PID

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.53Å
C1	C6	sing	0.00Å	1.54Å
C1	CM1	sing	0.00Å	1.54Å
C1	O1	sing	0.00Å	1.49Å
C2	C3	sing	0.00Å	1.52Å
C2	H21	sing	0.00Å	1.11Å
C2	H22A	sing	0.00Å	1.12Å
C3	C4	sing	0.00Å	1.54Å
C3	O2	sing	0.00Å	1.44Å
C3	H3	sing	0.00Å	1.11Å
C4	C5	sing	0.00Å	1.54Å
C4	H41	sing	0.00Å	1.12Å
C4	H42	sing	0.00Å	1.11Å
C5	C6	sing	0.00Å	1.59Å
C5	CM2	sing	0.00Å	1.51Å
C5	CM3	sing	0.00Å	1.53Å
C6	C7	sing	0.00Å	1.43Å
C6	O1	sing	0.00Å	1.51Å
C7	C8	doub	0.00Å	1.41Å
C7	H7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.42Å
C8	H8	sing	0.00Å	1.10Å
C9	C10	sing	0.00Å	1.46Å
C9	C11	doub	0.00Å	1.37Å
C10	O3	doub	0.00Å	1.23Å
C10	O4	sing	0.00Å	1.33Å
C11	C12	sing	0.00Å	1.42Å
C11	H11	sing	0.00Å	1.10Å
C12	C13	doub	0.00Å	1.40Å
C12	O4	sing	0.00Å	1.41Å
C13	C14	sing	0.00Å	1.43Å
C13	H13	sing	0.00Å	1.10Å
C14	C15	doub	0.00Å	1.41Å
C14	CM4	sing	0.00Å	1.54Å
C15	C16	sing	0.00Å	1.43Å
C15	H15	sing	0.00Å	1.10Å
C16	C17	doub	0.00Å	1.42Å
C16	H16	sing	0.00Å	1.10Å
C17	C18	sing	0.00Å	1.41Å
C17	H17	sing	0.00Å	1.10Å
C18	C19	doub	0.00Å	1.40Å
C18	H18	sing	0.00Å	1.10Å
C19	C20	sing	0.00Å	1.40Å
C19	H19	sing	0.00Å	1.10Å
C20	C21	doub	0.00Å	1.39Å
C20	H20	sing	0.00Å	1.10Å
C21	C22	sing	0.00Å	1.39Å
C21	CM5	sing	0.00Å	1.53Å
C22	C23	doub	0.00Å	1.37Å
C22	H22	sing	0.00Å	1.10Å
C23	C24	doub	0.00Å	1.34Å
C24	C25	sing	0.00Å	1.57Å
C24	C29	sing	0.00Å	1.56Å
C25	C26	sing	0.00Å	1.54Å
C25	CM6	sing	0.00Å	1.54Å
C25	CM7	sing	0.00Å	1.54Å
C26	C27	sing	0.00Å	1.54Å
C26	H261	sing	0.00Å	1.11Å
C26	H262	sing	0.00Å	1.11Å
C27	C28	sing	0.00Å	1.54Å
C27	O6	sing	0.00Å	1.44Å
C27	H27	sing	0.00Å	1.12Å
C28	C29	sing	0.00Å	1.52Å
C28	H281	sing	0.00Å	1.11Å
C28	H282	sing	0.00Å	1.12Å
C29	CM8	sing	0.00Å	1.53Å
C29	O5	sing	0.00Å	1.42Å
C30	C31	sing	0.00Å	1.52Å
C30	O6	sing	0.00Å	1.31Å
C30	O7	doub	0.00Å	1.23Å
C31	H311	sing	0.00Å	1.12Å
C31	H312	sing	0.00Å	1.11Å
C31	H313	sing	0.00Å	1.11Å
CM1	HM11	sing	0.00Å	1.12Å
CM1	HM12	sing	0.00Å	1.11Å
CM1	HM13	sing	0.00Å	1.11Å
CM2	HM21	sing	0.00Å	1.12Å
CM2	HM22	sing	0.00Å	1.11Å
CM2	HM23	sing	0.00Å	1.12Å
CM3	HM31	sing	0.00Å	1.12Å
CM3	HM32	sing	0.00Å	1.11Å
CM3	HM33	sing	0.00Å	1.11Å
CM4	HM41	sing	0.00Å	1.12Å
