Summary Geometry PCM/PTM Related PDB entries

BCB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
MG	NA	sing	2.16Å	2.18Å
MG	NB	sing	2.10Å	2.04Å
MG	NC	sing	2.12Å	2.08Å
MG	ND	sing	2.05Å	2.01Å
CHA	C1A	sing	1.39Å	1.40Å
CHA	C4D	doub	1.44Å	1.37Å
CHA	CBD	sing	1.52Å	1.54Å
CHB	C4A	doub	1.41Å	1.38Å
CHB	C1B	sing	1.45Å	1.39Å
CHB	HHB	sing	0.94Å	1.08Å
CHC	C4B	sing	1.45Å	1.40Å
CHC	C1C	doub	1.40Å	1.39Å
CHC	HHC	sing	0.94Å	1.08Å
CHD	C4C	sing	1.40Å	1.40Å
CHD	C1D	doub	1.41Å	1.40Å
CHD	HHD	sing	0.95Å	1.08Å
NA	C1A	doub	1.38Å	1.39Å
NA	C4A	sing	1.35Å	1.38Å
C1A	C2A	sing	1.52Å	1.51Å
C2A	C3A	sing	1.56Å	1.49Å
C2A	CAA	sing	1.55Å	1.53Å
C2A	H2A	sing	0.99Å	1.10Å
C3A	C4A	sing	1.53Å	1.51Å
C3A	CMA	sing	1.53Å	1.53Å
C3A	H3A	sing	0.99Å	1.10Å
CMA	HMA1	sing	0.97Å	1.10Å
CMA	HMA2	sing	0.98Å	1.10Å
CMA	HMA3	sing	0.98Å	1.10Å
CAA	CBA	sing	1.53Å	1.51Å
CAA	HAA1	sing	0.99Å	1.10Å
CAA	HAA2	sing	0.99Å	1.10Å
CBA	CGA	sing	1.50Å	1.49Å
CBA	HBA1	sing	0.98Å	1.10Å
CBA	HBA2	sing	0.98Å	1.10Å
CGA	O1A	doub	1.21Å	1.21Å
CGA	O2A	sing	1.35Å	1.37Å
O2A	C1	sing	1.45Å	1.45Å
NB	C1B	sing	1.35Å	1.38Å	Aromatic
NB	C4B	sing	1.39Å	1.38Å	Aromatic
C1B	C2B	doub	1.39Å	1.45Å	Aromatic
C2B	C3B	sing	1.42Å	1.36Å	Aromatic
C2B	CMB	sing	1.51Å	1.53Å
C3B	C4B	doub	1.42Å	1.46Å	Aromatic
C3B	CAB	sing	1.48Å	1.45Å
CMB	HMB1	sing	0.97Å	1.10Å
CMB	HMB2	sing	0.97Å	1.10Å
CMB	HMB3	sing	0.97Å	1.10Å
CAB	OBB	doub	1.23Å	1.23Å
CAB	CBB	sing	1.50Å	1.51Å
CBB	HBB1	sing	0.97Å	1.10Å
CBB	HBB2	sing	0.97Å	1.10Å
CBB	HBB3	sing	0.97Å	1.10Å
NC	C1C	sing	1.33Å	1.38Å
NC	C4C	doub	1.42Å	1.40Å
C1C	C2C	sing	1.51Å	1.51Å
C2C	C3C	sing	1.52Å	1.49Å
C2C	CMC	sing	1.53Å	1.52Å
C3C	C4C	sing	1.39Å	1.41Å
C3C	CAC	doub	1.35Å	1.39Å
CMC	HMC1	sing	0.97Å	1.10Å
CMC	HMC2	sing	0.97Å	1.10Å
CMC	HMC3	sing	0.97Å	1.10Å
CAC	CBC	sing	1.50Å	1.52Å
CAC	HAC1	sing	0.95Å	1.08Å
CBC	HBC1	sing	0.97Å	1.10Å
CBC	HBC2	sing	0.97Å	1.10Å
CBC	HBC3	sing	0.97Å	1.10Å
ND	C1D	sing	1.38Å	1.37Å
ND	C4D	sing	1.37Å	1.36Å
C1D	C2D	sing	1.42Å	1.45Å
C2D	C3D	doub	1.42Å	1.36Å
C2D	CMD	sing	1.49Å	1.50Å
C3D	C4D	sing	1.38Å	1.42Å
C3D	CAD	sing	1.47Å	1.44Å
CMD	HMD1	sing	0.97Å	1.10Å
CMD	HMD2	sing	0.97Å	1.10Å
CMD	HMD3	sing	0.97Å	1.10Å
CAD	OBD	doub	1.22Å	1.23Å
CAD	CBD	sing	1.58Å	1.53Å
CBD	CGD	sing	1.52Å	1.54Å
CBD	HBD	sing	0.99Å	1.10Å
CGD	O1D	doub	1.20Å	1.25Å
CGD	O2D	sing	1.35Å	1.38Å
O2D	CED	sing	1.45Å	1.36Å
CED	HED1	sing	0.97Å	1.10Å
CED	HED2	sing	0.97Å	1.10Å
CED	HED3	sing	0.97Å	1.10Å
C1	C2	sing	1.50Å	1.42Å
C1	H11	sing	0.98Å	1.10Å
C1	H12	sing	0.98Å	1.10Å
C2	C3	doub	1.34Å	1.39Å
C2	H2	sing	0.95Å	1.08Å
C3	C4	sing	1.51Å	1.54Å
C3	C5	sing	1.52Å	1.51Å
C4	H41	sing	0.97Å	1.10Å
C4	H42	sing	0.97Å	1.10Å
C4	H43	sing	0.97Å	1.10Å
C5	C6	sing	1.53Å	1.49Å
C5	H51	sing	0.98Å	1.10Å
C5	H52	sing	0.98Å	1.10Å
C6	C7	sing	1.54Å	1.51Å
C6	H61	sing	0.98Å	1.10Å
C6	H62	sing	0.98Å	1.10Å
C7	C8	sing	1.56Å	1.52Å
C7	H71	sing	0.98Å	1.10Å
C7	H72	sing	0.98Å	1.10Å
C8	C9	sing	1.55Å	1.51Å
C8	C10	sing	1.56Å	1.51Å
C8	H8	sing	0.99Å	1.10Å
C9	H91	sing	0.97Å	1.10Å
C9	H92	sing	0.97Å	1.10Å
C9	H93	sing	0.97Å	1.10Å
C10	C11	sing	1.54Å	1.49Å
C10	H101	sing	0.98Å	1.10Å
C10	H102	sing	0.98Å	1.10Å
C11	C12	sing	1.54Å	1.49Å
C11	H111	sing	0.98Å	1.10Å
C11	H112	sing	0.98Å	1.10Å
C12	C13	sing	1.56Å	1.52Å
C12	H121	sing	0.98Å	1.10Å
C12	H122	sing	0.98Å	1.10Å
C13	C14	sing	1.55Å	1.50Å
C13	C15	sing	1.56Å	1.52Å
C13	H13	sing	1.00Å	1.10Å
C14	H141	sing	0.97Å	1.10Å
C14	H142	sing	0.97Å	1.10Å
C14	H143	sing	0.97Å	1.10Å
C15	C16	sing	1.54Å	1.49Å
C15	H151	sing	0.98Å	1.10Å
C15	H152	sing	0.98Å	1.10Å
C16	C17	sing	1.54Å	1.49Å
C16	H161	sing	0.98Å	1.10Å
