UFE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2C	CCC	doub	0.00Å	1.26Å
O1C	CCC	sing	0.00Å	1.26Å
CCC	CBC	sing	0.00Å	1.52Å
CBC	CAC	sing	0.00Å	1.51Å
CAC	C3C	sing	0.00Å	1.50Å
O3C	CEC	doub	0.00Å	1.26Å
CDC	CEC	sing	0.00Å	1.54Å
CDC	C2C	sing	0.00Å	1.50Å
CEC	O4C	sing	0.00Å	1.26Å
C3C	C2C	doub	0.00Å	1.47Å	Aromatic
C3C	C4C	sing	0.00Å	1.49Å	Aromatic
C2C	C1C	sing	0.00Å	1.47Å	Aromatic
O2D	CCD	doub	0.00Å	1.25Å
CCD	O1D	sing	0.00Å	1.26Å
CCD	CBD	sing	0.00Å	1.51Å
C4C	CHD	doub	0.00Å	1.48Å
C4C	NC	sing	0.00Å	1.34Å	Aromatic
C1C	CHC	doub	0.00Å	1.47Å
C1C	NC	sing	0.00Å	1.32Å	Aromatic
CHD	C1D	sing	0.00Å	1.48Å
CBD	CAD	sing	0.00Å	1.54Å
CHC	C4B	sing	0.00Å	1.47Å
CBB	CCB	sing	0.00Å	1.52Å
CBB	CAB	sing	0.00Å	1.54Å
NC	FE	sing	0.00Å	2.08Å
O1B	CCB	doub	0.00Å	1.26Å
CAD	C2D	sing	0.00Å	1.51Å
CCB	O2B	sing	0.00Å	1.25Å
C1D	C2D	sing	0.00Å	1.49Å
C1D	ND	doub	0.00Å	1.34Å
CAB	C3B	sing	0.00Å	1.51Å
C2D	C3D	doub	0.00Å	1.48Å
C4B	C3B	sing	0.00Å	1.50Å
C4B	NB	doub	0.00Å	1.33Å
O3D	CED	doub	0.00Å	1.26Å
C3B	C2B	doub	0.00Å	1.48Å
ND	FE	sing	0.00Å	2.09Å
ND	C4D	sing	0.00Å	1.35Å
FE	NB	sing	0.00Å	2.09Å
FE	NA	sing	0.00Å	2.09Å
NB	C1B	sing	0.00Å	1.35Å
C3D	C4D	sing	0.00Å	1.49Å
C3D	CDD	sing	0.00Å	1.51Å
CED	O4D	sing	0.00Å	1.26Å
CED	CDD	sing	0.00Å	1.51Å
C4D	CHA	doub	0.00Å	1.49Å
C2B	C1B	sing	0.00Å	1.50Å
C2B	CDB	sing	0.00Å	1.53Å
C1B	CHB	doub	0.00Å	1.46Å
NA	C1A	sing	0.00Å	1.34Å	Aromatic
NA	C4A	sing	0.00Å	1.33Å	Aromatic
CDB	CEB	sing	0.00Å	1.54Å
CHA	C1A	sing	0.00Å	1.47Å
CHB	C4A	sing	0.00Å	1.45Å
C1A	C2A	doub	0.00Å	1.49Å	Aromatic
C4A	C3A	doub	0.00Å	1.46Å	Aromatic
CEB	O4B	doub	0.00Å	1.26Å
CEB	O3B	sing	0.00Å	1.26Å
C2A	C3A	sing	0.00Å	1.46Å	Aromatic
C2A	CDA	sing	0.00Å	1.50Å
C3A	CAA	sing	0.00Å	1.48Å
O3A	CEA	doub	0.00Å	1.26Å
CDA	CEA	sing	0.00Å	1.52Å
CAA	CBA	sing	0.00Å	1.51Å
CBA	CCA	sing	0.00Å	1.51Å
CEA	O4A	sing	0.00Å	1.26Å
O2A	CCA	doub	0.00Å	1.26Å
CCA	O1A	sing	0.00Å	1.26Å
O4D	H1	sing	0.00Å	0.95Å
CDD	H2	sing	0.00Å	1.10Å
CDD	H3	sing	0.00Å	1.10Å
CAD	H4	sing	0.00Å	1.10Å
CAD	H5	sing	0.00Å	1.10Å
CBD	H6	sing	0.00Å	1.10Å
CBD	H7	sing	0.00Å	1.10Å
O1D	H8	sing	0.00Å	0.95Å
CHD	H9	sing	0.00Å	1.08Å
CHA	H10	sing	0.00Å	1.08Å
CAA	H11	sing	0.00Å	1.10Å
CAA	H12	sing	0.00Å	1.10Å
CBA	H13	sing	0.00Å	1.10Å
CBA	H14	sing	0.00Å	1.10Å
O1A	H15	sing	0.00Å	0.95Å
