PRD_000452

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S	C8	sing	1.76Å	1.83Å
S	O1	doub	1.42Å	1.53Å
S	N1	sing	1.66Å	1.67Å
O2	S	doub	1.42Å	1.49Å
C1	C2	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C2	C10	sing	1.53Å	1.49Å
C2	H2	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.50Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	C3	sing	1.51Å	1.52Å
C5	C4	sing	1.39Å	1.37Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C5	doub	1.38Å	1.37Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C6	sing	1.38Å	1.36Å	Aromatic
C7	C8	doub	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.40Å	1.36Å	Aromatic
C9	C4	doub	1.38Å	1.38Å	Aromatic
C9	N	sing	1.39Å	1.34Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
N	C1	sing	1.46Å	1.46Å
N1	CA	sing	1.46Å	1.45Å
N1	H	sing	0.97Å	1.00Å
CA	C	sing	1.51Å	1.52Å
CA	CB	sing	1.53Å	1.52Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.22Å
C	N2	sing	1.35Å	1.34Å
CB	CG	sing	1.53Å	1.47Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CG	CD	sing	1.53Å	1.51Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.10Å
CD	NE	sing	1.47Å	1.45Å
CD	HD2	sing	1.09Å	1.10Å
CD	HD3	sing	1.09Å	1.10Å
NE	CZ	sing	1.37Å	1.34Å
NE	HE	sing	0.97Å	1.00Å
CZ	NH1	sing	1.33Å	1.34Å
CZ	NH2	doub	1.33Å	1.33Å
NH1	HH11	sing	0.97Å	1.00Å
NH1	HH12	sing	0.97Å	1.00Å
NH2	HH21	sing	0.97Å	1.00Å
NH2	HH22	sing	0.97Å	1.00Å
N2	C11	sing	1.47Å	1.46Å
N2	C51	sing	1.47Å	1.47Å
C11	C21	sing	1.53Å	1.57Å
C11	C61	sing	1.51Å	1.54Å
C11	H11	sing	1.09Å	1.10Å
C21	C31	sing	1.53Å	1.49Å
C21	H21	sing	1.09Å	1.10Å
C21	H22	sing	1.09Å	1.10Å
C31	C41	sing	1.53Å	1.52Å
C31	C71	sing	1.53Å	1.52Å
C31	H31	sing	1.09Å	1.10Å
C41	C51	sing	1.53Å	1.54Å
C41	H41	sing	1.09Å	1.10Å
C41	H42	sing	1.09Å	1.10Å
C51	H51	sing	1.09Å	1.10Å
C51	H52	sing	1.09Å	1.10Å
C61	O11	doub	1.21Å	1.23Å
C61	O21	sing	1.34Å	1.24Å
O21	HO21	sing	0.97Å	0.95Å
C71	H71	sing	1.09Å	1.10Å
C71	H72	sing	1.09Å	1.10Å
C71	H73	sing	1.09Å	1.10Å
HN	N	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	S	O1	111.6°	106.4°
C8	S	N1	120.7°	107.2°
C8	S	O2	108.9°	106.4°
S	C8	C7	120.0°	119.8°
S	C8	C9	114.1°	119.8°
O1	S	N1	105.8°	106.4°
O1	S	O2	108.2°	123.1°
N1	S	O2	100.6°	106.4°