C16	H162	sing	0.98Å	1.10Å
C17	C18	sing	1.55Å	1.52Å
C17	H171	sing	0.98Å	1.10Å
C17	H172	sing	0.98Å	1.10Å
C18	C19	sing	1.54Å	1.52Å
C18	C20	sing	1.54Å	1.52Å
C18	H18	sing	0.99Å	1.10Å
C19	H191	sing	0.97Å	1.10Å
C19	H192	sing	0.97Å	1.10Å
C19	H193	sing	0.97Å	1.10Å
C20	H201	sing	0.97Å	1.10Å
C20	H202	sing	0.97Å	1.10Å
C20	H203	sing	0.97Å	1.10Å
C2C	H2C	sing	0.99Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA	MG	NB	89.1°	90.6°
NA	MG	NC	168.0°	176.5°
NA	MG	ND	88.2°	91.3°
MG	NA	C1A	126.5°	128.4°
MG	NA	C4A	123.3°	124.1°
NB	MG	NC	91.0°	92.8°
NB	MG	ND	158.1°	178.0°
MG	NB	C1B	126.4°	126.9°
MG	NB	C4B	125.1°	125.5°
NC	MG	ND	87.3°	85.2°
MG	NC	C1C	123.6°	121.9°
MG	NC	C4C	127.7°	129.2°
MG	ND	C1D	129.9°	133.3°
MG	ND	C4D	123.2°	119.3°
C1A	CHA	C4D	122.8°	125.5°
C1A	CHA	CBD	130.9°	129.0°
CHA	C1A	NA	123.3°	120.5°
CHA	C1A	C2A	127.3°	126.7°
C4D	CHA	CBD	106.0°	105.5°
CHA	C4D	ND	134.1°	134.5°
CHA	C4D	C3D	114.8°	114.8°
CHA	CBD	CAD	104.0°	104.4°
CHA	CBD	CGD	106.1°	112.4°
CHA	CBD	HBD	113.2°	109.6°
C4A	CHB	C1B	127.3°	130.4°
C4A	CHB	HHB	116.3°	115.4°
CHB	C4A	NA	125.7°	125.1°
CHB	C4A	C3A	125.5°	121.8°
C1B	CHB	HHB	116.3°	114.2°
CHB	C1B	NB	126.7°	122.7°
CHB	C1B	C2B	124.3°	127.4°
C4B	CHC	C1C	126.7°	131.1°
C4B	CHC	HHC	116.6°	113.4°
CHC	C4B	NB	125.8°	120.5°
CHC	C4B	C3B	125.8°	129.5°
C1C	CHC	HHC	116.7°	115.5°
CHC	C1C	NC	125.7°	128.0°
CHC	C1C	C2C	126.6°	122.2°
C4C	CHD	C1D	128.1°	128.9°
C4C	CHD	HHD	116.0°	116.1°
CHD	C4C	NC	122.3°	121.9°
CHD	C4C	C3C	125.0°	128.1°
C1D	CHD	HHD	115.9°	115.0°
CHD	C1D	ND	122.5°	121.1°
CHD	C1D	C2D	126.3°	130.0°
C1A	NA	C4A	110.1°	107.5°
NA	C1A	C2A	109.3°	112.6°
NA	C4A	C3A	108.8°	113.1°
C1A	C2A	C3A	103.8°	100.6°
C1A	C2A	CAA	111.1°	111.7°
C1A	C2A	H2A	110.5°	109.0°
C3A	C2A	CAA	110.2°	116.0°
C3A	C2A	H2A	110.8°	111.0°
C2A	C3A	C4A	104.1°	101.3°
C2A	C3A	CMA	110.2°	113.6°
C2A	C3A	H3A	112.0°	112.4°
CAA	C2A	H2A	110.3°	108.3°
C2A	CAA	CBA	112.3°	116.4°
C2A	CAA	HAA1	108.7°	108.6°
C2A	CAA	HAA2	108.8°	108.1°
C4A	C3A	CMA	107.3°	113.3°
C4A	C3A	H3A	111.6°	110.3°
CMA	C3A	H3A	111.3°	106.1°
C3A	CMA	HMA1	109.5°	109.7°
C3A	CMA	HMA2	109.5°	110.0°
C3A	CMA	HMA3	109.5°	109.9°
HMA1	CMA	HMA2	109.4°	109.0°
HMA1	CMA	HMA3	109.4°	109.0°
HMA2	CMA	HMA3	109.5°	109.3°
CBA	CAA	HAA1	108.8°	108.6°
CBA	CAA	HAA2	108.8°	107.8°
CAA	CBA	CGA	113.9°	113.9°
CAA	CBA	HBA1	108.4°	108.4°
CAA	CBA	HBA2	108.3°	109.6°
HAA1	CAA	HAA2	109.5°	106.9°
CGA	CBA	HBA1	108.4°	108.5°
CGA	CBA	HBA2	108.3°	109.1°
CBA	CGA	O1A	120.7°	124.6°
CBA	CGA	O2A	119.0°	111.5°
HBA1	CBA	HBA2	109.5°	107.1°
O1A	CGA	O2A	120.3°	123.9°
CGA	O2A	C1	116.6°	122.7°
O2A	C1	C2	108.8°	109.4°
O2A	C1	H11	109.6°	109.2°
O2A	C1	H12	109.6°	109.4°
C1B	NB	C4B	107.7°	107.5°
NB	C1B	C2B	109.0°	109.8°
NB	C4B	C3B	108.4°	109.9°
C1B	C2B	C3B	107.4°	108.4°
C1B	C2B	CMB	122.4°	124.6°
C3B	C2B	CMB	130.2°	126.8°
C2B	C3B	C4B	107.2°	104.1°
C2B	C3B	CAB	133.9°	132.9°
C2B	CMB	HMB1	109.5°	110.3°
C2B	CMB	HMB2	109.5°	109.8°
C2B	CMB	HMB3	109.5°	109.5°
C4B	C3B	CAB	118.9°	122.6°
C3B	CAB	OBB	123.3°	120.9°
C3B	CAB	CBB	115.3°	121.7°
HMB1	CMB	HMB2	109.5°	108.9°
HMB1	CMB	HMB3	109.5°	109.1°
HMB2	CMB	HMB3	109.4°	109.2°
OBB	CAB	CBB	118.3°	117.0°
CAB	CBB	HBB1	109.5°	109.6°
CAB	CBB	HBB2	109.5°	109.5°
CAB	CBB	HBB3	109.5°	109.5°
HBB1	CBB	HBB2	109.5°	109.4°
HBB1	CBB	HBB3	109.5°	109.4°
HBB2	CBB	HBB3	109.5°	109.4°
C1C	NC	C4C	108.6°	108.9°
NC	C1C	C2C	107.7°	109.8°
NC	C4C	C3C	112.5°	109.8°
C1C	C2C	C3C	105.1°	100.7°
C1C	C2C	CMC	111.1°	113.5°
C1C	C2C	H2C	110.5°	110.6°
C3C	C2C	CMC	108.9°	114.3°
C2C	C3C	C4C	104.7°	104.8°
C2C	C3C	CAC	127.5°	127.7°