CDA	H16	sing	0.00Å	1.10Å
CDA	H17	sing	0.00Å	1.10Å
O4A	H18	sing	0.00Å	0.95Å
CAB	H19	sing	0.00Å	1.10Å
CAB	H20	sing	0.00Å	1.10Å
CBB	H21	sing	0.00Å	1.10Å
CBB	H22	sing	0.00Å	1.10Å
O2B	H23	sing	0.00Å	0.95Å
CDB	H24	sing	0.00Å	1.10Å
CDB	H25	sing	0.00Å	1.10Å
O3B	H26	sing	0.00Å	0.95Å
CHB	H27	sing	0.00Å	1.08Å
CDC	H28	sing	0.00Å	1.10Å
CDC	H29	sing	0.00Å	1.10Å
O4C	H30	sing	0.00Å	0.95Å
CHC	H31	sing	0.00Å	1.08Å
CAC	H32	sing	0.00Å	1.10Å
CAC	H33	sing	0.00Å	1.10Å
CBC	H34	sing	0.00Å	1.10Å
CBC	H35	sing	0.00Å	1.10Å
O1C	H36	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2C	CCC	O1C	121.5°	90.0°
O2C	CCC	CBC	118.8°	90.0°
O1C	CCC	CBC	119.6°	90.0°
CCC	O1C	H36	109.5°	90.0°
CCC	CBC	CAC	106.4°	90.0°
CCC	CBC	H34	110.3°	90.0°
CCC	CBC	H35	110.2°	90.0°
CBC	CAC	C3C	113.3°	90.0°
CBC	CAC	H32	108.5°	90.0°
CBC	CAC	H33	108.5°	90.0°
CAC	CBC	H34	110.3°	90.0°
CAC	CBC	H35	110.2°	90.0°
CAC	C3C	C2C	127.8°	90.0°
CAC	C3C	C4C	129.7°	90.0°
C3C	CAC	H32	108.5°	90.0°
C3C	CAC	H33	108.5°	90.0°
O3C	CEC	CDC	119.5°	90.0°
O3C	CEC	O4C	119.9°	90.0°
CEC	CDC	C2C	103.8°	90.0°
CDC	CEC	O4C	120.5°	90.0°
CEC	CDC	H28	110.9°	90.0°
CEC	CDC	H29	110.8°	90.0°
CDC	C2C	C3C	133.5°	90.0°
CDC	C2C	C1C	123.4°	90.0°
C2C	CDC	H28	110.8°	90.0°
C2C	CDC	H29	110.9°	90.0°
CEC	O4C	H30	109.5°	90.0°
C2C	C3C	C4C	102.5°	90.0°
C3C	C2C	C1C	103.0°	90.0°
C3C	C4C	CHD	123.6°	90.0°
C3C	C4C	NC	113.9°	90.0°
C2C	C1C	CHC	120.5°	90.0°
C2C	C1C	NC	115.1°	90.0°
O2D	CCD	O1D	123.5°	90.0°
O2D	CCD	CBD	115.6°	90.0°
O1D	CCD	CBD	120.8°	90.0°
CCD	O1D	H8	109.5°	90.0°
CCD	CBD	CAD	108.9°	90.0°
CCD	CBD	H6	109.6°	90.0°
CCD	CBD	H7	109.6°	90.0°
CHD	C4C	NC	122.3°	90.0°
C4C	CHD	C1D	127.4°	90.0°
C4C	CHD	H9	116.3°	90.0°
C4C	NC	C1C	105.5°	90.0°
C4C	NC	FE	128.0°	90.0°
CHC	C1C	NC	124.3°	90.0°
C1C	CHC	C4B	126.5°	90.0°
C1C	CHC	H31	116.7°	90.0°
C1C	NC	FE	126.3°	90.0°
CHD	C1D	C2D	122.7°	90.0°
CHD	C1D	ND	122.8°	90.0°
C1D	CHD	H9	116.2°	90.0°
CBD	CAD	C2D	110.4°	90.0°
CBD	CAD	H4	109.2°	90.0°
CBD	CAD	H5	109.2°	90.0°
CAD	CBD	H6	109.6°	90.0°
CAD	CBD	H7	109.6°	90.0°
CHC	C4B	C3B	124.1°	90.0°
CHC	C4B	NB	121.6°	90.0°
C4B	CHC	H31	116.8°	90.0°
CCB	CBB	CAB	114.1°	90.0°
CBB	CCB	O1B	118.5°	90.0°
CBB	CCB	O2B	118.9°	90.0°
CCB	CBB	H21	108.3°	90.0°
CCB	CBB	H22	108.3°	90.0°
CBB	CAB	C3B	109.1°	90.0°
CBB	CAB	H19	109.6°	90.0°
