RUN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1'	O1'	doub	1.21Å	1.25Å
C1'	C2D	sing	1.51Å	1.53Å
C1'	C5'	sing	1.41Å	1.39Å
C2D	C3'	sing	1.53Å	1.52Å
C2D	C4D	sing	1.53Å	1.53Å
C2D	H2'	sing	1.09Å	1.12Å
C3'	H3'1	sing	1.09Å	1.12Å
C3'	H3'2	sing	1.09Å	1.11Å
C3'	H3'3	sing	1.09Å	1.12Å
C4D	H4'1	sing	1.09Å	1.12Å
C4D	H4'2	sing	1.09Å	1.11Å
C4D	H4'3	sing	1.09Å	1.11Å
N1'	C2'	sing	1.34Å	1.33Å	Aromatic
N1'	C5'	sing	1.38Å	1.33Å	Aromatic
N1'	HN1	sing	0.97Å	1.02Å
C2'	N3'	doub	1.31Å	1.33Å	Aromatic
C2'	C1	sing	1.51Å	1.53Å
N3'	C4'	sing	1.33Å	1.31Å	Aromatic
C4'	C5'	doub	1.38Å	1.38Å	Aromatic
C4'	H4'	sing	1.08Å	1.10Å
C1	C2	sing	1.53Å	1.50Å
C1	CA	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.50Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	N5	sing	1.46Å	1.47Å
C4	CB	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.12Å
N5	C6	sing	1.35Å	1.34Å
N5	HN5	sing	0.97Å	1.02Å
C6	O6	doub	1.21Å	1.24Å
C6	C7	sing	1.51Å	1.53Å
C7	N8	sing	1.46Å	1.45Å
C7	C10	sing	1.53Å	1.56Å
C7	H7	sing	1.09Å	1.11Å
N8	C9	sing	1.35Å	1.33Å
N8	HN8	sing	0.97Å	1.02Å
C9	O9	doub	1.22Å	1.24Å
C9	OC	sing	1.35Å	1.40Å
C10	C11	sing	1.53Å	1.52Å
C10	C12	sing	1.53Å	1.52Å
C10	H10	sing	1.09Å	1.11Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
C11	H113	sing	1.09Å	1.12Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
C12	H123	sing	1.09Å	1.12Å
CA	C1A	sing	1.51Å	1.50Å
CA	HA1	sing	1.09Å	1.11Å
CA	HA2	sing	1.09Å	1.12Å
C1A	C2A	doub	1.38Å	1.40Å	Aromatic
C1A	C6A	sing	1.38Å	1.40Å	Aromatic
C2A	C3A	sing	1.38Å	1.39Å	Aromatic
C2A	H2A	sing	1.08Å	1.10Å
C3A	C4A	doub	1.38Å	1.39Å	Aromatic
C3A	H3A	sing	1.08Å	1.10Å
C4A	C5A	sing	1.38Å	1.40Å	Aromatic
C4A	H4A	sing	1.08Å	1.10Å
C5A	C6A	doub	1.38Å	1.38Å	Aromatic
C5A	H5A	sing	1.08Å	1.10Å
C6A	H6A	sing	1.08Å	1.10Å
CB	C1B	sing	1.51Å	1.51Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
C1B	C2B	doub	1.38Å	1.40Å	Aromatic
C1B	C6B	sing	1.38Å	1.39Å	Aromatic
C2B	C3B	sing	1.38Å	1.39Å	Aromatic
C2B	H2B	sing	1.08Å	1.10Å
C3B	C4B	doub	1.38Å	1.39Å	Aromatic