CM4	HM42	sing	0.00Å	1.11Å
CM4	HM43	sing	0.00Å	1.11Å
CM5	HM51	sing	0.00Å	1.11Å
CM5	HM52	sing	0.00Å	1.12Å
CM5	HM53	sing	0.00Å	1.11Å
CM6	HM61	sing	0.00Å	1.12Å
CM6	HM62	sing	0.00Å	1.11Å
CM6	HM63	sing	0.00Å	1.12Å
CM7	HM71	sing	0.00Å	1.12Å
CM7	HM72	sing	0.00Å	1.11Å
CM7	HM73	sing	0.00Å	1.12Å
CM8	HM81	sing	0.00Å	1.12Å
CM8	HM82	sing	0.00Å	1.11Å
CM8	HM83	sing	0.00Å	1.11Å
O2	HO2	sing	0.00Å	0.95Å
O5	HO5	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.7°	90.0°
C2	C1	CM1	117.0°	90.0°
C2	C1	O1	113.5°	90.0°
C1	C2	C3	113.4°	90.0°
C1	C2	H21	110.7°	90.0°
C1	C2	H22A	110.7°	90.0°
C6	C1	CM1	117.0°	90.0°
C6	C1	O1	59.7°	90.0°
C1	C6	C5	119.5°	90.0°
C1	C6	C7	117.7°	90.0°
C1	C6	O1	58.3°	90.0°
CM1	C1	O1	117.1°	90.0°
C1	CM1	HM11	117.0°	90.0°
C1	CM1	HM12	109.5°	90.0°
C1	CM1	HM13	109.5°	90.0°
C1	O1	C6	62.0°	90.0°
C3	C2	H21	110.8°	90.0°
C3	C2	H22A	110.8°	90.0°
C2	C3	C4	107.2°	90.0°
C2	C3	O2	107.6°	90.0°
C2	C3	H3	112.1°	90.0°
H21	C2	H22A	99.6°	90.0°
C4	C3	O2	109.3°	90.0°
C4	C3	H3	110.4°	90.0°
C3	C4	C5	119.5°	90.0°
C3	C4	H41	108.6°	90.0°
C3	C4	H42	108.6°	90.0°
O2	C3	H3	110.2°	90.0°
C3	O2	HO2	107.5°	90.0°
C5	C4	H41	108.6°	90.0°
C5	C4	H42	108.5°	90.0°
C4	C5	C6	111.8°	90.0°
C4	C5	CM2	108.6°	90.0°
C4	C5	CM3	107.5°	90.0°
H41	C4	H42	101.5°	90.0°
C6	C5	CM2	110.5°	90.0°
C6	C5	CM3	109.6°	90.0°
C5	C6	C7	117.3°	90.0°
C5	C6	O1	115.2°	90.0°
CM2	C5	CM3	108.7°	90.0°
C5	CM2	HM21	108.6°	90.0°
C5	CM2	HM22	112.6°	90.0°
C5	CM2	HM23	112.5°	90.0°
C5	CM3	HM31	107.5°	90.0°
C5	CM3	HM32	112.9°	90.0°
C5	CM3	HM33	112.9°	90.0°
C7	C6	O1	115.0°	90.0°
C6	C7	C8	121.7°	90.0°
C6	C7	H7	119.8°	90.0°
C8	C7	H7	118.5°	90.0°
C7	C8	C9	121.8°	90.0°
C7	C8	H8	118.8°	90.0°
C9	C8	H8	119.3°	90.0°
C8	C9	C10	129.4°	90.0°
C8	C9	C11	123.2°	90.0°
C10	C9	C11	107.4°	90.0°
C9	C10	O3	124.3°	90.0°
C9	C10	O4	110.0°	90.0°
C9	C11	C12	105.8°	90.0°
C9	C11	H11	125.8°	90.0°
O3	C10	O4	122.1°	90.0°
C10	O4	C12	106.2°	90.0°
C12	C11	H11	128.4°	90.0°
C11	C12	C13	122.7°	90.0°
C11	C12	O4	110.5°	90.0°
C13	C12	O4	126.8°	90.0°
C12	C13	C14	125.2°	90.0°
C12	C13	H13	116.3°	90.0°
C14	C13	H13	118.5°	90.0°
C13	C14	C15	116.9°	90.0°
C13	C14	CM4	122.1°	90.0°
C15	C14	CM4	120.9°	90.0°