S	N1	CA	112.9°	120.0°
S	N1	H	108.6°	120.0°
C2	C1	H1	109.3°	109.7°
C2	C1	H1A	109.3°	109.6°
C1	C2	C10	112.1°	109.8°
C1	C2	H2	108.3°	109.8°
C1	C2	C3	112.3°	108.0°
C2	C1	N	110.1°	108.6°
H1	C1	H1A	109.5°	109.6°
H1	C1	N	109.3°	109.6°
H1A	C1	N	109.3°	109.7°
C10	C2	H2	108.7°	109.7°
C10	C2	C3	106.8°	109.8°
C2	C10	H10	109.5°	109.5°
C2	C10	H10A	109.5°	109.5°
C2	C10	H10B	109.5°	109.5°
H2	C2	C3	108.5°	109.8°
C2	C3	H3	109.8°	109.4°
C2	C3	H3A	109.8°	109.4°
C2	C3	C4	108.1°	109.6°
H3	C3	H3A	109.5°	109.5°
H3	C3	C4	109.8°	109.5°
H3A	C3	C4	109.8°	109.4°
C3	C4	C5	116.7°	118.1°
C3	C4	C9	118.7°	122.0°
C4	C5	H5	120.2°	119.7°
C4	C5	C6	119.7°	120.5°
C5	C4	C9	124.3°	119.9°
H5	C5	C6	120.2°	119.8°
C5	C6	H6	121.1°	120.0°
C5	C6	C7	117.8°	119.9°
H6	C6	C7	121.1°	120.1°
C6	C7	C8	119.7°	119.9°
C6	C7	H7	120.1°	120.0°
C8	C7	H7	120.2°	120.0°
C7	C8	C9	123.4°	120.5°
C8	C9	C4	113.5°	119.4°
C8	C9	N	120.7°	117.7°
C4	C9	N	125.1°	122.9°
C9	N	C1	116.2°	113.2°
C9	N	HN	107.8°	111.0°
H10	C10	H10A	109.5°	109.4°
H10	C10	H10B	109.5°	109.5°
H10A	C10	H10B	109.5°	109.4°
C1	N	HN	107.7°	111.0°
CA	N1	H	108.6°	120.0°
N1	CA	C	109.5°	109.5°
N1	CA	CB	110.6°	109.5°
N1	CA	HA	109.0°	109.5°
C	CA	CB	111.8°	109.5°
C	CA	HA	107.9°	109.4°
CA	C	O	116.5°	120.0°
CA	C	N2	123.6°	120.0°
CB	CA	HA	107.9°	109.5°
CA	CB	CG	115.3°	109.5°
CA	CB	HB2	108.0°	109.5°
CA	CB	HB3	108.0°	109.5°
O	C	N2	119.5°	120.0°
C	N2	C11	121.9°	120.6°
C	N2	C51	123.4°	120.7°
CG	CB	HB2	108.0°	109.5°
CG	CB	HB3	108.0°	109.5°
CB	CG	CD	109.2°	109.5°
CB	CG	HG2	109.6°	109.5°
CB	CG	HG3	109.6°	109.5°
HB2	CB	HB3	109.4°	109.4°
CD	CG	HG2	109.5°	109.5°
CD	CG	HG3	109.5°	109.4°
CG	CD	NE	105.3°	109.5°
CG	CD	HD2	110.5°	109.5°
CG	CD	HD3	110.5°	109.5°
HG2	CG	HG3	109.4°	109.5°
NE	CD	HD2	110.5°	109.4°
NE	CD	HD3	110.5°	109.5°
CD	NE	CZ	123.4°	120.0°
CD	NE	HE	118.3°	120.0°
HD2	CD	HD3	109.5°	109.5°
CZ	NE	HE	118.3°	120.0°
NE	CZ	NH1	122.3°	120.0°
NE	CZ	NH2	117.7°	120.0°
NH1	CZ	NH2	119.9°	120.0°
CZ	NH1	HH11	120.0°	120.0°
CZ	NH1	HH12	120.0°	120.0°
CZ	NH2	HH21	120.0°	120.1°
CZ	NH2	HH22	120.0°	120.0°
HH11	NH1	HH12	120.0°	120.1°
HH21	NH2	HH22	120.0°	119.9°
C11	N2	C51	114.4°	118.7°
N2	C11	C21	108.1°	108.8°
N2	C11	C61	114.2°	109.6°