C3B	H3B	sing	1.08Å	1.10Å
C4B	C5B	sing	1.38Å	1.40Å	Aromatic
C4B	H4B	sing	1.08Å	1.10Å
C5B	C6B	doub	1.38Å	1.39Å	Aromatic
C5B	H5B	sing	1.08Å	1.10Å
C6B	H6B	sing	1.08Å	1.10Å
OC	CC	sing	1.45Å	1.43Å
CC	C1C	sing	1.51Å	1.53Å
CC	HC1	sing	1.09Å	1.11Å
CC	HC2	sing	1.09Å	1.12Å
C1C	C2C	doub	1.38Å	1.39Å	Aromatic
C1C	C6C	sing	1.38Å	1.39Å	Aromatic
C2C	C3C	sing	1.38Å	1.40Å	Aromatic
C2C	H2C	sing	1.08Å	1.10Å
C3C	C4C	doub	1.38Å	1.40Å	Aromatic
C3C	H3C	sing	1.08Å	1.10Å
C4C	C5C	sing	1.38Å	1.39Å	Aromatic
C4C	H4C	sing	1.08Å	1.10Å
C5C	C6C	doub	1.38Å	1.40Å	Aromatic
C5C	H5C	sing	1.08Å	1.10Å
C6C	H6C	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1'	C1'	C2D	121.0°	119.9°
O1'	C1'	C5'	117.8°	120.0°
C2D	C1'	C5'	121.2°	120.0°
C1'	C2D	C3'	110.6°	109.5°
C1'	C2D	C4D	106.7°	109.5°
C1'	C2D	H2'	111.7°	109.4°
C1'	C5'	N1'	118.5°	127.0°
C1'	C5'	C4'	129.4°	126.9°
C3'	C2D	C4D	112.7°	109.5°
C3'	C2D	H2'	105.6°	109.5°
C2D	C3'	H3'1	110.6°	109.5°
C2D	C3'	H3'2	111.8°	109.5°
C2D	C3'	H3'3	111.8°	109.5°
C4D	C2D	H2'	109.5°	109.5°
C2D	C4D	H4'1	106.7°	109.5°
C2D	C4D	H4'2	113.2°	109.5°
C2D	C4D	H4'3	113.2°	109.5°
H3'1	C3'	H3'2	111.8°	109.5°
H3'1	C3'	H3'3	111.8°	109.5°
H3'2	C3'	H3'3	98.6°	109.5°
H4'1	C4D	H4'2	113.2°	109.4°
H4'1	C4D	H4'3	113.3°	109.5°
H4'2	C4D	H4'3	97.3°	109.5°
C2'	N1'	C5'	99.0°	107.1°
C2'	N1'	HN1	130.5°	126.5°
N1'	C2'	N3'	118.6°	109.5°
N1'	C2'	C1	117.9°	125.3°
C5'	N1'	HN1	130.5°	126.4°
N1'	C5'	C4'	112.1°	106.1°
N3'	C2'	C1	123.4°	125.2°
C2'	N3'	C4'	102.5°	109.8°
C2'	C1	C2	112.5°	109.5°
C2'	C1	CA	112.9°	109.5°
C2'	C1	H1	103.7°	109.5°
N3'	C4'	C5'	107.7°	107.5°
N3'	C4'	H4'	124.0°	126.2°
C5'	C4'	H4'	128.3°	126.3°
C2	C1	CA	105.3°	109.5°
C2	C1	H1	111.5°	109.4°
C1	C2	C3	119.3°	109.5°
C1	C2	H21	108.7°	109.5°
C1	C2	H22	108.7°	109.4°
CA	C1	H1	111.1°	109.4°
C1	CA	C1A	110.1°	109.5°
C1	CA	HA1	112.0°	109.5°
C1	CA	HA2	112.0°	109.4°
C3	C2	H21	108.7°	109.5°
C3	C2	H22	108.7°	109.5°
C2	C3	O3	110.1°	109.5°
C2	C3	C4	108.0°	109.5°
C2	C3	H3	109.4°	109.5°
H21	C2	H22	101.3°	109.4°