C3C	C2C	H2C	110.8°	110.0°
C2C	CMC	HMC1	109.5°	109.3°
C2C	CMC	HMC2	109.5°	109.3°
C2C	CMC	HMC3	109.5°	109.4°
CMC	C2C	H2C	110.3°	107.6°
C4C	C3C	CAC	127.2°	127.5°
C3C	CAC	CBC	123.0°	131.1°
C3C	CAC	HAC1	118.5°	114.7°
HMC1	CMC	HMC2	109.5°	109.5°
HMC1	CMC	HMC3	109.4°	109.7°
HMC2	CMC	HMC3	109.5°	109.6°
CBC	CAC	HAC1	118.5°	114.2°
CAC	CBC	HBC1	109.5°	112.5°
CAC	CBC	HBC2	109.5°	109.4°
CAC	CBC	HBC3	109.5°	109.5°
HBC1	CBC	HBC2	109.5°	108.4°
HBC1	CBC	HBC3	109.5°	108.5°
HBC2	CBC	HBC3	109.5°	108.5°
C1D	ND	C4D	105.0°	107.3°
ND	C1D	C2D	110.5°	108.9°
ND	C4D	C3D	111.1°	110.6°
C1D	C2D	C3D	105.0°	106.3°
C1D	C2D	CMD	126.5°	128.9°
C3D	C2D	CMD	128.4°	124.8°
C2D	C3D	C4D	107.6°	106.9°
C2D	C3D	CAD	145.4°	144.9°
C2D	CMD	HMD1	109.5°	109.5°
C2D	CMD	HMD2	109.5°	109.5°
C2D	CMD	HMD3	109.4°	109.5°
C4D	C3D	CAD	106.9°	108.3°
C3D	CAD	OBD	130.5°	130.5°
C3D	CAD	CBD	107.6°	106.5°
HMD1	CMD	HMD2	109.5°	109.4°
HMD1	CMD	HMD3	109.4°	109.5°
HMD2	CMD	HMD3	109.5°	109.4°
OBD	CAD	CBD	120.8°	123.0°
CAD	CBD	CGD	106.1°	108.5°
CAD	CBD	HBD	113.4°	112.0°
CGD	CBD	HBD	113.2°	109.8°
CBD	CGD	O1D	115.1°	123.4°
CBD	CGD	O2D	123.6°	111.6°
O1D	CGD	O2D	121.2°	125.0°
CGD	O2D	CED	119.1°	118.4°
O2D	CED	HED1	109.5°	109.4°
O2D	CED	HED2	109.5°	109.3°
O2D	CED	HED3	109.4°	109.4°
HED1	CED	HED2	109.5°	109.5°
HED1	CED	HED3	109.5°	109.6°
HED2	CED	HED3	109.5°	109.6°
C2	C1	H11	109.6°	110.2°
C2	C1	H12	109.6°	109.9°
C1	C2	C3	123.3°	129.7°
C1	C2	H2	118.3°	113.5°
H11	C1	H12	109.5°	108.7°
C3	C2	H2	118.3°	116.8°
C2	C3	C4	126.6°	127.4°
C2	C3	C5	123.1°	118.2°
C4	C3	C5	110.3°	114.4°
C3	C4	H41	109.5°	110.6°
C3	C4	H42	109.5°	109.7°
C3	C4	H43	109.4°	109.7°
C3	C5	C6	109.0°	114.5°
C3	C5	H51	109.6°	108.9°
C3	C5	H52	109.6°	109.2°
H41	C4	H42	109.4°	108.9°
H41	C4	H43	109.5°	108.9°
H42	C4	H43	109.5°	109.1°
C6	C5	H51	109.6°	108.7°
C6	C5	H52	109.6°	108.1°
C5	C6	C7	110.2°	116.5°
C5	C6	H61	109.3°	107.4°
C5	C6	H62	109.3°	108.3°
H51	C5	H52	109.5°	107.1°
C7	C6	H61	109.3°	108.5°
C7	C6	H62	109.3°	108.4°
C6	C7	C8	112.7°	114.8°
C6	C7	H71	108.7°	108.3°
C6	C7	H72	108.6°	107.9°
H61	C6	H62	109.5°	107.3°
C8	C7	H71	108.7°	109.3°
C8	C7	H72	108.6°	109.2°
C7	C8	C9	110.2°	111.8°
C7	C8	C10	108.2°	115.5°
C7	C8	H8	109.7°	105.2°
H71	C7	H72	109.5°	107.1°
C9	C8	C10	109.2°	112.0°
C9	C8	H8	109.8°	106.7°
C8	C9	H91	109.5°	109.8°
C8	C9	H92	109.5°	109.7°
C8	C9	H93	109.5°	109.6°
C10	C8	H8	109.8°	104.8°
C8	C10	C11	112.5°	114.8°
C8	C10	H101	108.7°	109.1°
C8	C10	H102	108.7°	109.1°
H91	C9	H92	109.5°	109.2°
H91	C9	H93	109.5°	109.2°
H92	C9	H93	109.5°	109.3°
C11	C10	H101	108.7°	108.5°
C11	C10	H102	108.7°	107.8°
C10	C11	C12	108.2°	117.1°
C10	C11	H111	109.8°	107.9°
C10	C11	H112	109.8°	108.2°
H101	C10	H102	109.5°	107.2°
C12	C11	H111	109.8°	108.0°
C12	C11	H112	109.8°	108.5°
C11	C12	C13	114.1°	115.0°
C11	C12	H121	108.3°	108.8°
C11	C12	H122	108.3°	107.7°
H111	C11	H112	109.5°	106.7°
C13	C12	H121	108.3°	109.0°
C13	C12	H122	108.3°	109.0°
C12	C13	C14	109.0°	111.9°
C12	C13	C15	100.3°	115.7°
C12	C13	H13	113.2°	104.9°
H121	C12	H122	109.5°	107.1°
C14	C13	C15	106.9°	111.7°
C14	C13	H13	113.5°	106.5°
C13	C14	H141	109.5°	109.8°
C13	C14	H142	109.5°	109.7°
C13	C14	H143	109.4°	109.6°
C15	C13	H13	113.1°	105.3°
C13	C15	C16	113.8°	114.9°
C13	C15	H151	108.4°	109.2°
C13	C15	H152	108.4°	109.3°
H141	C14	H142	109.4°	109.1°
H141	C14	H143	109.5°	109.2°
H142	C14	H143	109.5°	109.3°
C16	C15	H151	108.4°	108.1°
C16	C15	H152	108.4°	108.1°
C15	C16	C17	109.5°	116.6°
C15	C16	H161	109.5°	108.2°
C15	C16	H162	109.5°	108.5°
H151	C15	H152	109.5°	107.0°