C14	C15	C16	124.4°	90.0°
C14	C15	H15	116.9°	90.0°
C14	CM4	HM41	122.1°	90.0°
C14	CM4	HM42	107.8°	90.0°
C14	CM4	HM43	107.7°	90.0°
C16	C15	H15	118.6°	90.0°
C15	C16	C17	117.5°	90.0°
C15	C16	H16	121.5°	90.0°
C17	C16	H16	121.0°	90.0°
C16	C17	C18	122.4°	90.0°
C16	C17	H17	119.4°	90.0°
C18	C17	H17	118.2°	90.0°
C17	C18	C19	120.9°	90.0°
C17	C18	H18	120.0°	90.0°
C19	C18	H18	119.1°	90.0°
C18	C19	C20	117.6°	90.0°
C18	C19	H19	121.1°	90.0°
C20	C19	H19	121.3°	90.0°
C19	C20	C21	123.2°	90.0°
C19	C20	H20	119.0°	90.0°
C21	C20	H20	117.8°	90.0°
C20	C21	C22	117.5°	90.0°
C20	C21	CM5	121.7°	90.0°
C22	C21	CM5	120.7°	90.0°
C21	C22	C23	121.5°	90.0°
C21	C22	H22	120.0°	90.0°
C21	CM5	HM51	121.6°	90.0°
C21	CM5	HM52	107.8°	90.0°
C21	CM5	HM53	107.9°	90.0°
C23	C22	H22	118.5°	90.0°
C22	C23	C24	178.5°	90.0°
C23	C24	C25	120.0°	90.0°
C23	C24	C29	120.3°	90.0°
C25	C24	C29	119.7°	90.0°
C24	C25	C26	107.9°	90.0°
C24	C25	CM6	109.8°	90.0°
C24	C25	CM7	110.0°	90.0°
C24	C29	C28	108.4°	90.0°
C24	C29	CM8	110.4°	90.0°
C24	C29	O5	108.9°	90.0°
C26	C25	CM6	109.7°	90.0°
C26	C25	CM7	109.6°	90.0°
C25	C26	C27	118.8°	90.0°
C25	C26	H261	108.8°	90.0°
C25	C26	H262	108.9°	90.0°
CM6	C25	CM7	109.9°	90.0°
C25	CM6	HM61	109.7°	90.0°
C25	CM6	HM62	112.1°	90.0°
C25	CM6	HM63	112.1°	90.0°
C25	CM7	HM71	110.0°	90.0°
C25	CM7	HM72	112.1°	90.0°
C25	CM7	HM73	112.0°	90.0°
C27	C26	H261	108.8°	90.0°
C27	C26	H262	108.8°	90.0°
C26	C27	C28	109.0°	90.0°
C26	C27	O6	106.8°	90.0°
C26	C27	H27	110.5°	90.0°
H261	C26	H262	101.2°	90.0°
C28	C27	O6	106.2°	90.0°
C28	C27	H27	111.0°	90.0°
C27	C28	C29	119.3°	90.0°
C27	C28	H281	108.7°	90.0°
C27	C28	H282	108.7°	90.0°
O6	C27	H27	113.1°	90.0°
C27	O6	C30	112.8°	90.0°
C29	C28	H281	108.7°	90.0°
C29	C28	H282	108.7°	90.0°
C28	C29	CM8	112.5°	90.0°
C28	C29	O5	107.8°	90.0°
H281	C28	H282	101.4°	90.0°
CM8	C29	O5	108.7°	90.0°
C29	CM8	HM81	110.4°	90.0°
C29	CM8	HM82	111.8°	90.0°
C29	CM8	HM83	111.8°	90.0°
C29	O5	HO5	108.9°	90.0°
C31	C30	O6	118.4°	90.0°
C31	C30	O7	118.8°	90.0°
C30	C31	H311	118.4°	90.0°
C30	C31	H312	109.0°	90.0°
C30	C31	H313	109.0°	90.0°
O6	C30	O7	120.4°	90.0°
H311	C31	H312	109.0°	90.0°
H311	C31	H313	109.0°	90.0°
H312	C31	H313	101.1°	90.0°