CBB	CAB	H20	109.5°	90.0°
CAB	CBB	H21	108.3°	90.0°
CAB	CBB	H22	108.3°	90.0°
NC	FE	ND	90.2°	90.0°
NC	FE	NB	90.3°	90.0°
NC	FE	NA	178.2°	90.0°
O1B	CCB	O2B	122.6°	90.0°
CAD	C2D	C1D	130.3°	90.0°
CAD	C2D	C3D	127.3°	90.0°
C2D	CAD	H4	109.2°	90.0°
C2D	CAD	H5	109.2°	90.0°
CCB	O2B	H23	109.5°	90.0°
C2D	C1D	ND	114.4°	90.0°
C1D	C2D	C3D	102.3°	90.0°
C1D	ND	FE	127.1°	90.0°
C1D	ND	C4D	106.2°	90.0°
CAB	C3B	C4B	128.1°	90.0°
CAB	C3B	C2B	127.6°	90.0°
C3B	CAB	H19	109.6°	90.0°
C3B	CAB	H20	109.6°	90.0°
C2D	C3D	C4D	103.8°	90.0°
C2D	C3D	CDD	126.9°	90.0°
C3B	C4B	NB	114.4°	90.0°
C4B	C3B	C2B	104.3°	90.0°
C4B	NB	FE	128.0°	90.0°
C4B	NB	C1B	104.5°	90.0°
O3D	CED	O4D	124.1°	90.0°
O3D	CED	CDD	119.9°	90.0°
C3B	C2B	C1B	100.5°	90.0°
C3B	C2B	CDB	127.8°	90.0°
FE	ND	C4D	126.5°	90.0°
ND	FE	NB	177.9°	90.0°
ND	FE	NA	89.8°	90.0°
ND	C4D	C3D	113.2°	90.0°
ND	C4D	CHA	124.1°	90.0°
NB	FE	NA	89.7°	90.0°
FE	NB	C1B	127.3°	90.0°
FE	NA	C1A	128.9°	90.0°
FE	NA	C4A	126.4°	90.0°
NB	C1B	C2B	116.3°	90.0°
NB	C1B	CHB	122.2°	90.0°
C4D	C3D	CDD	129.3°	90.0°
C3D	C4D	CHA	122.7°	90.0°
C3D	CDD	CED	112.6°	90.0°
C3D	CDD	H2	108.7°	90.0°
C3D	CDD	H3	108.7°	90.0°
O4D	CED	CDD	116.0°	90.0°
CED	O4D	H1	109.5°	90.0°
CED	CDD	H2	108.7°	90.0°
CED	CDD	H3	108.7°	90.0°
C4D	CHA	C1A	125.6°	90.0°
C4D	CHA	H10	117.2°	90.0°
C1B	C2B	CDB	131.7°	90.0°
C2B	C1B	CHB	121.4°	90.0°
C2B	CDB	CEB	116.4°	90.0°
C2B	CDB	H24	107.7°	90.0°
C2B	CDB	H25	107.7°	90.0°
C1B	CHB	C4A	127.5°	90.0°
C1B	CHB	H27	116.3°	90.0°
C1A	NA	C4A	104.5°	90.0°
NA	C1A	CHA	122.1°	90.0°
NA	C1A	C2A	114.5°	90.0°
NA	C4A	CHB	124.6°	90.0°
NA	C4A	C3A	115.4°	90.0°
CDB	CEB	O4B	119.2°	90.0°
CDB	CEB	O3B	120.5°	90.0°
CEB	CDB	H24	107.7°	90.0°
CEB	CDB	H25	107.7°	90.0°
CHA	C1A	C2A	123.3°	90.0°
C1A	CHA	H10	117.2°	90.0°
CHB	C4A	C3A	119.9°	90.0°
C4A	CHB	H27	116.3°	90.0°
C1A	C2A	C3A	102.0°	90.0°
C1A	C2A	CDA	130.4°	90.0°
C4A	C3A	C2A	103.5°	90.0°
C4A	C3A	CAA	127.0°	90.0°
O4B	CEB	O3B	120.4°	90.0°
CEB	O3B	H26	109.5°	90.0°
C3A	C2A	CDA	127.6°	90.0°
C2A	C3A	CAA	129.5°	90.0°
C2A	CDA	CEA	105.1°	90.0°
C2A	CDA	H16	110.5°	90.0°
C2A	CDA	H17	110.5°	90.0°
C3A	CAA	CBA	105.8°	90.0°
C3A	CAA	H11	110.4°	90.0°
C3A	CAA	H12	110.4°	90.0°
O3A	CEA	CDA	117.8°	90.0°
O3A	CEA	O4A	124.2°	90.0°
CDA	CEA	O4A	118.0°	90.0°
CEA	CDA	H16	110.5°	90.0°