C17	C16	H161	109.4°	107.9°
C17	C16	H162	109.5°	108.7°
C16	C17	C18	112.8°	116.8°
C16	C17	H171	108.7°	108.0°
C16	C17	H172	108.7°	107.6°
H161	C16	H162	109.5°	106.7°
C18	C17	H171	108.6°	108.8°
C18	C17	H172	108.6°	108.7°
C17	C18	C19	110.0°	112.7°
C17	C18	C20	109.7°	112.9°
C17	C18	H18	108.6°	107.4°
H171	C17	H172	109.5°	106.6°
C19	C18	C20	111.5°	111.1°
C19	C18	H18	108.5°	106.2°
C18	C19	H191	109.5°	109.8°
C18	C19	H192	109.5°	109.7°
C18	C19	H193	109.5°	109.6°
C20	C18	H18	108.5°	106.0°
C18	C20	H201	109.5°	109.6°
C18	C20	H202	109.5°	109.8°
C18	C20	H203	109.5°	109.8°
H191	C19	H192	109.5°	109.3°
H191	C19	H193	109.4°	109.1°
H192	C19	H193	109.5°	109.3°
H201	C20	H202	109.5°	109.3°
H201	C20	H203	109.5°	109.0°
H202	C20	H203	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NA	MG	NB	NC	168.0°	179.7°
NA	MG	NB	ND	82.9°	165.4°
NA	MG	NC	ND	68.2°	5.0°
MG	NA	C1A	CHA	1.5°	7.8°
MG	NA	C4A	CHB	9.9°	2.0°
MG	NA	C1A	C4A	176.6°	178.9°
MG	NA	C1A	C2A	176.5°	168.6°
MG	NA	C4A	C3A	171.1°	175.9°
NA	MG	NB	C1B	11.4°	1.6°
NA	MG	NB	C4B	179.5°	177.7°
NA	MG	NC	C1C	106.1°	173.5°
NA	MG	NC	C4C	79.6°	9.7°
NA	MG	ND	C1D	174.4°	179.0°
NA	MG	ND	C4D	13.0°	2.4°
NB	MG	NC	ND	158.2°	179.5°
MG	NB	C1B	CHB	7.1°	3.1°
MG	NB	C4B	CHC	6.4°	3.8°
NB	MG	NA	C1A	163.5°	177.7°
NB	MG	NA	C4A	12.7°	1.0°
MG	NB	C1B	C4B	169.8°	176.6°
MG	NB	C1B	C2B	174.0°	176.2°
MG	NB	C4B	C3B	171.4°	173.5°
NB	MG	NC	C1C	16.0°	1.0°
NB	MG	NC	C4C	169.6°	175.8°
NB	MG	ND	C1D	102.6°	13.6°
NB	MG	ND	C4D	96.0°	163.0°
MG	NC	C1C	CHC	14.2°	2.0°
MG	NC	C4C	CHD	5.6°	7.9°
NC	MG	NA	C1A	73.3°	7.8°
NC	MG	NA	C4A	102.9°	173.5°
NC	MG	NB	C1B	179.4°	178.0°
NC	MG	NB	C4B	12.5°	2.0°
MG	NC	C1C	C4C	175.3°	177.4°
MG	NC	C1C	C2C	164.5°	175.6°
MG	NC	C4C	C3C	169.9°	167.3°
NC	MG	ND	C1D	16.7°	0.7°
NC	MG	ND	C4D	178.1°	177.3°
MG	ND	C4D	CHA	18.2°	3.4°
MG	ND	C1D	CHD	16.0°	3.0°
ND	MG	NA	C1A	5.2°	2.8°
ND	MG	NA	C4A	171.0°	178.5°
ND	MG	NB	C1B	94.3°	163.8°
ND	MG	NB	C4B	97.6°	12.2°
ND	MG	NC	C1C	174.2°	178.5°
ND	MG	NC	C4C	11.4°	4.7°
MG	ND	C1D	C4D	164.0°	176.9°
MG	ND	C1D	C2D	155.2°	177.4°
MG	ND	C4D	C3D	159.9°	177.8°
C1A	CHA	C4D	CBD	174.2°	178.4°
CHA	C1A	NA	C2A	177.9°	176.4°
CHA	C1A	NA	C4A	178.1°	173.3°
CHA	C1A	C2A	C3A	169.9°	163.6°
CHA	C1A	C2A	CAA	71.6°	72.7°
CHA	C1A	C2A	H2A	51.1°	46.9°
C1A	CHA	C4D	ND	8.3°	2.0°
C1A	CHA	C4D	C3D	169.8°	176.8°
C1A	CHA	CBD	CAD	166.1°	175.0°
C1A	CHA	CBD	CGD	54.4°	67.5°
C1A	CHA	CBD	HBD	70.4°	54.9°
C4D	CHA	C1A	NA	2.7°	7.8°
C4D	CHA	C1A	C2A	174.9°	168.1°
CHA	C4D	ND	C1D	176.4°	179.2°
CHA	C4D	ND	C3D	178.1°	178.9°
CHA	C4D	C3D	C2D	178.5°	179.2°
CHA	C4D	C3D	CAD	0.8°	0.4°
C4D	CHA	CBD	CAD	7.5°	6.7°
C4D	CHA	CBD	CGD	119.2°	110.8°
C4D	CHA	CBD	HBD	116.1°	126.8°
CBD	CHA	C1A	NA	169.9°	170.2°
CBD	CHA	C1A	C2A	12.5°	14.0°
CBD	CHA	C4D	ND	177.5°	176.4°
CBD	CHA	C4D	C3D	4.4°	4.8°
CHA	CBD	CAD	C3D	8.1°	6.6°
CHA	CBD	CAD	OBD	161.6°	174.2°
CHA	CBD	CAD	CGD	111.7°	120.1°
CHA	CBD	CAD	HBD	123.4°	118.5°
CHA	CBD	CGD	HBD	124.8°	122.3°
CHA	CBD	CGD	O1D	140.6°	55.3°
CHA	CBD	CGD	O2D	42.0°	124.5°
C4A	CHB	C1B	HHB	180.0°	179.0°
CHB	C4A	NA	C1A	166.9°	176.9°
CHB	C4A	NA	C3A	179.1°	178.0°
CHB	C4A	C3A	C2A	159.6°	164.7°
CHB	C4A	C3A	CMA	83.6°	73.2°
CHB	C4A	C3A	H3A	38.7°	45.5°
C4A	CHB	C1B	NB	1.4°	4.1°
C4A	CHB	C1B	C2B	177.3°	175.1°
C1B	CHB	C4A	NA	0.6°	3.6°
C1B	CHB	C4A	C3A	179.5°	174.2°
CHB	C1B	NB	C2B	178.9°	179.3°
CHB	C1B	NB	C4B	176.9°	179.8°
CHB	C1B	C2B	C3B	175.5°	176.8°
CHB	C1B	C2B	CMB	5.8°	2.2°
HHB	CHB	C4A	NA	179.4°	175.4°
HHB	CHB	C4A	C3A	0.5°	6.8°
HHB	CHB	C1B	NB	178.6°	174.8°
HHB	CHB	C1B	C2B	2.7°	6.0°
C4B	CHC	C1C	HHC	180.0°	177.5°