O3	C3	C4	107.5°	109.5°
O3	C3	H3	109.9°	109.5°
C3	O3	HO3	110.1°	106.8°
C4	C3	H3	111.9°	109.5°
C3	C4	N5	112.0°	109.5°
C3	C4	CB	107.4°	109.5°
C3	C4	H4	109.8°	109.5°
N5	C4	CB	111.3°	109.5°
N5	C4	H4	105.8°	109.5°
C4	N5	C6	123.5°	120.0°
C4	N5	HN5	123.3°	120.0°
CB	C4	H4	110.5°	109.4°
C4	CB	C1B	110.8°	109.5°
C4	CB	HB1	111.7°	109.5°
C4	CB	HB2	111.7°	109.5°
C6	N5	HN5	113.2°	120.0°
N5	C6	O6	121.5°	120.0°
N5	C6	C7	115.3°	120.0°
O6	C6	C7	123.3°	120.0°
C6	C7	N8	112.9°	109.5°
C6	C7	C10	111.2°	109.5°
C6	C7	H7	105.8°	109.5°
N8	C7	C10	109.2°	109.5°
N8	C7	H7	107.8°	109.5°
C7	N8	C9	121.2°	120.1°
C7	N8	HN8	123.5°	120.0°
C10	C7	H7	109.8°	109.4°
C7	C10	C11	116.7°	109.5°
C7	C10	C12	110.6°	109.4°
C7	C10	H10	103.2°	109.6°
C9	N8	HN8	115.3°	119.9°
N8	C9	O9	120.3°	119.9°
N8	C9	OC	123.5°	120.0°
O9	C9	OC	116.2°	120.0°
C9	OC	CC	123.6°	120.0°
C11	C10	C12	108.6°	109.4°
C11	C10	H10	105.4°	109.5°
C10	C11	H111	116.8°	109.6°
C10	C11	H112	109.6°	109.4°
C10	C11	H113	109.6°	109.6°
C12	C10	H10	112.3°	109.4°
C10	C12	H121	110.6°	109.4°
C10	C12	H122	111.8°	109.5°
C10	C12	H123	111.8°	109.5°
H111	C11	H112	109.5°	109.4°
H111	C11	H113	109.6°	109.5°
H112	C11	H113	100.6°	109.4°
H121	C12	H122	111.8°	109.4°
H121	C12	H123	111.8°	109.5°
H122	C12	H123	98.6°	109.5°
C1A	CA	HA1	112.0°	109.5°
C1A	CA	HA2	111.9°	109.5°
CA	C1A	C2A	119.6°	120.0°
CA	C1A	C6A	119.3°	120.0°
HA1	CA	HA2	98.4°	109.4°
C2A	C1A	C6A	121.1°	120.0°
C1A	C2A	C3A	119.0°	120.0°
C1A	C2A	H2A	120.9°	120.0°
C1A	C6A	C5A	119.5°	120.1°
C1A	C6A	H6A	120.9°	120.0°
C3A	C2A	H2A	120.1°	120.0°
C2A	C3A	C4A	119.8°	120.0°
C2A	C3A	H3A	119.9°	120.0°
C4A	C3A	H3A	120.3°	120.0°
C3A	C4A	C5A	121.1°	120.0°
C3A	C4A	H4A	119.3°	120.0°
C5A	C4A	H4A	119.6°	120.0°
C4A	C5A	C6A	119.5°	120.0°
C4A	C5A	H5A	120.8°	120.0°
C6A	C5A	H5A	119.8°	120.0°
C5A	C6A	H6A	119.6°	120.0°
C1B	CB	HB1	111.7°	109.4°
C1B	CB	HB2	111.7°	109.5°
CB	C1B	C2B	119.7°	120.0°
CB	C1B	C6B	119.1°	120.0°
HB1	CB	HB2	98.7°	109.5°
C2B	C1B	C6B	121.2°	120.0°
C1B	C2B	C3B	119.7°	120.0°
C1B	C2B	H2B	120.6°	120.0°