N2	C11	H11	107.8°	109.6°
N2	C51	C41	110.7°	109.0°
N2	C51	H51	109.2°	109.6°
N2	C51	H52	109.2°	109.6°
C21	C11	C61	113.0°	109.6°
C21	C11	H11	106.5°	109.6°
C11	C21	C31	119.4°	109.4°
C11	C21	H21	106.9°	109.5°
C11	C21	H22	107.0°	109.5°
C61	C11	H11	106.9°	109.7°
C11	C61	O11	117.3°	120.0°
C11	C61	O21	120.7°	120.0°
C31	C21	H21	106.9°	109.5°
C31	C21	H22	106.9°	109.5°
C21	C31	C41	102.8°	109.5°
C21	C31	C71	109.9°	109.4°
C21	C31	H31	110.3°	109.5°
H21	C21	H22	109.5°	109.4°
C41	C31	C71	113.9°	109.5°
C41	C31	H31	109.8°	109.4°
C31	C41	C51	110.8°	109.4°
C31	C41	H41	109.2°	109.5°
C31	C41	H42	109.2°	109.5°
C71	C31	H31	109.9°	109.5°
C31	C71	H71	109.5°	109.5°
C31	C71	H72	109.4°	109.5°
C31	C71	H73	109.5°	109.5°
C51	C41	H41	109.1°	109.5°
C51	C41	H42	109.1°	109.3°
C41	C51	H51	109.1°	109.5°
C41	C51	H52	109.2°	109.5°
H41	C41	H42	109.5°	109.6°
H51	C51	H52	109.5°	109.8°
O11	C61	O21	121.8°	120.0°
C61	O21	HO21	109.5°	117.0°
H71	C71	H72	109.5°	109.5°
H71	C71	H73	109.4°	109.4°
H72	C71	H73	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	S	O1	N1	133.0°	114.1°
C8	S	O1	O2	119.8°	122.9°
C8	S	N1	O2	119.6°	113.5°
S	C8	C7	C6	176.7°	180.0°
S	C8	C7	C9	161.2°	179.9°
S	C8	C7	H7	3.3°	0.1°
S	C8	C9	C4	170.0°	179.7°
S	C8	C9	N	19.0°	0.8°
C8	S	N1	CA	53.9°	72.2°
C8	S	N1	H	174.4°	107.8°
O1	S	N1	O2	112.6°	132.9°
O1	S	C8	C7	134.3°	139.2°
O1	S	C8	C9	62.9°	40.7°
O1	S	N1	CA	178.3°	41.4°
O1	S	N1	H	57.8°	138.6°
N1	S	C8	C7	100.6°	107.2°
N1	S	C8	C9	62.3°	72.9°
S	N1	CA	H	120.5°	180.0°
S	N1	CA	C	89.1°	140.2°
S	N1	CA	CB	147.2°	99.8°
S	N1	CA	HA	28.7°	20.2°
O2	S	C8	C7	14.9°	6.3°
O2	S	C8	C9	177.7°	173.6°
O2	S	N1	CA	65.8°	174.3°
O2	S	N1	H	54.8°	5.7°
C2	C1	H1	H1A	119.7°	120.3°
C2	C1	H1	N	120.6°	119.2°
C2	C1	H1A	N	120.6°	119.2°
C1	C2	C10	H2	119.7°	120.7°
C1	C2	C10	C3	123.4°	118.5°
C1	C2	H2	C3	122.2°	118.6°
C1	C2	C3	H3	68.1°	72.7°
C1	C2	C3	H3A	171.5°	167.3°
C1	C2	C3	C4	51.7°	47.3°
C2	C1	N	C9	41.8°	53.4°
C1	C2	C10	H10	180.0°	60.0°
C1	C2	C10	H10A	60.0°	180.0°
C1	C2	C10	H10B	60.0°	60.1°
C2	C1	N	HN	162.8°	178.9°
H1	C1	H1A	N	119.7°	120.4°
H1	C1	C2	C10	61.5°	52.4°
H1	C1	C2	H2	58.4°	68.3°
H1	C1	C2	C3	178.2°	172.0°
H1	C1	N	C9	161.9°	173.2°
H1	C1	N	HN	77.1°	61.3°
H1A	C1	C2	C10	58.3°	68.0°