CHC	C4B	NB	C1B	176.4°	179.5°
CHC	C4B	NB	C3B	177.8°	177.3°
CHC	C4B	C3B	C2B	179.9°	178.5°
CHC	C4B	C3B	CAB	2.1°	5.0°
C4B	CHC	C1C	NC	2.8°	4.1°
C4B	CHC	C1C	C2C	175.6°	173.3°
C1C	CHC	C4B	NB	1.7°	4.9°
C1C	CHC	C4B	C3B	179.1°	171.8°
CHC	C1C	NC	C2C	178.7°	177.7°
CHC	C1C	NC	C4C	170.5°	175.3°
CHC	C1C	C2C	C3C	169.0°	163.0°
CHC	C1C	C2C	CMC	73.4°	74.5°
CHC	C1C	C2C	H2C	49.4°	46.6°
HHC	CHC	C4B	NB	178.3°	172.7°
HHC	CHC	C4B	C3B	0.8°	10.7°
HHC	CHC	C1C	NC	177.2°	173.4°
HHC	CHC	C1C	C2C	4.4°	9.2°
C4C	CHD	C1D	HHD	180.0°	178.5°
CHD	C4C	NC	C1C	179.4°	175.0°
CHD	C4C	NC	C3C	175.5°	175.2°
CHD	C4C	C3C	C2C	172.4°	163.4°
CHD	C4C	C3C	CAC	16.3°	14.2°
C4C	CHD	C1D	ND	3.7°	0.4°
C4C	CHD	C1D	C2D	166.1°	179.9°
C1D	CHD	C4C	NC	1.2°	5.1°
C1D	CHD	C4C	C3C	176.2°	169.2°
CHD	C1D	ND	C2D	171.2°	179.6°
CHD	C1D	ND	C4D	180.0°	179.9°
CHD	C1D	C2D	C3D	179.7°	180.0°
CHD	C1D	C2D	CMD	1.8°	0.5°
HHD	CHD	C4C	NC	178.8°	173.4°
HHD	CHD	C4C	C3C	3.8°	12.3°
HHD	CHD	C1D	ND	176.3°	178.8°
HHD	CHD	C1D	C2D	13.9°	1.7°
NA	C1A	C2A	C3A	12.2°	20.2°
NA	C1A	C2A	CAA	106.2°	103.4°
NA	C1A	C2A	H2A	131.1°	137.0°
C1A	NA	C4A	C3A	12.2°	5.1°
C4A	NA	C1A	C2A	0.1°	10.3°
NA	C4A	C3A	C2A	19.4°	17.2°
NA	C4A	C3A	CMA	97.4°	104.9°
NA	C4A	C3A	H3A	140.4°	136.4°
C1A	C2A	C3A	CAA	119.1°	120.6°
C1A	C2A	C3A	H2A	118.6°	115.2°
C1A	C2A	CAA	H2A	122.9°	120.0°
C1A	C2A	C3A	C4A	18.3°	20.4°
C1A	C2A	C3A	CMA	96.5°	101.4°
C1A	C2A	C3A	H3A	139.1°	138.1°
C1A	C2A	CAA	CBA	49.9°	156.0°
C1A	C2A	CAA	HAA1	170.4°	81.1°
C1A	C2A	CAA	HAA2	70.5°	34.6°
C3A	C2A	CAA	H2A	122.6°	125.6°
C2A	C3A	C4A	CMA	116.8°	122.1°
C2A	C3A	C4A	H3A	121.0°	119.2°
C2A	C3A	CMA	H3A	124.8°	124.0°
C2A	C3A	CMA	HMA1	180.0°	179.9°
C2A	C3A	CMA	HMA2	60.0°	60.1°
C2A	C3A	CMA	HMA3	60.0°	60.2°
C3A	C2A	CAA	CBA	64.6°	89.5°
C3A	C2A	CAA	HAA1	55.8°	33.4°
C3A	C2A	CAA	HAA2	175.0°	149.0°
CAA	C2A	C3A	C4A	100.8°	100.1°
CAA	C2A	C3A	CMA	144.4°	138.0°
CAA	C2A	C3A	H3A	20.0°	17.5°
C2A	CAA	CBA	HAA1	120.4°	122.9°
C2A	CAA	CBA	HAA2	120.4°	121.6°
C2A	CAA	HAA1	HAA2	118.7°	116.4°
C2A	CAA	CBA	CGA	173.3°	93.1°
C2A	CAA	CBA	HBA1	66.0°	145.9°
C2A	CAA	CBA	HBA2	52.7°	29.4°
H2A	C2A	C3A	C4A	137.0°	135.7°
H2A	C2A	C3A	CMA	22.1°	13.8°
H2A	C2A	C3A	H3A	102.3°	106.7°
H2A	C2A	CAA	CBA	172.8°	36.1°
H2A	C2A	CAA	HAA1	66.8°	159.0°
H2A	C2A	CAA	HAA2	52.4°	85.4°
C4A	C3A	CMA	H3A	122.4°	121.1°
C4A	C3A	CMA	HMA1	67.3°	65.1°
C4A	C3A	CMA	HMA2	52.7°	175.0°
C4A	C3A	CMA	HMA3	172.8°	54.7°
C3A	CMA	HMA1	HMA2	120.0°	120.4°
C3A	CMA	HMA1	HMA3	120.0°	120.4°
C3A	CMA	HMA2	HMA3	120.0°	120.7°
H3A	C3A	CMA	HMA1	55.2°	56.0°
H3A	C3A	CMA	HMA2	175.2°	63.9°
H3A	C3A	CMA	HMA3	64.8°	175.8°
HMA1	CMA	HMA2	HMA3	119.9°	119.0°
CBA	CAA	HAA1	HAA2	118.7°	116.1°
CAA	CBA	CGA	HBA1	120.7°	120.9°
CAA	CBA	CGA	HBA2	120.6°	122.8°
CAA	CBA	HBA1	HBA2	118.0°	118.2°
CAA	CBA	CGA	O1A	7.4°	77.5°
CAA	CBA	CGA	O2A	174.2°	102.7°
HAA1	CAA	CBA	CGA	52.9°	29.8°
HAA1	CAA	CBA	HBA1	173.6°	91.1°
HAA1	CAA	CBA	HBA2	67.7°	152.3°
HAA2	CAA	CBA	CGA	66.2°	145.3°
HAA2	CAA	CBA	HBA1	54.4°	24.4°
HAA2	CAA	CBA	HBA2	173.1°	92.2°
CGA	CBA	HBA1	HBA2	118.0°	117.7°
CBA	CGA	O1A	O2A	178.4°	179.8°
CBA	CGA	O2A	C1	172.7°	178.8°
HBA1	CBA	CGA	O1A	128.0°	43.4°
HBA1	CBA	CGA	O2A	53.5°	136.4°
HBA2	CBA	CGA	O1A	113.2°	159.8°
HBA2	CBA	CGA	O2A	65.2°	20.1°
O1A	CGA	O2A	C1	5.8°	1.3°
CGA	O2A	C1	C2	83.3°	170.2°
CGA	O2A	C1	H11	36.6°	49.5°
CGA	O2A	C1	H12	156.8°	69.4°
O2A	C1	C2	H11	119.9°	120.1°
O2A	C1	C2	H12	119.9°	120.1°
O2A	C1	H11	H12	120.3°	119.3°
O2A	C1	C2	C3	127.1°	159.9°
O2A	C1	C2	H2	53.0°	20.7°
NB	C1B	C2B	C3B	5.6°	2.4°
NB	C1B	C2B	CMB	173.1°	177.1°
C1B	NB	C4B	C3B	1.4°	3.2°