C1B	C6B	C5B	118.6°	119.9°
C1B	C6B	H6B	120.9°	120.0°
C3B	C2B	H2B	119.6°	120.0°
C2B	C3B	C4B	119.5°	120.0°
C2B	C3B	H3B	120.3°	120.0°
C4B	C3B	H3B	120.2°	120.1°
C3B	C4B	C5B	120.5°	120.0°
C3B	C4B	H4B	119.2°	120.0°
C5B	C4B	H4B	120.3°	120.0°
C4B	C5B	C6B	120.5°	120.1°
C4B	C5B	H5B	120.2°	120.0°
C6B	C5B	H5B	119.3°	120.0°
C5B	C6B	H6B	120.5°	120.1°
OC	CC	C1C	112.2°	109.5°
OC	CC	HC1	111.3°	109.5°
OC	CC	HC2	111.2°	109.4°
C1C	CC	HC1	111.2°	109.5°
C1C	CC	HC2	111.2°	109.5°
CC	C1C	C2C	120.6°	120.0°
CC	C1C	C6C	119.8°	120.0°
HC1	CC	HC2	99.1°	109.5°
C2C	C1C	C6C	119.5°	120.0°
C1C	C2C	C3C	119.8°	120.0°
C1C	C2C	H2C	119.8°	120.0°
C1C	C6C	C5C	120.5°	120.1°
C1C	C6C	H6C	119.4°	120.0°
C3C	C2C	H2C	120.4°	120.0°
C2C	C3C	C4C	120.8°	120.0°
C2C	C3C	H3C	119.7°	120.0°
C4C	C3C	H3C	119.5°	120.0°
C3C	C4C	C5C	119.0°	120.0°
C3C	C4C	H4C	120.8°	120.0°
C5C	C4C	H4C	120.3°	120.0°
C4C	C5C	C6C	120.3°	119.9°
C4C	C5C	H5C	119.5°	120.0°
C6C	C5C	H5C	120.2°	120.0°
C5C	C6C	H6C	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1'	C1'	C2D	C5'	179.9°	180.0°
O1'	C1'	C2D	C3'	54.9°	30.0°
O1'	C1'	C2D	C4D	68.0°	90.0°
O1'	C1'	C2D	H2'	172.3°	150.0°
O1'	C1'	C5'	N1'	0.4°	0.0°
O1'	C1'	C5'	C4'	179.9°	180.0°
C1'	C2D	C3'	C4D	119.3°	120.0°
C1'	C2D	C3'	H2'	121.1°	119.9°
C1'	C2D	C4D	H2'	121.1°	120.0°
C1'	C2D	C3'	H3'1	180.0°	180.0°
C1'	C2D	C3'	H3'2	54.7°	60.0°
C1'	C2D	C3'	H3'3	54.8°	60.0°
C1'	C2D	C4D	H4'1	180.0°	60.0°
C1'	C2D	C4D	H4'2	54.8°	60.0°
C1'	C2D	C4D	H4'3	54.7°	180.0°
C2D	C1'	C5'	N1'	179.5°	180.0°
C2D	C1'	C5'	C4'	0.3°	0.0°
C5'	C1'	C2D	C3'	125.2°	150.0°
C5'	C1'	C2D	C4D	111.9°	90.0°
C5'	C1'	C2D	H2'	7.8°	30.0°
C1'	C5'	N1'	C2'	179.8°	180.0°
C1'	C5'	N1'	C4'	179.8°	180.0°
C1'	C5'	N1'	HN1	0.2°	0.0°
C1'	C5'	C4'	N3'	179.9°	179.8°
C1'	C5'	C4'	H4'	0.1°	0.0°
C3'	C2D	C4D	H2'	117.3°	120.0°
C2D	C3'	H3'1	H3'2	125.3°	120.0°
C2D	C3'	H3'1	H3'3	125.2°	120.0°
C2D	C3'	H3'2	H3'3	117.7°	120.0°
C3'	C2D	C4D	H4'1	58.5°	60.0°
C3'	C2D	C4D	H4'2	176.3°	180.0°
C3'	C2D	C4D	H4'3	66.8°	60.0°
C4D	C2D	C3'	H3'1	60.7°	60.0°