H1A	C1	C2	H2	178.2°	171.3°
H1A	C1	C2	C3	62.0°	51.6°
H1A	C1	N	C9	78.3°	66.4°
H1A	C1	N	HN	42.7°	59.2°
C10	C2	H2	C3	115.8°	120.7°
C10	C2	C3	H3	55.2°	46.9°
C10	C2	C3	H3A	65.2°	73.1°
C10	C2	C3	C4	175.0°	167.0°
C2	C10	H10	H10A	120.0°	120.0°
C2	C10	H10	H10B	120.0°	120.1°
C2	C10	H10A	H10B	120.0°	120.0°
C10	C2	C1	N	178.4°	172.2°
H2	C2	C3	H3	172.2°	167.6°
H2	C2	C3	H3A	51.8°	47.7°
H2	C2	C3	C4	68.0°	72.3°
H2	C2	C10	H10	60.3°	60.7°
H2	C2	C10	H10A	179.7°	59.3°
H2	C2	C10	H10B	59.7°	179.2°
H2	C2	C1	N	61.7°	51.5°
C2	C3	H3	H3A	120.6°	119.9°
C2	C3	H3	C4	118.7°	120.2°
C2	C3	H3A	C4	118.7°	120.1°
C2	C3	C4	C5	154.7°	164.3°
C2	C3	C4	C9	32.0°	15.8°
C3	C2	C10	H10	56.6°	178.5°
C3	C2	C10	H10A	63.4°	61.5°
C3	C2	C10	H10B	176.6°	58.5°
C3	C2	C1	N	58.2°	68.2°
H3	C3	H3A	C4	120.6°	119.9°
H3	C3	C4	C5	85.5°	75.6°
H3	C3	C4	C9	87.8°	104.3°
H3A	C3	C4	C5	34.9°	44.3°
H3A	C3	C4	C9	151.8°	135.8°
C3	C4	C5	C9	172.8°	179.9°
C3	C4	C5	H5	12.2°	0.3°
C3	C4	C5	C6	167.8°	179.7°
C3	C4	C9	C8	170.3°	179.6°
C3	C4	C9	N	19.1°	0.9°
C4	C5	H5	C6	180.0°	180.0°
C4	C5	C6	H6	177.5°	180.0°
C4	C5	C6	C7	2.5°	0.0°
C5	C4	C9	C8	2.4°	0.3°
C5	C4	C9	N	168.2°	179.2°
H5	C5	C6	H6	2.4°	0.0°
H5	C5	C6	C7	177.5°	180.0°
H5	C5	C4	C9	175.0°	179.8°
C5	C6	H6	C7	180.0°	180.0°
C5	C6	C7	C8	12.1°	0.2°
C5	C6	C7	H7	167.9°	179.9°
C6	C5	C4	C9	5.0°	0.2°
H6	C6	C7	C8	168.0°	179.8°
H6	C6	C7	H7	12.0°	0.1°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	15.5°	0.1°
C7	C8	C9	C4	7.8°	0.2°
C7	C8	C9	N	178.8°	179.3°
H7	C7	C8	C9	164.5°	180.0°
C8	C9	C4	N	170.6°	179.5°
C8	C9	N	C1	166.1°	160.2°
C8	C9	N	HN	45.2°	34.6°
C4	C9	N	C1	24.0°	20.3°
C4	C9	N	HN	144.9°	145.9°
C9	N	C1	HN	121.0°	125.5°
H10	C10	H10A	H10B	120.0°	120.0°
N1	CA	C	CB	122.9°	120.0°
N1	CA	C	HA	118.5°	120.0°
N1	CA	CB	HA	119.1°	120.0°
N1	CA	C	O	17.3°	11.9°
N1	CA	C	N2	155.5°	168.1°
N1	CA	CB	CG	36.7°	62.5°
N1	CA	CB	HB2	157.6°	57.5°
N1	CA	CB	HB3	84.2°	177.4°
H	N1	CA	C	150.3°	39.8°
H	N1	CA	CB	26.7°	80.2°
H	N1	CA	HA	91.8°	159.8°
C	CA	CB	HA	118.6°	120.0°
CA	C	O	N2	173.1°	180.0°
C	CA	CB	CG	85.6°	177.5°
C	CA	CB	HB2	35.2°	62.5°
C	CA	CB	HB3	153.5°	57.4°
CA	C	N2	C11	5.1°	175.6°
CA	C	N2	C51	178.2°	4.1°
CB	CA	C	O	105.6°	108.1°
CB	CA	C	N2	81.6°	71.9°