CEA	CDA	H17	110.5°	90.0°
CAA	CBA	CCA	105.8°	90.0°
CBA	CAA	H11	110.4°	90.0°
CBA	CAA	H12	110.4°	90.0°
CAA	CBA	H13	110.4°	90.0°
CAA	CBA	H14	110.4°	90.0°
CBA	CCA	O2A	119.7°	90.0°
CBA	CCA	O1A	118.0°	90.0°
CCA	CBA	H13	110.4°	90.0°
CCA	CBA	H14	110.4°	90.0°
CEA	O4A	H18	109.5°	90.0°
O2A	CCA	O1A	122.3°	90.0°
CCA	O1A	H15	109.5°	90.0°
H2	CDD	H3	109.5°	90.0°
H4	CAD	H5	109.5°	90.0°
H6	CBD	H7	109.5°	90.0°
H11	CAA	H12	109.5°	90.0°
H13	CBA	H14	109.5°	90.0°
H16	CDA	H17	109.5°	90.0°
H19	CAB	H20	109.5°	90.0°
H21	CBB	H22	109.5°	90.0°
H24	CDB	H25	109.5°	90.0°
H28	CDC	H29	109.5°	90.0°
H32	CAC	H33	109.5°	90.0°
H34	CBC	H35	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2C	CCC	O1C	CBC	179.0°	90.0°
O2C	CCC	CBC	CAC	95.5°	90.0°
O2C	CCC	CBC	H34	24.0°	90.0°
O2C	CCC	CBC	H35	145.0°	90.0°
O2C	CCC	O1C	H36	0.0°	90.0°
O1C	CCC	CBC	CAC	83.5°	90.0°
O1C	CCC	CBC	H34	156.9°	90.0°
O1C	CCC	CBC	H35	36.0°	90.0°
CCC	CBC	CAC	H34	119.5°	90.0°
CCC	CBC	CAC	H35	119.5°	90.0°
CCC	CBC	CAC	C3C	162.1°	90.0°
CCC	CBC	CAC	H32	77.3°	90.0°
CCC	CBC	CAC	H33	41.6°	90.0°
CCC	CBC	H34	H35	121.4°	90.0°
CBC	CCC	O1C	H36	179.0°	90.0°
CBC	CAC	C3C	H32	120.5°	90.0°
CBC	CAC	C3C	H33	120.6°	90.0°
CBC	CAC	C3C	C2C	96.6°	90.0°
CBC	CAC	C3C	C4C	86.6°	90.0°
CBC	CAC	H32	H33	118.3°	90.0°
CAC	CBC	H34	H35	121.4°	90.0°
CAC	C3C	C2C	CDC	5.0°	90.0°
CAC	C3C	C2C	C4C	177.5°	90.0°
CAC	C3C	C2C	C1C	179.4°	90.0°
CAC	C3C	C4C	CHD	2.9°	90.0°
CAC	C3C	C4C	NC	179.6°	90.0°
C3C	CAC	H32	H33	118.3°	90.0°
C3C	CAC	CBC	H34	42.6°	90.0°
C3C	CAC	CBC	H35	78.4°	90.0°
O3C	CEC	CDC	O4C	177.7°	90.0°
O3C	CEC	CDC	C2C	77.8°	90.0°
O3C	CEC	CDC	H28	41.3°	90.0°
O3C	CEC	CDC	H29	163.1°	90.0°
O3C	CEC	O4C	H30	0.0°	90.0°
CEC	CDC	C2C	H28	119.1°	90.0°
CEC	CDC	C2C	H29	119.1°	90.0°
CEC	CDC	C2C	C3C	117.6°	90.0°
CEC	CDC	C2C	C1C	57.2°	90.0°
CEC	CDC	H28	H29	122.6°	90.0°
CDC	CEC	O4C	H30	177.6°	90.0°
C2C	CDC	CEC	O4C	99.9°	90.0°
CDC	C2C	C3C	C1C	175.5°	90.0°
CDC	C2C	C3C	C4C	177.5°	90.0°
CDC	C2C	C1C	CHC	6.0°	90.0°
CDC	C2C	C1C	NC	176.7°	90.0°
C2C	CDC	H28	H29	122.6°	90.0°
O4C	CEC	CDC	H28	141.0°	90.0°
O4C	CEC	CDC	H29	19.3°	90.0°
C2C	C3C	C4C	CHD	179.7°	90.0°
C2C	C3C	C4C	NC	3.1°	90.0°
C3C	C2C	C1C	CHC	177.9°	90.0°
C3C	C2C	C1C	NC	0.6°	90.0°
C3C	C2C	CDC	H28	1.5°	90.0°
C3C	C2C	CDC	H29	123.3°	90.0°