C4D	C2D	C3'	H3'2	64.6°	180.0°
C4D	C2D	C3'	H3'3	174.1°	60.0°
C2D	C4D	H4'1	H4'2	125.2°	120.0°
C2D	C4D	H4'1	H4'3	125.3°	120.0°
C2D	C4D	H4'2	H4'3	119.2°	120.0°
H2'	C2D	C3'	H3'1	58.9°	60.0°
H2'	C2D	C3'	H3'2	175.8°	59.9°
H2'	C2D	C3'	H3'3	66.3°	180.0°
H2'	C2D	C4D	H4'1	58.9°	180.0°
H2'	C2D	C4D	H4'2	66.3°	60.0°
H2'	C2D	C4D	H4'3	175.9°	60.0°
H3'1	C3'	H3'2	H3'3	117.7°	120.0°
H4'1	C4D	H4'2	H4'3	119.2°	120.0°
C2'	N1'	C5'	HN1	180.0°	180.0°
N1'	C2'	N3'	C1	179.9°	179.6°
N1'	C2'	N3'	C4'	0.3°	0.4°
C2'	N1'	C5'	C4'	0.5°	0.0°
N1'	C2'	C1	C2	141.0°	150.0°
N1'	C2'	C1	CA	100.0°	89.9°
N1'	C2'	C1	H1	20.4°	30.1°
C5'	N1'	C2'	N3'	0.5°	0.3°
C5'	N1'	C2'	C1	179.5°	179.9°
N1'	C5'	C4'	N3'	0.3°	0.2°
N1'	C5'	C4'	H4'	179.7°	180.0°
HN1	N1'	C2'	N3'	179.5°	179.7°
HN1	N1'	C2'	C1	0.5°	0.1°
HN1	N1'	C5'	C4'	179.5°	180.0°
C2'	N3'	C4'	C5'	0.0°	0.4°
C2'	N3'	C4'	H4'	180.0°	179.8°
N3'	C2'	C1	C2	39.0°	30.4°
N3'	C2'	C1	CA	80.1°	89.7°
N3'	C2'	C1	H1	159.6°	150.3°
C1	C2'	N3'	C4'	179.7°	179.9°
C2'	C1	C2	CA	123.4°	120.1°
C2'	C1	C2	H1	116.0°	119.9°
C2'	C1	CA	H1	116.0°	120.0°
C2'	C1	C2	C3	63.5°	65.2°
C2'	C1	C2	H21	61.8°	174.6°
C2'	C1	C2	H22	171.2°	54.7°
C2'	C1	CA	C1A	50.9°	65.7°
C2'	C1	CA	HA1	176.3°	174.3°
C2'	C1	CA	HA2	74.3°	54.3°
N3'	C4'	C5'	H4'	180.0°	179.8°
C2	C1	CA	H1	120.9°	119.9°
C1	C2	C3	H21	125.3°	120.1°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	114.4°	119.9°
C1	C2	C3	O3	99.7°	63.1°
C1	C2	C3	C4	143.3°	176.9°
C1	C2	C3	H3	21.2°	56.8°
C2	C1	CA	C1A	174.1°	174.2°
C2	C1	CA	HA1	60.6°	54.2°
C2	C1	CA	HA2	48.8°	65.8°
CA	C1	C2	C3	173.1°	174.7°
CA	C1	C2	H21	61.7°	54.5°
CA	C1	C2	H22	47.8°	65.4°
C1	CA	C1A	HA1	125.3°	120.1°
C1	CA	C1A	HA2	125.3°	119.9°
C1	CA	HA1	HA2	117.9°	119.9°
C1	CA	C1A	C2A	112.7°	90.1°
C1	CA	C1A	C6A	64.5°	90.2°
H1	C1	C2	C3	52.5°	54.7°
H1	C1	C2	H21	177.8°	65.4°
H1	C1	C2	H22	72.8°	174.7°
H1	C1	CA	C1A	65.1°	54.3°
H1	C1	CA	HA1	60.3°	65.7°
H1	C1	CA	HA2	169.7°	174.3°
C3	C2	H21	H22	114.3°	120.0°
C2	C3	O3	C4	117.4°	120.0°
C2	C3	O3	H3	120.6°	120.0°
C2	C3	C4	H3	120.5°	120.0°