HM11	CM1	HM12	109.4°	90.0°
HM11	CM1	HM13	109.5°	90.0°
HM12	CM1	HM13	100.7°	90.0°
HM21	CM2	HM22	112.5°	90.0°
HM21	CM2	HM23	112.5°	90.0°
HM22	CM2	HM23	97.9°	90.0°
HM31	CM3	HM32	112.9°	90.0°
HM31	CM3	HM33	112.9°	90.0°
HM32	CM3	HM33	97.6°	90.0°
HM41	CM4	HM42	107.7°	90.0°
HM41	CM4	HM43	107.7°	90.0°
HM42	CM4	HM43	102.2°	90.0°
HM51	CM5	HM52	107.9°	90.0°
HM51	CM5	HM53	107.9°	90.0°
HM52	CM5	HM53	102.1°	90.0°
HM61	CM6	HM62	112.2°	90.0°
HM61	CM6	HM63	112.1°	90.0°
HM62	CM6	HM63	98.4°	90.0°
HM71	CM7	HM72	112.0°	90.0°
HM71	CM7	HM73	112.0°	90.0°
HM72	CM7	HM73	98.4°	90.0°
HM81	CM8	HM82	111.8°	90.0°
HM81	CM8	HM83	111.9°	90.0°
HM82	CM8	HM83	98.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	CM1	151.3°	90.0°
C2	C1	C6	O1	101.5°	90.0°
C2	C1	CM1	O1	139.9°	90.0°
C1	C2	C3	H21	125.3°	90.0°
C1	C2	C3	H22A	125.2°	90.0°
C1	C2	H21	H22A	116.6°	90.0°
C1	C2	C3	C4	56.1°	90.0°
C1	C2	C3	O2	173.5°	90.0°
C1	C2	C3	H3	65.2°	90.0°
C2	C1	C6	C5	1.6°	90.0°
C2	C1	C6	C7	154.8°	90.0°
C2	C1	CM1	HM11	180.0°	90.0°
C2	C1	CM1	HM12	54.8°	90.0°
C2	C1	CM1	HM13	54.7°	90.0°
C6	C1	CM1	O1	68.0°	90.0°
C6	C1	C2	C3	28.8°	90.0°
C6	C1	C2	H21	154.1°	90.0°
C6	C1	C2	H22A	96.5°	90.0°
C1	C6	C5	C4	1.4°	90.0°
C1	C6	C5	C7	153.3°	90.0°
C1	C6	C5	O1	66.4°	90.0°
C1	C6	C5	CM2	119.6°	90.0°
C1	C6	C5	CM3	120.6°	90.0°
C1	C6	C7	O1	65.9°	90.0°
C1	C6	C7	C8	96.2°	90.0°
C1	C6	C7	H7	83.7°	90.0°
C6	C1	CM1	HM11	27.9°	90.0°
C6	C1	CM1	HM12	97.3°	90.0°
C6	C1	CM1	HM13	153.1°	90.0°
CM1	C1	C2	C3	179.8°	90.0°
CM1	C1	C2	H21	54.6°	90.0°
CM1	C1	C2	H22A	54.9°	90.0°
CM1	C1	C6	C5	149.8°	90.0°
CM1	C1	C6	C7	3.4°	90.0°
C1	CM1	HM11	HM12	125.3°	90.0°
C1	CM1	HM11	HM13	125.3°	90.0°
C1	CM1	HM12	HM13	115.3°	90.0°
O1	C1	C2	C3	38.6°	90.0°
O1	C1	C2	H21	86.7°	90.0°
O1	C1	C2	H22A	163.8°	90.0°
O1	C1	CM1	HM11	40.1°	90.0°
O1	C1	CM1	HM12	165.3°	90.0°
O1	C1	CM1	HM13	85.1°	90.0°
C3	C2	H21	H22A	116.7°	90.0°
C2	C3	C4	O2	116.3°	90.0°
C2	C3	C4	H3	122.4°	90.0°
C2	C3	O2	H3	122.4°	90.0°
C2	C3	C4	C5	60.1°	90.0°
C2	C3	C4	H41	174.6°	90.0°
C2	C3	C4	H42	65.1°	90.0°
C2	C3	O2	HO2	180.0°	90.0°
H21	C2	C3	C4	178.6°	90.0°
H21	C2	C3	O2	61.2°	90.0°
H21	C2	C3	H3	60.0°	90.0°
H22A	C2	C3	C4	69.1°	90.0°
