	175.5°	60.0°
H39A	C39	C40	H40A	64.5°	180.0°
H40	C40	C41	H41	165.5°	180.0°
H40	C40	C41	H41A	45.5°	60.0°
H40A	C40	C41	H41	74.5°	60.0°
H40A	C40	C41	H41A	165.5°	180.0°
H41	C41	C42	H42	173.8°	180.0°
H41	C41	C42	H42A	66.2°	60.0°
H41A	C41	C42	H42	53.8°	60.0°
H41A	C41	C42	H42A	173.7°	180.0°
H42	C42	C43	H43	174.9°	180.0°
H42	C42	C43	H43A	54.9°	60.0°
H42A	C42	C43	H43	65.2°	60.1°
H42A	C42	C43	H43A	174.8°	180.0°
H43	C43	C44	H44	60.0°	60.0°
H43	C43	C44	H44A	180.0°	180.0°
H43	C43	C44	H44B	60.0°	60.0°
H43A	C43	C44	H44	60.0°	60.1°
H43A	C43	C44	H44A	60.0°	60.0°
H43A	C43	C44	H44B	180.0°	179.9°
H44	C44	H44A	H44B	120.0°	120.0°

Definition date:	2010-06-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3NAL