C2	C3	O3	HO3	179.9°	60.1°
C2	C3	C4	N5	76.1°	60.0°
C2	C3	C4	CB	161.4°	180.0°
C2	C3	C4	H4	41.1°	60.0°
H21	C2	C3	O3	135.1°	57.0°
H21	C2	C3	C4	18.0°	63.0°
H21	C2	C3	H3	104.0°	176.9°
H22	C2	C3	O3	25.6°	176.9°
H22	C2	C3	C4	91.4°	56.9°
H22	C2	C3	H3	146.5°	63.1°
O3	C3	C4	H3	120.8°	120.0°
O3	C3	C4	N5	42.6°	60.0°
O3	C3	C4	CB	79.8°	60.0°
O3	C3	C4	H4	159.9°	180.0°
C4	C3	O3	HO3	62.6°	60.0°
C3	C4	N5	CB	120.2°	120.0°
C3	C4	N5	H4	119.7°	120.0°
C3	C4	CB	H4	119.9°	120.0°
C3	C4	N5	C6	109.6°	150.0°
C3	C4	N5	HN5	70.4°	29.9°
C3	C4	CB	C1B	175.7°	180.0°
C3	C4	CB	HB1	50.4°	60.1°
C3	C4	CB	HB2	59.0°	59.9°
H3	C3	O3	HO3	59.5°	179.9°
H3	C3	C4	N5	163.4°	180.0°
H3	C3	C4	CB	41.0°	60.0°
H3	C3	C4	H4	79.3°	60.0°
N5	C4	CB	H4	117.3°	120.0°
C4	N5	C6	HN5	180.0°	179.9°
C4	N5	C6	O6	0.6°	5.3°
C4	N5	C6	C7	179.8°	174.6°
N5	C4	CB	C1B	52.8°	60.0°
N5	C4	CB	HB1	72.4°	60.0°
N5	C4	CB	HB2	178.1°	180.0°
CB	C4	N5	C6	130.1°	90.0°
CB	C4	N5	HN5	49.8°	90.1°
C4	CB	C1B	HB1	125.3°	120.0°
C4	CB	C1B	HB2	125.3°	120.1°
C4	CB	HB1	HB2	117.6°	120.0°
C4	CB	C1B	C2B	69.5°	90.0°
C4	CB	C1B	C6B	109.0°	90.2°
H4	C4	N5	C6	10.0°	29.9°
H4	C4	N5	HN5	169.9°	149.9°
H4	C4	CB	C1B	64.4°	60.0°
H4	C4	CB	HB1	170.3°	179.9°
H4	C4	CB	HB2	60.8°	60.0°
N5	C6	O6	C7	179.6°	180.0°
N5	C6	C7	N8	101.4°	160.3°
N5	C6	C7	C10	135.4°	79.7°
N5	C6	C7	H7	16.3°	40.3°
HN5	N5	C6	O6	179.4°	174.6°
HN5	N5	C6	C7	0.3°	5.5°
O6	C6	C7	N8	78.2°	19.7°
O6	C6	C7	C10	44.9°	100.4°
O6	C6	C7	H7	164.0°	139.7°
C6	C7	N8	C10	124.2°	120.1°
C6	C7	N8	H7	116.6°	120.0°
C6	C7	C10	H7	116.7°	120.0°
C6	C7	N8	C9	119.5°	150.0°
C6	C7	N8	HN8	60.5°	30.0°
C6	C7	C10	C11	75.1°	176.4°
C6	C7	C10	C12	160.1°	63.7°
C6	C7	C10	H10	39.9°	56.2°
N8	C7	C10	H7	118.0°	120.0°
C7	N8	C9	HN8	180.0°	180.0°
C7	N8	C9	O9	0.9°	0.0°
C7	N8	C9	OC	179.5°	180.0°
N8	C7	C10	C11	50.1°	63.6°
N8	C7	C10	C12	74.6°	56.3°
N8	C7	C10	H10	165.2°	176.3°
C10	C7	N8	C9	116.2°	89.9°
C10	C7	N8	HN8	63.8°	90.0°
C7	C10	C11	C12	125.8°	119.9°
C7	C10	C11	H10	113.8°	120.2°
C7	C10	C12	H10	114.6°	120.0°