C2C	C3C	CAC	H32	142.9°	90.0°
C2C	C3C	CAC	H33	24.0°	90.0°
C4C	C3C	C2C	C1C	2.0°	90.0°
C3C	C4C	CHD	NC	176.3°	90.0°
C3C	C4C	NC	C1C	2.7°	90.0°
C3C	C4C	CHD	C1D	168.1°	90.0°
C3C	C4C	NC	FE	177.9°	90.0°
C3C	C4C	CHD	H9	11.9°	90.0°
C4C	C3C	CAC	H32	33.9°	90.0°
C4C	C3C	CAC	H33	152.8°	90.0°
C2C	C1C	NC	C4C	1.3°	90.0°
C2C	C1C	CHC	NC	177.0°	90.0°
C2C	C1C	CHC	C4B	159.5°	90.0°
C2C	C1C	NC	FE	176.6°	90.0°
C1C	C2C	CDC	H28	176.3°	90.0°
C1C	C2C	CDC	H29	61.9°	90.0°
C2C	C1C	CHC	H31	20.5°	90.0°
O2D	CCD	O1D	CBD	177.6°	90.0°
O2D	CCD	CBD	CAD	48.4°	90.0°
O2D	CCD	CBD	H6	71.5°	90.0°
O2D	CCD	CBD	H7	168.3°	90.0°
O2D	CCD	O1D	H8	0.0°	90.0°
O1D	CCD	CBD	CAD	129.4°	90.0°
O1D	CCD	CBD	H6	110.7°	90.0°
O1D	CCD	CBD	H7	9.5°	90.0°
CCD	CBD	CAD	H6	119.9°	90.0°
CCD	CBD	CAD	H7	119.9°	90.0°
CCD	CBD	CAD	C2D	70.7°	90.0°
CCD	CBD	CAD	H4	49.4°	90.0°
CCD	CBD	CAD	H5	169.1°	90.0°
CCD	CBD	H6	H7	120.3°	90.0°
CBD	CCD	O1D	H8	177.7°	90.0°
CHD	C4C	NC	C1C	179.4°	90.0°
C4C	CHD	C1D	H9	180.0°	90.0°
CHD	C4C	NC	FE	5.4°	90.0°
C4C	CHD	C1D	C2D	168.3°	90.0°
C4C	CHD	C1D	ND	7.5°	90.0°
C4C	NC	C1C	CHC	175.9°	90.0°
C4C	NC	C1C	FE	175.3°	90.0°
NC	C4C	CHD	C1D	8.3°	90.0°
C4C	NC	FE	ND	13.3°	90.0°
C4C	NC	FE	NB	164.7°	90.0°
C4C	NC	FE	NA	74.6°	90.0°
NC	C4C	CHD	H9	171.7°	90.0°
C1C	CHC	C4B	H31	180.0°	90.0°
CHC	C1C	NC	FE	0.6°	90.0°
C1C	CHC	C4B	C3B	160.8°	90.0°
C1C	CHC	C4B	NB	18.3°	90.0°
NC	C1C	CHC	C4B	17.5°	90.0°
C1C	NC	FE	ND	172.5°	90.0°
C1C	NC	FE	NB	9.5°	90.0°
C1C	NC	FE	NA	99.6°	90.0°
NC	C1C	CHC	H31	162.5°	90.0°
CHD	C1D	C2D	CAD	2.0°	90.0°
CHD	C1D	C2D	ND	176.1°	90.0°
CHD	C1D	C2D	C3D	177.9°	90.0°
CHD	C1D	ND	FE	6.8°	90.0°
CHD	C1D	ND	C4D	178.5°	90.0°
CBD	CAD	C2D	H4	120.1°	90.0°
CBD	CAD	C2D	H5	120.2°	90.0°
CBD	CAD	C2D	C1D	73.9°	90.0°
CBD	CAD	C2D	C3D	106.3°	90.0°
CBD	CAD	H4	H5	119.6°	90.0°
CAD	CBD	H6	H7	120.2°	90.0°
CHC	C4B	C3B	CAB	1.9°	90.0°
CHC	C4B	C3B	NB	179.2°	90.0°
CHC	C4B	C3B	C2B	178.0°	90.0°
CHC	C4B	NB	FE	2.6°	90.0°
CHC	C4B	NB	C1B	176.8°	90.0°
CCB	CBB	CAB	H21	120.7°	90.0°
CCB	CBB	CAB	H22	120.7°	90.0°
CBB	CCB	O1B	O2B	178.8°	90.0°
CCB	CBB	CAB	C3B	78.9°	90.0°
CCB	CBB	CAB	H19	41.0°	90.0°
CCB	CBB	CAB	H20	161.1°	90.0°
CCB	CBB	H21	H22	117.9°	90.0°
CBB	CCB	O2B	H23	178.8°	90.0°
CAB	CBB	CCB	O1B	141.7°	90.0°
CAB	CBB	CCB	O2B	39.4°	90.0°
CBB	CAB	C3B	H19	120.0°	90.0°