C4B	NB	C1B	C2B	4.3°	0.5°
NB	C4B	C3B	C2B	2.1°	4.5°
NB	C4B	C3B	CAB	179.8°	178.1°
C1B	C2B	C3B	CMB	178.6°	174.5°
C1B	C2B	C3B	C4B	4.6°	4.2°
C1B	C2B	C3B	CAB	177.8°	176.7°
C1B	C2B	CMB	HMB1	89.3°	163.5°
C1B	C2B	CMB	HMB2	150.7°	43.5°
C1B	C2B	CMB	HMB3	30.7°	76.4°
C2B	C3B	C4B	CAB	178.1°	173.5°
C3B	C2B	CMB	HMB1	89.1°	22.8°
C3B	C2B	CMB	HMB2	31.0°	142.8°
C3B	C2B	CMB	HMB3	150.9°	97.3°
C2B	C3B	CAB	OBB	149.1°	146.5°
C2B	C3B	CAB	CBB	10.5°	41.3°
CMB	C2B	C3B	C4B	174.0°	178.7°
CMB	C2B	C3B	CAB	3.7°	8.8°
C2B	CMB	HMB1	HMB2	120.0°	120.6°
C2B	CMB	HMB1	HMB3	120.0°	120.3°
C2B	CMB	HMB2	HMB3	120.0°	120.0°
C4B	C3B	CAB	OBB	28.3°	42.1°
C4B	C3B	CAB	CBB	172.1°	130.1°
C3B	CAB	OBB	CBB	159.0°	172.5°
C3B	CAB	CBB	HBB1	160.7°	11.2°
C3B	CAB	CBB	HBB2	79.3°	108.8°
C3B	CAB	CBB	HBB3	40.7°	131.3°
HMB1	CMB	HMB2	HMB3	120.0°	119.1°
OBB	CAB	CBB	HBB1	0.0°	161.3°
OBB	CAB	CBB	HBB2	120.0°	78.7°
OBB	CAB	CBB	HBB3	120.0°	41.2°
CAB	CBB	HBB1	HBB2	120.0°	120.0°
CAB	CBB	HBB1	HBB3	120.0°	120.1°
CAB	CBB	HBB2	HBB3	120.0°	120.0°
HBB1	CBB	HBB2	HBB3	120.0°	119.9°
NC	C1C	C2C	C3C	12.4°	19.2°
NC	C1C	C2C	CMC	105.3°	103.4°
C1C	NC	C4C	C3C	5.1°	9.8°
NC	C1C	C2C	H2C	131.9°	135.5°
C4C	NC	C1C	C2C	10.8°	7.0°
NC	C4C	C3C	C2C	2.9°	21.8°
NC	C4C	C3C	CAC	168.3°	160.6°
C1C	C2C	C3C	CMC	119.1°	122.0°
C1C	C2C	C3C	H2C	119.4°	116.7°
C1C	C2C	CMC	H2C	122.9°	122.8°
C1C	C2C	C3C	C4C	9.0°	24.0°
C1C	C2C	C3C	CAC	162.2°	158.5°
C1C	C2C	CMC	HMC1	180.0°	179.7°
C1C	C2C	CMC	HMC2	60.0°	59.8°
C1C	C2C	CMC	HMC3	60.0°	60.2°
C3C	C2C	CMC	H2C	121.8°	122.5°
C2C	C3C	C4C	CAC	171.3°	177.6°
C3C	C2C	CMC	HMC1	64.7°	65.6°
C3C	C2C	CMC	HMC2	55.3°	174.5°
C3C	C2C	CMC	HMC3	175.3°	54.5°
C2C	C3C	CAC	CBC	3.1°	1.8°
C2C	C3C	CAC	HAC1	176.9°	177.0°
CMC	C2C	C3C	C4C	110.1°	98.1°
CMC	C2C	C3C	CAC	78.7°	79.5°
C2C	CMC	HMC1	HMC2	120.0°	119.8°
C2C	CMC	HMC1	HMC3	120.0°	120.0°
C2C	CMC	HMC2	HMC3	120.0°	119.9°
C4C	C3C	CAC	CBC	172.4°	175.2°
C4C	C3C	CAC	HAC1	7.6°	6.0°
C4C	C3C	C2C	H2C	128.4°	140.7°
C3C	CAC	CBC	HAC1	180.0°	178.8°
C3C	CAC	CBC	HBC1	180.0°	2.6°
C3C	CAC	CBC	HBC2	60.0°	123.1°
C3C	CAC	CBC	HBC3	60.0°	118.1°
CAC	C3C	C2C	H2C	42.8°	41.7°
HMC1	CMC	HMC2	HMC3	120.0°	120.3°
HMC1	CMC	C2C	H2C	57.1°	57.0°
HMC2	CMC	C2C	H2C	177.1°	62.9°
HMC3	CMC	C2C	H2C	62.9°	177.1°
CAC	CBC	HBC1	HBC2	120.0°	121.1°
CAC	CBC	HBC1	HBC3	120.0°	121.3°
CAC	CBC	HBC2	HBC3	120.0°	119.4°
HAC1	CAC	CBC	HBC1	0.0°	178.5°
HAC1	CAC	CBC	HBC2	120.0°	58.0°
HAC1	CAC	CBC	HBC3	120.0°	60.8°
HBC1	CBC	HBC2	HBC3	120.0°	117.6°
ND	C1D	C2D	C3D	8.9°	0.4°
ND	C1D	C2D	CMD	169.0°	179.9°
C1D	ND	C4D	C3D	5.5°	0.4°
C4D	ND	C1D	C2D	8.8°	0.5°
ND	C4D	C3D	C2D	0.0°	0.1°
ND	C4D	C3D	CAD	177.7°	179.5°
C1D	C2D	C3D	CMD	177.9°	179.5°
C1D	C2D	C3D	C4D	5.2°	0.2°
C1D	C2D	C3D	CAD	178.7°	179.5°
C1D	C2D	CMD	HMD1	91.2°	151.4°
C1D	C2D	CMD	HMD2	148.7°	31.4°
C1D	C2D	CMD	HMD3	28.7°	88.6°
C2D	C3D	C4D	CAD	177.7°	179.6°
C3D	C2D	CMD	HMD1	91.3°	29.2°
C3D	C2D	CMD	HMD2	28.7°	149.2°
C3D	C2D	CMD	HMD3	148.7°	90.8°
C2D	C3D	CAD	OBD	13.5°	2.4°
C2D	C3D	CAD	CBD	178.2°	176.7°
CMD	C2D	C3D	C4D	172.7°	179.7°
CMD	C2D	C3D	CAD	3.4°	0.9°
C2D	CMD	HMD1	HMD2	120.0°	120.1°
C2D	CMD	HMD1	HMD3	120.0°	120.0°
C2D	CMD	HMD2	HMD3	120.0°	120.0°
C4D	C3D	CAD	OBD	162.6°	176.9°
C4D	C3D	CAD	CBD	5.7°	4.0°
C3D	CAD	OBD	CBD	167.1°	179.0°
C3D	CAD	CBD	CGD	119.8°	113.5°
C3D	CAD	CBD	HBD	115.4°	125.1°
HMD1	CMD	HMD2	HMD3	120.0°	119.9°
OBD	CAD	CBD	CGD	49.9°	65.7°
OBD	CAD	CBD	HBD	74.9°	55.7°
CAD	CBD	CGD	HBD	124.9°	122.7°
CAD	CBD	CGD	O1D	109.2°	59.7°
CAD	CBD	CGD	O2D	68.3°	120.5°
CBD	CGD	O1D	O2D	177.5°	179.8°
CBD	CGD	O2D	CED	159.7°	179.6°
HBD	CBD	CGD	O1D	15.8°	177.6°