C7	C10	C11	H111	180.0°	180.0°
C7	C10	C11	H112	54.7°	60.1°
C7	C10	C11	H113	54.7°	59.9°
C7	C10	C12	H121	180.0°	63.9°
C7	C10	C12	H122	54.7°	56.0°
C7	C10	C12	H123	54.8°	176.0°
H7	C7	N8	C9	3.0°	30.0°
H7	C7	N8	HN8	177.0°	150.1°
H7	C7	C10	C11	168.2°	56.4°
H7	C7	C10	C12	43.4°	176.3°
H7	C7	C10	H10	76.8°	63.8°
N8	C9	O9	OC	178.7°	180.0°
N8	C9	OC	CC	33.6°	180.0°
HN8	N8	C9	O9	179.1°	180.0°
HN8	N8	C9	OC	0.5°	0.0°
O9	C9	OC	CC	147.7°	0.0°
C9	OC	CC	C1C	148.1°	180.0°
C9	OC	CC	HC1	22.8°	60.0°
C9	OC	CC	HC2	86.7°	60.0°
C11	C10	C12	H10	116.1°	120.0°
C10	C11	H111	H112	125.3°	119.9°
C10	C11	H111	H113	125.3°	120.2°
C10	C11	H112	H113	115.4°	120.0°
C11	C10	C12	H121	50.7°	56.1°
C11	C10	C12	H122	176.0°	176.0°
C11	C10	C12	H123	74.5°	64.0°
C12	C10	C11	H111	54.2°	60.1°
C12	C10	C11	H112	71.0°	180.0°
C12	C10	C11	H113	179.5°	60.1°
C10	C12	H121	H122	125.3°	120.0°
C10	C12	H121	H123	125.2°	120.0°
C10	C12	H122	H123	117.7°	120.1°
H10	C10	C11	H111	66.2°	59.8°
H10	C10	C11	H112	168.5°	60.1°
H10	C10	C11	H113	59.0°	180.0°
H10	C10	C12	H121	65.4°	176.0°
H10	C10	C12	H122	59.9°	64.0°
H10	C10	C12	H123	169.4°	56.0°
H111	C11	H112	H113	115.3°	119.9°
H121	C12	H122	H123	117.7°	120.0°
C1A	CA	HA1	HA2	117.8°	120.0°
CA	C1A	C2A	C6A	177.2°	179.7°
CA	C1A	C2A	C3A	176.9°	180.0°
CA	C1A	C2A	H2A	3.1°	0.1°
CA	C1A	C6A	C5A	176.8°	179.8°
CA	C1A	C6A	H6A	3.2°	0.3°
HA1	CA	C1A	C2A	122.0°	30.0°
HA1	CA	C1A	C6A	60.8°	149.7°
HA2	CA	C1A	C2A	12.5°	150.0°
HA2	CA	C1A	C6A	170.2°	29.7°
C1A	C2A	C3A	H2A	180.0°	179.9°
C1A	C2A	C3A	C4A	0.0°	0.1°
C1A	C2A	C3A	H3A	180.0°	179.9°
C2A	C1A	C6A	C5A	0.4°	0.5°
C2A	C1A	C6A	H6A	179.6°	179.9°
C6A	C1A	C2A	C3A	0.3°	0.3°
C6A	C1A	C2A	H2A	179.7°	179.7°
C1A	C6A	C5A	C4A	0.2°	0.5°
C1A	C6A	C5A	H6A	180.0°	179.5°
C1A	C6A	C5A	H5A	179.8°	179.7°
C2A	C3A	C4A	H3A	180.0°	180.0°
C2A	C3A	C4A	C5A	0.2°	0.0°
C2A	C3A	C4A	H4A	179.9°	180.0°
H2A	C2A	C3A	C4A	180.0°	180.0°
H2A	C2A	C3A	H3A	0.1°	0.0°
C3A	C4A	C5A	H4A	180.0°	179.9°
C3A	C4A	C5A	C6A	0.1°	0.2°
C3A	C4A	C5A	H5A	180.0°	180.0°
H3A	C3A	C4A	C5A	179.9°	180.0°