CBB	CAB	C3B	H20	119.9°	90.0°
CBB	CAB	C3B	C4B	59.4°	90.0°
CBB	CAB	C3B	C2B	120.5°	90.0°
CBB	CAB	H19	H20	120.2°	90.0°
CAB	CBB	H21	H22	117.9°	90.0°
NC	FE	ND	C1D	13.9°	90.0°
NC	FE	NB	C4B	8.5°	90.0°
NC	FE	ND	NB	103.9°	90.0°
NC	FE	ND	NA	178.2°	90.0°
NC	FE	ND	C4D	172.5°	90.0°
NC	FE	NB	NA	178.2°	90.0°
NC	FE	NB	C1B	164.4°	90.0°
NC	FE	NA	C1A	99.0°	90.0°
NC	FE	NA	C4A	77.2°	90.0°
O1B	CCB	CBB	H21	97.6°	90.0°
O1B	CCB	CBB	H22	21.0°	90.0°
O1B	CCB	O2B	H23	0.0°	90.0°
CAD	C2D	C1D	C3D	179.8°	90.0°
CAD	C2D	C1D	ND	178.1°	90.0°
CAD	C2D	C3D	C4D	179.5°	90.0°
CAD	C2D	C3D	CDD	1.1°	90.0°
C2D	CAD	H4	H5	119.6°	90.0°
C2D	CAD	CBD	H6	169.3°	90.0°
C2D	CAD	CBD	H7	49.2°	90.0°
O2B	CCB	CBB	H21	81.2°	90.0°
O2B	CCB	CBB	H22	160.2°	90.0°
C2D	C1D	ND	FE	177.1°	90.0°
C2D	C1D	ND	C4D	2.4°	90.0°
C1D	C2D	C3D	C4D	0.4°	90.0°
C1D	C2D	C3D	CDD	179.1°	90.0°
C1D	C2D	CAD	H4	46.2°	90.0°
C1D	C2D	CAD	H5	165.9°	90.0°
C2D	C1D	CHD	H9	11.7°	90.0°
ND	C1D	C2D	C3D	1.8°	90.0°
C1D	ND	FE	C4D	173.6°	90.0°
C1D	ND	FE	NB	90.0°	90.0°
C1D	ND	FE	NA	164.4°	90.0°
C1D	ND	C4D	C3D	2.1°	90.0°
C1D	ND	C4D	CHA	176.8°	90.0°
ND	C1D	CHD	H9	172.5°	90.0°
CAB	C3B	C4B	C2B	179.9°	90.0°
CAB	C3B	C4B	NB	178.9°	90.0°
CAB	C3B	C2B	C1B	179.4°	90.0°
CAB	C3B	C2B	CDB	0.4°	90.0°
C3B	CAB	H19	H20	120.2°	90.0°
C3B	CAB	CBB	H21	160.4°	90.0°
C3B	CAB	CBB	H22	41.7°	90.0°
C2D	C3D	C4D	ND	1.0°	90.0°
C2D	C3D	C4D	CDD	179.5°	90.0°
C2D	C3D	CDD	CED	56.7°	90.0°
C2D	C3D	C4D	CHA	177.9°	90.0°
C2D	C3D	CDD	H2	63.7°	90.0°
C2D	C3D	CDD	H3	177.2°	90.0°
C3D	C2D	CAD	H4	133.6°	90.0°
C3D	C2D	CAD	H5	13.9°	90.0°
C3B	C4B	NB	FE	176.6°	90.0°
C3B	C4B	NB	C1B	2.4°	90.0°
C4B	C3B	C2B	C1B	0.5°	90.0°
C4B	C3B	C2B	CDB	179.7°	90.0°
C4B	C3B	CAB	H19	179.3°	90.0°
C4B	C3B	CAB	H20	60.5°	90.0°
C3B	C4B	CHC	H31	19.2°	90.0°
NB	C4B	C3B	C2B	1.2°	90.0°
C4B	NB	FE	ND	112.4°	90.0°
C4B	NB	FE	C1B	172.9°	90.0°
C4B	NB	FE	NA	173.2°	90.0°
C4B	NB	C1B	C2B	2.9°	90.0°
C4B	NB	C1B	CHB	179.6°	90.0°
NB	C4B	CHC	H31	161.7°	90.0°
O3D	CED	CDD	C3D	3.1°	90.0°
O3D	CED	O4D	CDD	179.2°	90.0°
O3D	CED	O4D	H1	0.0°	90.0°
O3D	CED	CDD	H2	123.6°	90.0°
O3D	CED	CDD	H3	117.3°	90.0°
C3B	C2B	C1B	NB	2.1°	90.0°
C3B	C2B	C1B	CDB	179.8°	90.0°
C3B	C2B	C1B	CHB	178.8°	90.0°
C3B	C2B	CDB	CEB	175.9°	90.0°
C2B	C3B	CAB	H19	0.5°	90.0°
C2B	C3B	CAB	H20	119.6°	90.0°
C3B	C2B	CDB	H24	55.0°	90.0°