HBD	CBD	CGD	O2D	166.8°	2.2°
O1D	CGD	O2D	CED	23.0°	0.2°
CGD	O2D	CED	HED1	180.0°	59.9°
CGD	O2D	CED	HED2	60.0°	179.9°
CGD	O2D	CED	HED3	60.0°	60.1°
O2D	CED	HED1	HED2	120.0°	119.9°
O2D	CED	HED1	HED3	120.0°	119.9°
O2D	CED	HED2	HED3	120.0°	119.9°
HED1	CED	HED2	HED3	120.0°	120.2°
C2	C1	H11	H12	120.3°	120.5°
C1	C2	C3	H2	180.0°	179.5°
C1	C2	C3	C4	0.1°	0.4°
C1	C2	C3	C5	178.5°	179.1°
H11	C1	C2	C3	7.1°	39.7°
H11	C1	C2	H2	172.9°	140.8°
H12	C1	C2	C3	113.1°	80.0°
H12	C1	C2	H2	66.9°	99.5°
C2	C3	C4	C5	178.7°	179.5°
C2	C3	C4	H41	180.0°	0.9°
C2	C3	C4	H42	60.0°	119.2°
C2	C3	C4	H43	60.0°	121.0°
C2	C3	C5	C6	96.1°	86.6°
C2	C3	C5	H51	144.0°	35.3°
C2	C3	C5	H52	23.9°	152.0°
H2	C2	C3	C4	179.9°	179.8°
H2	C2	C3	C5	1.5°	0.3°
C3	C4	H41	H42	120.0°	120.6°
C3	C4	H41	H43	120.0°	120.6°
C3	C4	H42	H43	120.0°	120.1°
C4	C3	C5	C6	82.7°	93.0°
C4	C3	C5	H51	37.3°	145.1°
C4	C3	C5	H52	157.4°	28.5°
C5	C3	C4	H41	1.3°	179.6°
C5	C3	C4	H42	118.7°	60.3°
C5	C3	C4	H43	121.3°	59.5°
C3	C5	C6	H51	119.9°	122.0°
C3	C5	C6	H52	119.9°	122.0°
C3	C5	H51	H52	120.2°	118.0°
C3	C5	C6	C7	78.4°	149.7°
C3	C5	C6	H61	41.7°	88.4°
C3	C5	C6	H62	161.5°	27.1°
H41	C4	H42	H43	120.0°	118.7°
C6	C5	H51	H52	120.2°	116.6°
C5	C6	C7	H61	120.1°	121.3°
C5	C6	C7	H62	120.1°	122.5°
C5	C6	H61	H62	119.7°	116.3°
C5	C6	C7	C8	171.7°	178.2°
C5	C6	C7	H71	67.8°	59.4°
C5	C6	C7	H72	51.3°	56.2°
H51	C5	C6	C7	161.7°	27.7°
H51	C5	C6	H61	78.3°	149.6°
H51	C5	C6	H62	41.6°	94.9°
H52	C5	C6	C7	41.5°	88.3°
H52	C5	C6	H61	161.6°	33.6°
H52	C5	C6	H62	78.6°	149.2°
C7	C6	H61	H62	119.6°	117.0°
C6	C7	C8	H71	120.5°	121.8°
C6	C7	C8	H72	120.4°	121.3°
C6	C7	H71	H72	118.5°	116.1°
C6	C7	C8	C9	62.8°	91.6°
C6	C7	C8	C10	177.9°	138.9°
C6	C7	C8	H8	58.2°	23.8°
H61	C6	C7	C8	51.6°	56.9°
H61	C6	C7	H71	172.1°	179.3°
H61	C6	C7	H72	68.9°	65.1°
H62	C6	C7	C8	68.2°	59.3°
H62	C6	C7	H71	52.3°	63.1°
H62	C6	C7	H72	171.4°	178.7°
C8	C7	H71	H72	118.5°	118.2°
C7	C8	C9	C10	118.6°	131.4°
C7	C8	C9	H8	120.9°	114.5°
C7	C8	C10	H8	119.6°	115.2°
C7	C8	C9	H91	180.0°	176.5°
C7	C8	C9	H92	60.0°	56.5°
C7	C8	C9	H93	60.0°	63.5°
C7	C8	C10	C11	178.5°	144.6°
C7	C8	C10	H101	58.1°	93.3°
C7	C8	C10	H102	61.1°	23.5°
H71	C7	C8	C9	176.7°	30.3°
H71	C7	C8	C10	57.4°	99.3°
H71	C7	C8	H8	62.3°	145.7°
H72	C7	C8	C9	57.6°	147.2°
H72	C7	C8	C10	61.7°	17.6°
H72	C7	C8	H8	178.6°	97.4°
C9	C8	C10	H8	120.5°	115.3°
C8	C9	H91	H92	120.0°	120.3°
C8	C9	H91	H93	120.0°	120.2°
C8	C9	H92	H93	120.0°	120.2°
C9	C8	C10	C11	61.6°	85.9°
C9	C8	C10	H101	177.9°	36.1°
C9	C8	C10	H102	58.8°	153.0°
C10	C8	C9	H91	61.3°	52.1°
C10	C8	C9	H92	58.7°	172.2°
C10	C8	C9	H93	178.6°	67.9°
C8	C10	C11	H101	120.5°	122.3°
C8	C10	C11	H102	120.4°	121.8°
C8	C10	H101	H102	118.6°	118.0°
C8	C10	C11	C12	164.0°	169.3°
C8	C10	C11	H111	76.2°	68.7°
C8	C10	C11	H112	44.2°	46.4°
H8	C8	C9	H91	59.1°	62.0°
H8	C8	C9	H92	179.1°	58.0°
H8	C8	C9	H93	60.9°	178.0°
H8	C8	C10	C11	58.8°	29.4°
H8	C8	C10	H101	61.6°	151.4°
H8	C8	C10	H102	179.3°	91.7°
H91	C9	H92	H93	120.0°	119.4°
C11	C10	H101	H102	118.6°	116.2°
C10	C11	C12	H111	119.8°	121.9°
C10	C11	C12	H112	119.8°	122.8°
C10	C11	H111	H112	120.6°	116.1°
C10	C11	C12	C13	169.2°	153.4°
C10	C11	C12	H121	48.5°	30.8°
C10	C11	C12	H122	70.1°	84.9°
H101	C10	C11	C12	43.6°	47.0°
H101	C10	C11	H111	163.4°	169.0°
H101	C10	C11	H112	76.2°	76.0°
H102	C10	C11	C12	75.5°	68.9°
H102	C10	C11	H111	44.3°	53.1°
H102	C10	C11	H112	164.7°	168.2°
C12	C11	H111	H112	120.6°	116.5°
C11	C12	C13	H121	120.7°	122.5°
C11	C12	C13	H122	120.7°	121.0°
C11	C12	H121	H122	117.9°	116.1°
C11	C12	C13	C14	60.5°	86.8°