H22A	C2	C3	O2	48.3°	90.0°
H22A	C2	C3	H3	169.5°	90.0°
C4	C3	O2	H3	121.5°	90.0°
C3	C4	C5	H41	125.3°	90.0°
C3	C4	C5	H42	125.2°	90.0°
C3	C4	H41	H42	114.3°	90.0°
C3	C4	C5	C6	30.5°	90.0°
C3	C4	C5	CM2	152.6°	90.0°
C3	C4	C5	CM3	89.9°	90.0°
C4	C3	O2	HO2	63.9°	90.0°
O2	C3	C4	C5	176.4°	90.0°
O2	C3	C4	H41	58.3°	90.0°
O2	C3	C4	H42	51.2°	90.0°
H3	C3	C4	C5	62.3°	90.0°
H3	C3	C4	H41	63.0°	90.0°
H3	C3	C4	H42	172.5°	90.0°
H3	C3	O2	HO2	57.6°	90.0°
C5	C4	H41	H42	114.2°	90.0°
C4	C5	C6	CM2	121.0°	90.0°
C4	C5	C6	CM3	119.2°	90.0°
C4	C5	CM2	CM3	116.7°	90.0°
C4	C5	C6	C7	154.7°	90.0°
C4	C5	C6	O1	65.0°	90.0°
C4	C5	CM2	HM21	180.0°	90.0°
C4	C5	CM2	HM22	54.8°	90.0°
C4	C5	CM2	HM23	54.8°	90.0°
C4	C5	CM3	HM31	180.0°	90.0°
C4	C5	CM3	HM32	54.8°	90.0°
C4	C5	CM3	HM33	54.8°	90.0°
H41	C4	C5	C6	155.8°	90.0°
H41	C4	C5	CM2	82.1°	90.0°
H41	C4	C5	CM3	35.4°	90.0°
H42	C4	C5	C6	94.7°	90.0°
H42	C4	C5	CM2	27.4°	90.0°
H42	C4	C5	CM3	144.9°	90.0°
C6	C5	CM2	CM3	120.3°	90.0°
C5	C6	C7	O1	140.4°	90.0°
C5	C6	C7	C8	110.0°	90.0°
C5	C6	C7	H7	70.0°	90.0°
C6	C5	CM2	HM21	57.1°	90.0°
C6	C5	CM2	HM22	177.7°	90.0°
C6	C5	CM2	HM23	68.2°	90.0°
C6	C5	CM3	HM31	58.2°	90.0°
C6	C5	CM3	HM32	67.0°	90.0°
C6	C5	CM3	HM33	176.5°	90.0°
CM2	C5	C6	C7	33.7°	90.0°
CM2	C5	C6	O1	174.0°	90.0°
C5	CM2	HM21	HM22	125.3°	90.0°
C5	CM2	HM21	HM23	125.2°	90.0°
C5	CM2	HM22	HM23	118.5°	90.0°
CM2	C5	CM3	HM31	62.6°	90.0°
CM2	C5	CM3	HM32	172.2°	90.0°
CM2	C5	CM3	HM33	62.6°	90.0°
CM3	C5	C6	C7	86.1°	90.0°
CM3	C5	C6	O1	54.2°	90.0°
CM3	C5	CM2	HM21	63.3°	90.0°
CM3	C5	CM2	HM22	62.0°	90.0°
CM3	C5	CM2	HM23	171.5°	90.0°
C5	CM3	HM31	HM32	125.2°	90.0°
C5	CM3	HM31	HM33	125.3°	90.0°
C5	CM3	HM32	HM33	118.9°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	176.1°	90.0°
C6	C7	C8	H8	4.0°	90.0°
O1	C6	C7	C8	30.4°	90.0°
O1	C6	C7	H7	149.6°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	0.3°	90.0°
C7	C8	C9	C11	176.2°	90.0°
H7	C7	C8	C9	4.0°	90.0°
H7	C7	C8	H8	176.0°	90.0°
C8	C9	C10	C11	177.0°	90.0°
C8	C9	C10	O3	15.9°	90.0°
C8	C9	C10	O4	174.8°	90.0°
C8	C9	C11	C12	177.0°	90.0°
C8	C9	C11	H11	3.0°	90.0°
H8	C8	C9	C10	179.7°	90.0°
H8	C8	C9	C11	3.8°	90.0°
C9	C10	O3	O4	156.5°	90.0°
C10	C9	C11	C12	0.2°	90.0°