C3B	C2B	CDB	H25	63.0°	90.0°
ND	FE	NB	NA	74.3°	90.0°
ND	FE	NB	C1B	60.5°	90.0°
FE	ND	C4D	C3D	176.8°	90.0°
FE	ND	C4D	CHA	2.1°	90.0°
ND	FE	NA	C1A	11.1°	90.0°
ND	FE	NA	C4A	165.1°	90.0°
C4D	ND	FE	NB	83.6°	90.0°
C4D	ND	FE	NA	9.3°	90.0°
ND	C4D	C3D	CHA	178.9°	90.0°
ND	C4D	C3D	CDD	179.5°	90.0°
ND	C4D	CHA	C1A	18.0°	90.0°
ND	C4D	CHA	H10	162.0°	90.0°
FE	NB	C1B	C2B	177.1°	90.0°
FE	NB	C1B	CHB	6.2°	90.0°
NB	FE	NA	C1A	170.9°	90.0°
NB	FE	NA	C4A	12.9°	90.0°
NA	FE	NB	C1B	13.9°	90.0°
FE	NA	C1A	C4A	176.8°	90.0°
FE	NA	C1A	CHA	1.1°	90.0°
FE	NA	C4A	CHB	4.4°	90.0°
FE	NA	C1A	C2A	177.4°	90.0°
FE	NA	C4A	C3A	178.1°	90.0°
NB	C1B	C2B	CHB	176.7°	90.0°
NB	C1B	C2B	CDB	178.1°	90.0°
NB	C1B	CHB	C4A	9.0°	90.0°
NB	C1B	CHB	H27	171.0°	90.0°
C4D	C3D	CDD	CED	123.9°	90.0°
C3D	C4D	CHA	C1A	160.8°	90.0°
C4D	C3D	CDD	H2	115.6°	90.0°
C4D	C3D	CDD	H3	3.5°	90.0°
C3D	C4D	CHA	H10	19.2°	90.0°
C3D	CDD	CED	O4D	177.6°	90.0°
C3D	CDD	CED	H2	120.4°	90.0°
C3D	CDD	CED	H3	120.4°	90.0°
CDD	C3D	C4D	CHA	1.6°	90.0°
C3D	CDD	H2	H3	118.6°	90.0°
O4D	CED	CDD	H2	57.2°	90.0°
O4D	CED	CDD	H3	61.9°	90.0°
CDD	CED	O4D	H1	179.2°	90.0°
CED	CDD	H2	H3	118.6°	90.0°
C4D	CHA	C1A	NA	16.1°	90.0°
C4D	CHA	C1A	H10	180.0°	90.0°
C4D	CHA	C1A	C2A	159.8°	90.0°
C1B	C2B	CDB	CEB	3.7°	90.0°
C2B	C1B	CHB	C4A	167.6°	90.0°
C1B	C2B	CDB	H24	124.7°	90.0°
C1B	C2B	CDB	H25	117.3°	90.0°
C2B	C1B	CHB	H27	12.4°	90.0°
CDB	C2B	C1B	CHB	1.4°	90.0°
C2B	CDB	CEB	H24	121.0°	90.0°
C2B	CDB	CEB	H25	121.0°	90.0°
C2B	CDB	CEB	O4B	123.6°	90.0°
C2B	CDB	CEB	O3B	56.9°	90.0°
C2B	CDB	H24	H25	116.8°	90.0°
C1B	CHB	C4A	NA	10.0°	90.0°
C1B	CHB	C4A	H27	180.0°	90.0°
C1B	CHB	C4A	C3A	167.4°	90.0°
NA	C1A	CHA	C2A	176.0°	90.0°
C1A	NA	C4A	CHB	178.7°	90.0°
C1A	NA	C4A	C3A	1.1°	90.0°
NA	C1A	C2A	C3A	0.3°	90.0°
NA	C1A	C2A	CDA	177.8°	90.0°
NA	C1A	CHA	H10	163.9°	90.0°
C4A	NA	C1A	CHA	175.8°	90.0°
NA	C4A	CHB	C3A	177.4°	90.0°
C4A	NA	C1A	C2A	0.5°	90.0°
NA	C4A	C3A	C2A	1.3°	90.0°
NA	C4A	C3A	CAA	178.3°	90.0°
NA	C4A	CHB	H27	170.0°	90.0°
CDB	CEB	O4B	O3B	179.5°	90.0°
CEB	CDB	H24	H25	116.9°	90.0°
CDB	CEB	O3B	H26	179.5°	90.0°
CHA	C1A	C2A	C3A	176.5°	90.0°
CHA	C1A	C2A	CDA	6.0°	90.0°
CHB	C4A	C3A	C2A	179.0°	90.0°
CHB	C4A	C3A	CAA	0.6°	90.0°
C1A	C2A	C3A	C4A	0.8°	90.0°
C1A	C2A	C3A	CDA	177.6°	90.0°
C1A	C2A	C3A	CAA	178.7°	90.0°