CA	CB	CG	HB2	120.9°	120.0°
CA	CB	CG	HB3	120.9°	120.0°
CA	CB	HB2	HB3	117.3°	120.0°
CA	CB	CG	CD	167.9°	174.7°
CA	CB	CG	HG2	72.1°	54.7°
CA	CB	CG	HG3	48.0°	65.3°
HA	CA	C	O	135.8°	131.9°
HA	CA	C	N2	37.0°	48.1°
HA	CA	CB	CG	155.8°	57.5°
HA	CA	CB	HB2	83.3°	177.5°
HA	CA	CB	HB3	34.9°	62.5°
O	C	N2	C11	167.5°	4.4°
O	C	N2	C51	5.7°	175.9°
C	N2	C11	C51	173.7°	179.7°
C	N2	C11	C21	126.8°	126.4°
C	N2	C11	C61	106.4°	6.6°
C	N2	C11	H11	12.1°	113.8°
C	N2	C51	C41	117.4°	126.4°
C	N2	C51	H51	122.4°	6.6°
C	N2	C51	H52	2.8°	113.9°
CG	CB	HB2	HB3	117.4°	120.0°
CB	CG	CD	HG2	120.0°	120.0°
CB	CG	CD	HG3	120.0°	120.0°
CB	CG	HG2	HG3	120.2°	120.0°
CB	CG	CD	NE	179.2°	180.0°
CB	CG	CD	HD2	59.8°	60.0°
CB	CG	CD	HD3	61.5°	60.0°
HB2	CB	CG	CD	47.1°	65.2°
HB2	CB	CG	HG2	167.0°	174.7°
HB2	CB	CG	HG3	72.9°	54.7°
HB3	CB	CG	CD	71.2°	54.7°
HB3	CB	CG	HG2	48.8°	65.3°
HB3	CB	CG	HG3	168.8°	174.7°
CD	CG	HG2	HG3	120.1°	120.0°
CG	CD	NE	HD2	119.3°	120.0°
CG	CD	NE	HD3	119.4°	120.0°
CG	CD	HD2	HD3	121.9°	120.1°
CG	CD	NE	CZ	87.0°	180.0°
CG	CD	NE	HE	93.0°	0.0°
HG2	CG	CD	NE	60.8°	60.0°
HG2	CG	CD	HD2	179.8°	180.0°
HG2	CG	CD	HD3	58.5°	60.0°
HG3	CG	CD	NE	59.2°	60.0°
HG3	CG	CD	HD2	60.1°	60.0°
HG3	CG	CD	HD3	178.5°	180.0°
NE	CD	HD2	HD3	121.9°	120.0°
CD	NE	CZ	HE	180.0°	180.0°
CD	NE	CZ	NH1	15.7°	0.0°
CD	NE	CZ	NH2	166.7°	180.0°
HD2	CD	NE	CZ	32.4°	60.0°
HD2	CD	NE	HE	147.6°	120.0°
HD3	CD	NE	CZ	153.6°	60.0°
HD3	CD	NE	HE	26.3°	120.0°
NE	CZ	NH1	NH2	177.6°	180.0°
NE	CZ	NH1	HH11	177.6°	0.0°
NE	CZ	NH1	HH12	2.4°	180.0°
NE	CZ	NH2	HH21	177.7°	180.0°
NE	CZ	NH2	HH22	2.3°	0.0°
HE	NE	CZ	NH1	164.3°	180.0°
HE	NE	CZ	NH2	13.3°	0.0°
CZ	NH1	HH11	HH12	180.0°	180.0°
NH1	CZ	NH2	HH21	0.0°	0.0°
NH1	CZ	NH2	HH22	180.0°	180.0°
NH2	CZ	NH1	HH11	0.0°	179.9°
NH2	CZ	NH1	HH12	180.0°	0.0°
CZ	NH2	HH21	HH22	180.0°	180.0°
N2	C11	C21	C61	127.4°	119.8°
N2	C11	C21	H11	115.6°	119.8°
N2	C11	C61	H11	119.1°	120.3°
N2	C11	C21	C31	50.8°	54.6°
N2	C11	C21	H21	70.6°	174.7°
N2	C11	C21	H22	172.2°	65.4°
C11	N2	C51	C41	56.2°	53.3°
C11	N2	C51	H51	63.9°	173.1°
C11	N2	C51	H52	176.4°	66.4°
N2	C11	C61	O11	161.3°	48.9°
N2	C11	C61	O21	22.7°	131.1°
C51	N2	C11	C21	46.9°	53.3°
C51	N2	C11	C61	79.8°	173.1°
C51	N2	C11	H11	161.6°	66.5°