C10	C9	C11	H11	179.8°	90.0°
C9	C10	O4	C12	3.0°	90.0°
C11	C9	C10	O3	161.0°	90.0°
C11	C9	C10	O4	2.1°	90.0°
C9	C11	C12	H11	180.0°	90.0°
C9	C11	C12	C13	178.2°	90.0°
C9	C11	C12	O4	1.6°	90.0°
O3	C10	O4	C12	162.5°	90.0°
C10	O4	C12	C11	3.0°	90.0°
C10	O4	C12	C13	176.9°	90.0°
C11	C12	C13	O4	179.8°	90.0°
C11	C12	C13	C14	178.2°	90.0°
C11	C12	C13	H13	1.8°	90.0°
H11	C11	C12	C13	1.8°	90.0°
H11	C11	C12	O4	178.4°	90.0°
C12	C13	C14	H13	180.0°	90.0°
C12	C13	C14	C15	176.1°	90.0°
C12	C13	C14	CM4	7.7°	90.0°
O4	C12	C13	C14	1.6°	90.0°
O4	C12	C13	H13	178.4°	90.0°
C13	C14	C15	CM4	176.3°	90.0°
C13	C14	C15	C16	171.8°	90.0°
C13	C14	C15	H15	8.2°	90.0°
C13	C14	CM4	HM41	180.0°	90.0°
C13	C14	CM4	HM42	54.8°	90.0°
C13	C14	CM4	HM43	54.8°	90.0°
H13	C13	C14	C15	3.9°	90.0°
H13	C13	C14	CM4	172.3°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C14	C15	C16	C17	175.2°	90.0°
C14	C15	C16	H16	4.7°	90.0°
C15	C14	CM4	HM41	4.0°	90.0°
C15	C14	CM4	HM42	121.3°	90.0°
C15	C14	CM4	HM43	129.1°	90.0°
CM4	C14	C15	C16	11.9°	90.0°
CM4	C14	C15	H15	168.1°	90.0°
C14	CM4	HM41	HM42	125.3°	90.0°
C14	CM4	HM41	HM43	125.2°	90.0°
C14	CM4	HM42	HM43	113.3°	90.0°
C15	C16	C17	H16	180.0°	90.0°
C15	C16	C17	C18	177.8°	90.0°
C15	C16	C17	H17	2.2°	90.0°
H15	C15	C16	C17	4.8°	90.0°
H15	C15	C16	H16	175.3°	90.0°
C16	C17	C18	H17	180.0°	90.0°
C16	C17	C18	C19	176.6°	90.0°
C16	C17	C18	H18	3.3°	90.0°
H16	C16	C17	C18	2.2°	90.0°
H16	C16	C17	H17	177.8°	90.0°
C17	C18	C19	H18	180.0°	90.0°
C17	C18	C19	C20	178.6°	90.0°
C17	C18	C19	H19	1.4°	90.0°
H17	C17	C18	C19	3.3°	90.0°
H17	C17	C18	H18	176.7°	90.0°
C18	C19	C20	H19	180.0°	90.0°
C18	C19	C20	C21	173.2°	90.0°
C18	C19	C20	H20	6.8°	90.0°
H18	C18	C19	C20	1.4°	90.0°
H18	C18	C19	H19	178.6°	90.0°
C19	C20	C21	H20	180.0°	90.0°
C19	C20	C21	C22	164.9°	90.0°
C19	C20	C21	CM5	11.0°	90.0°
H19	C19	C20	C21	6.8°	90.0°
H19	C19	C20	H20	173.2°	90.0°
C20	C21	C22	CM5	176.0°	90.0°
C20	C21	C22	C23	166.3°	90.0°
C20	C21	C22	H22	13.7°	90.0°
C20	C21	CM5	HM51	180.0°	90.0°
C20	C21	CM5	HM52	54.8°	90.0°
C20	C21	CM5	HM53	54.8°	90.0°
H20	C20	C21	C22	15.1°	90.0°
H20	C20	C21	CM5	169.0°	90.0°
C21	C22	C23	H22	180.0°	90.0°
C21	C22	C23	C24	133.4°	90.0°