C11	C12	C13	C15	172.4°	143.8°
C11	C12	C13	H13	66.8°	28.3°
H111	C11	C12	C13	71.0°	84.7°
H111	C11	C12	H121	168.3°	152.8°
H111	C11	C12	H122	49.7°	37.0°
H112	C11	C12	C13	49.4°	30.6°
H112	C11	C12	H121	71.3°	92.0°
H112	C11	C12	H122	170.1°	152.3°
C13	C12	H121	H122	117.9°	117.7°
C12	C13	C14	C15	107.5°	131.5°
C12	C13	C14	H13	127.1°	114.1°
C12	C13	C15	H13	120.8°	115.3°
C12	C13	C14	H141	180.0°	176.0°
C12	C13	C14	H142	60.0°	56.1°
C12	C13	C14	H143	60.0°	63.9°
C12	C13	C15	C16	146.7°	114.4°
C12	C13	C15	H151	26.1°	124.0°
C12	C13	C15	H152	92.6°	7.2°
H121	C12	C13	C14	178.8°	35.7°
H121	C12	C13	C15	66.9°	93.7°
H121	C12	C13	H13	53.9°	150.7°
H122	C12	C13	C14	60.2°	152.2°
H122	C12	C13	C15	51.7°	22.8°
H122	C12	C13	H13	172.5°	92.8°
C14	C13	C15	H13	125.6°	115.2°
C13	C14	H141	H142	120.0°	120.3°
C13	C14	H141	H143	120.0°	120.3°
C13	C14	H142	H143	120.0°	120.2°
C14	C13	C15	C16	99.7°	116.1°
C14	C13	C15	H151	139.6°	5.5°
C14	C13	C15	H152	21.0°	122.3°
C15	C13	C14	H141	72.5°	52.5°
C15	C13	C14	H142	47.5°	172.4°
C15	C13	C14	H143	167.5°	67.5°
C13	C15	C16	H151	120.6°	122.2°
C13	C15	C16	H152	120.6°	122.3°
C13	C15	H151	H152	118.0°	118.2°
C13	C15	C16	C17	79.0°	179.0°
C13	C15	C16	H161	161.1°	59.3°
C13	C15	C16	H162	41.1°	56.0°
H13	C13	C14	H141	52.9°	62.0°
H13	C13	C14	H142	172.9°	58.0°
H13	C13	C14	H143	67.1°	178.0°
H13	C13	C15	C16	25.9°	0.9°
H13	C13	C15	H151	94.7°	120.7°
H13	C13	C15	H152	146.6°	122.6°
H141	C14	H142	H143	120.0°	119.4°
C16	C15	H151	H152	118.0°	116.2°
C15	C16	C17	H161	120.0°	121.8°
C15	C16	C17	H162	120.0°	122.9°
C15	C16	H161	H162	120.0°	116.5°
C15	C16	C17	C18	160.9°	86.8°
C15	C16	C17	H171	40.5°	36.1°
C15	C16	C17	H172	78.6°	150.8°
H151	C15	C16	C17	41.7°	56.8°
H151	C15	C16	H161	78.3°	178.5°
H151	C15	C16	H162	161.7°	66.2°
H152	C15	C16	C17	160.4°	58.7°
H152	C15	C16	H161	40.4°	63.0°
H152	C15	C16	H162	79.6°	178.3°
C17	C16	H161	H162	120.0°	116.6°
C16	C17	C18	H171	120.5°	122.5°
C16	C17	C18	H172	120.5°	121.8°
C16	C17	H171	H172	118.5°	115.3°
C16	C17	C18	C19	65.1°	109.8°
C16	C17	C18	C20	171.9°	123.3°
C16	C17	C18	H18	53.5°	6.7°
H161	C16	C17	C18	79.1°	151.4°
H161	C16	C17	H171	160.4°	85.7°
H161	C16	C17	H172	41.4°	29.0°
H162	C16	C17	C18	40.9°	36.1°
H162	C16	C17	H171	79.6°	159.0°
H162	C16	C17	H172	161.4°	86.3°
C18	C17	H171	H172	118.5°	117.0°
C17	C18	C19	C20	121.9°	127.9°
C17	C18	C19	H18	118.6°	117.3°
C17	C18	C20	H18	118.4°	117.4°
C17	C18	C19	H191	180.0°	177.5°
C17	C18	C19	H192	60.0°	62.3°
C17	C18	C19	H193	60.0°	57.7°
C17	C18	C20	H201	180.0°	58.0°
C17	C18	C20	H202	60.0°	62.0°
C17	C18	C20	H203	60.0°	177.7°
H171	C17	C18	C19	174.4°	127.7°
H171	C17	C18	C20	51.4°	0.8°
H171	C17	C18	H18	67.0°	115.8°
H172	C17	C18	C19	55.4°	12.0°
H172	C17	C18	C20	67.6°	114.8°
H172	C17	C18	H18	174.0°	128.6°
C19	C18	C20	H18	119.5°	114.9°
C18	C19	H191	H192	120.0°	120.4°
C18	C19	H191	H193	120.0°	120.1°
C18	C19	H192	H193	120.0°	120.2°
C19	C18	C20	H201	57.9°	174.2°
C19	C18	C20	H202	177.9°	65.7°
C19	C18	C20	H203	62.1°	54.5°
C20	C18	C19	H191	58.1°	54.6°
C20	C18	C19	H192	61.9°	65.6°
C20	C18	C19	H193	178.1°	174.4°
C18	C20	H201	H202	120.0°	120.3°
C18	C20	H201	H203	120.0°	120.2°
C18	C20	H202	H203	120.0°	120.6°
H18	C18	C19	H191	61.4°	60.2°
H18	C18	C19	H192	178.6°	179.6°
H18	C18	C19	H193	58.6°	59.6°
H18	C18	C20	H201	61.6°	59.3°
H18	C18	C20	H202	58.5°	179.4°
H18	C18	C20	H203	178.4°	60.4°
H191	C19	H192	H193	120.0°	119.4°
H201	C20	H202	H203	120.0°	119.2°

Definition date:	1999-07-08
Last modified:	2026-07-31
Release status:	REL
Processing site:	EBI
Derived from:	3PRC