C1A	C2A	CDA	CEA	96.6°	90.0°
C2A	C1A	CHA	H10	20.2°	90.0°
C1A	C2A	CDA	H16	22.6°	90.0°
C1A	C2A	CDA	H17	144.1°	90.0°
C4A	C3A	C2A	CAA	179.6°	90.0°
C4A	C3A	C2A	CDA	178.4°	90.0°
C4A	C3A	CAA	CBA	74.8°	90.0°
C4A	C3A	CAA	H11	165.8°	90.0°
C4A	C3A	CAA	H12	44.7°	90.0°
C3A	C4A	CHB	H27	12.6°	90.0°
O4B	CEB	CDB	H24	2.6°	90.0°
O4B	CEB	CDB	H25	115.4°	90.0°
O4B	CEB	O3B	H26	0.0°	90.0°
O3B	CEB	CDB	H24	177.9°	90.0°
O3B	CEB	CDB	H25	64.1°	90.0°
C3A	C2A	CDA	CEA	80.3°	90.0°
C2A	C3A	CAA	CBA	104.7°	90.0°
C2A	C3A	CAA	H11	14.7°	90.0°
C2A	C3A	CAA	H12	135.9°	90.0°
C3A	C2A	CDA	H16	160.5°	90.0°
C3A	C2A	CDA	H17	39.0°	90.0°
CDA	C2A	C3A	CAA	1.1°	90.0°
C2A	CDA	CEA	O3A	90.8°	90.0°
C2A	CDA	CEA	H16	119.3°	90.0°
C2A	CDA	CEA	H17	119.3°	90.0°
C2A	CDA	CEA	O4A	87.6°	90.0°
C2A	CDA	H16	H17	122.0°	90.0°
C3A	CAA	CBA	H11	119.4°	90.0°
C3A	CAA	CBA	H12	119.4°	90.0°
C3A	CAA	CBA	CCA	172.8°	90.0°
C3A	CAA	H11	H12	121.7°	90.0°
C3A	CAA	CBA	H13	53.4°	90.0°
C3A	CAA	CBA	H14	67.8°	90.0°
O3A	CEA	CDA	O4A	178.4°	90.0°
O3A	CEA	CDA	H16	28.5°	90.0°
O3A	CEA	CDA	H17	149.9°	90.0°
O3A	CEA	O4A	H18	0.0°	90.0°
CEA	CDA	H16	H17	122.0°	90.0°
CDA	CEA	O4A	H18	178.2°	90.0°
CAA	CBA	CCA	H13	119.4°	90.0°
CAA	CBA	CCA	H14	119.4°	90.0°
CAA	CBA	CCA	O2A	138.1°	90.0°
CAA	CBA	CCA	O1A	41.7°	90.0°
CBA	CAA	H11	H12	121.7°	90.0°
CAA	CBA	H13	H14	121.7°	90.0°
CBA	CCA	O2A	O1A	179.8°	90.0°
CCA	CBA	CAA	H11	67.8°	90.0°
CCA	CBA	CAA	H12	53.4°	90.0°
CCA	CBA	H13	H14	121.7°	90.0°
CBA	CCA	O1A	H15	179.8°	90.0°
O4A	CEA	CDA	H16	153.1°	90.0°
O4A	CEA	CDA	H17	31.7°	90.0°
O2A	CCA	CBA	H13	18.6°	90.0°
O2A	CCA	CBA	H14	102.5°	90.0°
O2A	CCA	O1A	H15	0.0°	90.0°
O1A	CCA	CBA	H13	161.1°	90.0°
O1A	CCA	CBA	H14	77.7°	90.0°
H4	CAD	CBD	H6	70.5°	90.0°
H4	CAD	CBD	H7	169.3°	90.0°
H5	CAD	CBD	H6	49.2°	90.0°
H5	CAD	CBD	H7	71.0°	90.0°
H11	CAA	CBA	H13	172.8°	90.0°
H11	CAA	CBA	H14	51.6°	90.0°
H12	CAA	CBA	H13	66.0°	90.0°
H12	CAA	CBA	H14	172.8°	90.0°
H19	CAB	CBB	H21	79.7°	90.0°
H19	CAB	CBB	H22	161.7°	90.0°
H20	CAB	CBB	H21	40.4°	90.0°
H20	CAB	CBB	H22	78.2°	90.0°
H32	CAC	CBC	H34	163.2°	90.0°
H32	CAC	CBC	H35	42.2°	90.0°
H33	CAC	CBC	H34	77.9°	90.0°
H33	CAC	CBC	H35	161.1°	90.0°

Release date:	2014-07-30
Definition date:	2014-04-17
Last modified:	2014-07-25
Release status:	REL
Processing site:	EBI
Derived from:	4CZC