C22	C21	CM5	HM51	4.2°	90.0°
C22	C21	CM5	HM52	121.0°	90.0°
C22	C21	CM5	HM53	129.4°	90.0°
CM5	C21	C22	C23	17.8°	90.0°
CM5	C21	C22	H22	162.2°	90.0°
C21	CM5	HM51	HM52	125.2°	90.0°
C21	CM5	HM51	HM53	125.2°	90.0°
C21	CM5	HM52	HM53	113.5°	90.0°
C22	C23	C24	C25	56.7°	90.0°
C22	C23	C24	C29	124.8°	90.0°
H22	C22	C23	C24	46.6°	90.0°
C23	C24	C25	C29	178.5°	90.0°
C23	C24	C25	C26	132.7°	90.0°
C23	C24	C25	CM6	13.2°	90.0°
C23	C24	C25	CM7	107.8°	90.0°
C23	C24	C29	C28	133.1°	90.0°
C23	C24	C29	CM8	9.3°	90.0°
C23	C24	C29	O5	109.9°	90.0°
C24	C25	C26	CM6	119.5°	90.0°
C24	C25	C26	CM7	119.7°	90.0°
C24	C25	CM6	CM7	121.1°	90.0°
C24	C25	C26	C27	47.7°	90.0°
C24	C25	C26	H261	77.6°	90.0°
C24	C25	C26	H262	172.9°	90.0°
C25	C24	C29	C28	45.5°	90.0°
C25	C24	C29	CM8	169.2°	90.0°
C25	C24	C29	O5	71.6°	90.0°
C24	C25	CM6	HM61	180.0°	90.0°
C24	C25	CM6	HM62	54.7°	90.0°
C24	C25	CM6	HM63	54.8°	90.0°
C24	C25	CM7	HM71	180.0°	90.0°
C24	C25	CM7	HM72	54.7°	90.0°
C24	C25	CM7	HM73	54.7°	90.0°
C29	C24	C25	C26	45.8°	90.0°
C29	C24	C25	CM6	165.3°	90.0°
C29	C24	C25	CM7	73.6°	90.0°
C24	C29	C28	C27	46.9°	90.0°
C24	C29	C28	CM8	122.5°	90.0°
C24	C29	C28	O5	117.7°	90.0°
C24	C29	C28	H281	78.4°	90.0°
C24	C29	C28	H282	172.1°	90.0°
C24	C29	CM8	O5	119.3°	90.0°
C24	C29	CM8	HM81	180.0°	90.0°
C24	C29	CM8	HM82	54.8°	90.0°
C24	C29	CM8	HM83	54.8°	90.0°
C24	C29	O5	HO5	180.0°	90.0°
C26	C25	CM6	CM7	120.5°	90.0°
C25	C26	C27	H261	125.2°	90.0°
C25	C26	C27	H262	125.2°	90.0°
C25	C26	H261	H262	114.6°	90.0°
C25	C26	C27	C28	49.5°	90.0°
C25	C26	C27	O6	163.8°	90.0°
C25	C26	C27	H27	72.8°	90.0°
C26	C25	CM6	HM61	61.7°	90.0°
C26	C25	CM6	HM62	63.7°	90.0°
C26	C25	CM6	HM63	173.2°	90.0°
C26	C25	CM7	HM71	61.5°	90.0°
C26	C25	CM7	HM72	173.2°	90.0°
C26	C25	CM7	HM73	63.7°	90.0°
CM6	C25	C26	C27	167.2°	90.0°
CM6	C25	C26	H261	42.0°	90.0°
CM6	C25	C26	H262	67.5°	90.0°
C25	CM6	HM61	HM62	125.3°	90.0°
C25	CM6	HM61	HM63	125.2°	90.0°
C25	CM6	HM62	HM63	118.0°	90.0°
CM6	C25	CM7	HM71	59.1°	90.0°
CM6	C25	CM7	HM72	66.2°	90.0°
CM6	C25	CM7	HM73	175.7°	90.0°
CM7	C25	C26	C27	72.0°	90.0°
CM7	C25	C26	H261	162.7°	90.0°
CM7	C25	C26	H262	53.2°	90.0°
CM7	C25	CM6	HM61	58.9°	90.0°
CM7	C25	CM6	HM62	175.8°	90.0°