N2	C51	C41	C31	63.4°	54.4°
N2	C51	C41	H51	120.2°	119.8°
N2	C51	C41	H52	120.2°	119.8°
N2	C51	C41	H41	56.8°	174.4°
N2	C51	C41	H42	176.4°	65.5°
N2	C51	H51	H52	119.5°	120.4°
C21	C11	C61	H11	116.8°	120.4°
C11	C21	C31	H21	121.4°	120.0°
C11	C21	C31	H22	121.4°	120.0°
C11	C21	H21	H22	115.6°	120.1°
C11	C21	C31	C41	56.5°	61.4°
C11	C21	C31	C71	178.1°	58.6°
C11	C21	C31	H31	60.6°	178.6°
C21	C11	C61	O11	37.1°	70.4°
C21	C11	C61	O21	146.9°	109.6°
C61	C11	C21	C31	76.6°	174.4°
C61	C11	C21	H21	162.0°	65.6°
C61	C11	C21	H22	44.8°	54.4°
C11	C61	O11	O21	176.0°	180.0°
C11	C61	O21	HO21	175.9°	180.0°
H11	C11	C21	C31	166.4°	65.2°
H11	C11	C21	H21	45.0°	54.9°
H11	C11	C21	H22	72.2°	174.9°
H11	C11	C61	O11	79.7°	169.2°
H11	C11	C61	O21	96.3°	10.8°
C31	C21	H21	H22	115.5°	120.0°
C21	C31	C41	C71	118.8°	120.0°
C21	C31	C41	H31	117.5°	120.1°
C21	C31	C71	H31	121.6°	120.0°
C21	C31	C41	C51	59.8°	61.2°
C21	C31	C41	H41	60.3°	178.8°
C21	C31	C41	H42	180.0°	58.6°
C21	C31	C71	H71	180.0°	60.0°
C21	C31	C71	H72	60.0°	180.0°
C21	C31	C71	H73	60.0°	60.0°
H21	C21	C31	C41	64.9°	178.6°
H21	C21	C31	C71	56.7°	61.4°
H21	C21	C31	H31	178.0°	58.6°
H22	C21	C31	C41	177.9°	58.6°
H22	C21	C31	C71	60.5°	178.6°
H22	C21	C31	H31	60.8°	61.4°
C41	C31	C71	H31	123.7°	119.9°
C31	C41	C51	H41	120.2°	120.0°
C31	C41	C51	H42	120.2°	119.9°
C31	C41	H41	H42	119.4°	120.1°
C31	C41	C51	H51	56.8°	174.3°
C31	C41	C51	H52	176.4°	65.4°
C41	C31	C71	H71	65.3°	179.9°
C41	C31	C71	H72	54.7°	59.9°
C41	C31	C71	H73	174.7°	60.1°
C71	C31	C41	C51	178.7°	58.7°
C71	C31	C41	H41	58.5°	61.2°
C71	C31	C41	H42	61.1°	178.5°
C31	C71	H71	H72	120.0°	120.0°
C31	C71	H71	H73	120.0°	120.0°
C31	C71	H72	H73	120.0°	120.0°
H31	C31	C41	C51	57.6°	178.7°
H31	C31	C41	H41	177.8°	58.7°
H31	C31	C41	H42	62.6°	61.5°
H31	C31	C71	H71	58.4°	60.0°
H31	C31	C71	H72	178.4°	60.0°
H31	C31	C71	H73	61.6°	180.0°
C51	C41	H41	H42	119.4°	119.9°
C41	C51	H51	H52	119.4°	120.2°
H41	C41	C51	H51	176.9°	65.8°
H41	C41	C51	H52	63.4°	54.6°
H42	C41	C51	H51	63.5°	54.4°
H42	C41	C51	H52	56.2°	174.7°
O11	C61	O21	HO21	0.0°	0.1°
H71	C71	H72	H73	120.0°	119.9°

Release date:	2012-12-12
Last modified:	2023-09-20
Processing site:	PDBE
Sub-components:	34T ARG MCP