CM7	C25	CM6	HM63	66.3°	90.0°
C25	CM7	HM71	HM72	125.3°	90.0°
C25	CM7	HM71	HM73	125.3°	90.0°
C25	CM7	HM72	HM73	118.0°	90.0°
C27	C26	H261	H262	114.6°	90.0°
C26	C27	C28	O6	114.7°	90.0°
C26	C27	C28	H27	122.0°	90.0°
C26	C27	O6	H27	121.8°	90.0°
C26	C27	C28	C29	49.1°	90.0°
C26	C27	C28	H281	76.2°	90.0°
C26	C27	C28	H282	174.3°	90.0°
C26	C27	O6	C30	112.3°	90.0°
H261	C26	C27	C28	75.7°	90.0°
H261	C26	C27	O6	38.6°	90.0°
H261	C26	C27	H27	162.0°	90.0°
H262	C26	C27	C28	174.8°	90.0°
H262	C26	C27	O6	70.9°	90.0°
H262	C26	C27	H27	52.5°	90.0°
C28	C27	O6	H27	122.0°	90.0°
C27	C28	C29	H281	125.3°	90.0°
C27	C28	C29	H282	125.2°	90.0°
C27	C28	H281	H282	114.4°	90.0°
C27	C28	C29	CM8	169.4°	90.0°
C27	C28	C29	O5	70.8°	90.0°
C28	C27	O6	C30	131.5°	90.0°
O6	C27	C28	C29	163.8°	90.0°
O6	C27	C28	H281	38.5°	90.0°
O6	C27	C28	H282	71.0°	90.0°
C27	O6	C30	C31	177.2°	90.0°
C27	O6	C30	O7	15.0°	90.0°
H27	C27	C28	C29	72.9°	90.0°
H27	C27	C28	H281	161.8°	90.0°
H27	C27	C28	H282	52.3°	90.0°
H27	C27	O6	C30	9.5°	90.0°
C29	C28	H281	H282	114.4°	90.0°
C28	C29	CM8	O5	119.3°	90.0°
C28	C29	CM8	HM81	58.7°	90.0°
C28	C29	CM8	HM82	176.1°	90.0°
C28	C29	CM8	HM83	66.6°	90.0°
C28	C29	O5	HO5	62.5°	90.0°
H281	C28	C29	CM8	44.1°	90.0°
H281	C28	C29	O5	163.9°	90.0°
H282	C28	C29	CM8	65.4°	90.0°
H282	C28	C29	O5	54.4°	90.0°
C29	CM8	HM81	HM82	125.2°	90.0°
C29	CM8	HM81	HM83	125.3°	90.0°
C29	CM8	HM82	HM83	117.8°	90.0°
CM8	C29	O5	HO5	59.7°	90.0°
O5	C29	CM8	HM81	60.6°	90.0°
O5	C29	CM8	HM82	64.6°	90.0°
O5	C29	CM8	HM83	174.1°	90.0°
C31	C30	O6	O7	162.2°	90.0°
C30	C31	H311	H312	125.2°	90.0°
C30	C31	H311	H313	125.3°	90.0°
C30	C31	H312	H313	114.7°	90.0°
O6	C30	C31	H311	180.0°	90.0°
O6	C30	C31	H312	54.8°	90.0°
O6	C30	C31	H313	54.7°	90.0°
O7	C30	C31	H311	17.5°	90.0°
O7	C30	C31	H312	107.7°	90.0°
O7	C30	C31	H313	142.8°	90.0°
H311	C31	H312	H313	114.8°	90.0°
HM11	CM1	HM12	HM13	115.2°	90.0°
HM21	CM2	HM22	HM23	118.4°	90.0°
HM31	CM3	HM32	HM33	118.8°	90.0°
HM41	CM4	HM42	HM43	113.2°	90.0°
HM51	CM5	HM52	HM53	113.5°	90.0°
HM61	CM6	HM62	HM63	118.0°	90.0°
HM71	CM7	HM72	HM73	117.9°	90.0°
HM81	CM8	HM82	HM83	117.8°	90.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1PPR