H3A	C3A	C4A	H4A	0.1°	0.1°
C4A	C5A	C6A	H5A	180.0°	179.8°
C4A	C5A	C6A	H6A	179.8°	180.0°
H4A	C4A	C5A	C6A	180.0°	179.9°
H4A	C4A	C5A	H5A	0.0°	0.0°
H5A	C5A	C6A	H6A	0.2°	0.2°
C1B	CB	HB1	HB2	117.6°	120.0°
CB	C1B	C2B	C6B	178.5°	179.8°
CB	C1B	C2B	C3B	178.5°	179.9°
CB	C1B	C2B	H2B	1.5°	0.0°
CB	C1B	C6B	C5B	178.5°	179.8°
CB	C1B	C6B	H6B	1.5°	0.1°
HB1	CB	C1B	C2B	165.2°	30.0°
HB1	CB	C1B	C6B	16.2°	149.8°
HB2	CB	C1B	C2B	55.7°	150.0°
HB2	CB	C1B	C6B	125.7°	29.8°
C1B	C2B	C3B	H2B	180.0°	179.9°
C1B	C2B	C3B	C4B	0.0°	0.0°
C1B	C2B	C3B	H3B	180.0°	180.0°
C2B	C1B	C6B	C5B	0.0°	0.4°
C2B	C1B	C6B	H6B	180.0°	179.9°
C6B	C1B	C2B	C3B	0.1°	0.3°
C6B	C1B	C2B	H2B	179.9°	179.8°
C1B	C6B	C5B	C4B	0.1°	0.3°
C1B	C6B	C5B	H6B	180.0°	179.6°
C1B	C6B	C5B	H5B	179.9°	179.7°
C2B	C3B	C4B	H3B	180.0°	180.0°
C2B	C3B	C4B	C5B	0.1°	0.1°
C2B	C3B	C4B	H4B	179.9°	180.0°
H2B	C2B	C3B	C4B	180.0°	180.0°
H2B	C2B	C3B	H3B	0.0°	0.0°
C3B	C4B	C5B	H4B	180.0°	179.9°
C3B	C4B	C5B	C6B	0.1°	0.1°
C3B	C4B	C5B	H5B	179.9°	180.0°
H3B	C3B	C4B	C5B	179.9°	179.9°
H3B	C3B	C4B	H4B	0.1°	0.0°
C4B	C5B	C6B	H5B	180.0°	180.0°
C4B	C5B	C6B	H6B	179.9°	180.0°
H4B	C4B	C5B	C6B	179.9°	179.9°
H4B	C4B	C5B	H5B	0.1°	0.1°
H5B	C5B	C6B	H6B	0.1°	0.1°
OC	CC	C1C	HC1	125.3°	120.0°
OC	CC	C1C	HC2	125.3°	120.0°
OC	CC	HC1	HC2	117.1°	120.0°
OC	CC	C1C	C2C	60.9°	90.0°
OC	CC	C1C	C6C	118.4°	90.2°
C1C	CC	HC1	HC2	117.0°	120.0°
CC	C1C	C2C	C6C	179.3°	179.8°
CC	C1C	C2C	C3C	179.2°	180.0°
CC	C1C	C2C	H2C	0.9°	0.0°
CC	C1C	C6C	C5C	179.2°	179.8°
CC	C1C	C6C	H6C	0.8°	0.2°
HC1	CC	C1C	C2C	173.8°	30.0°
HC1	CC	C1C	C6C	7.0°	149.7°
HC2	CC	C1C	C2C	64.4°	150.0°
HC2	CC	C1C	C6C	116.4°	29.7°
C1C	C2C	C3C	H2C	179.9°	180.0°
C1C	C2C	C3C	C4C	0.1°	0.0°
C1C	C2C	C3C	H3C	179.9°	180.0°
C2C	C1C	C6C	C5C	0.1°	0.4°
C2C	C1C	C6C	H6C	179.9°	179.9°
C6C	C1C	C2C	C3C	0.1°	0.2°
C6C	C1C	C2C	H2C	179.8°	179.8°
C1C	C6C	C5C	C4C	0.0°	0.4°
C1C	C6C	C5C	H6C	180.0°	179.7°
C1C	C6C	C5C	H5C	180.0°	179.7°
C2C	C3C	C4C	H3C	180.0°	180.0°
C2C	C3C	C4C	C5C	0.0°	0.0°
C2C	C3C	C4C	H4C	180.0°	179.9°
H2C	C2C	C3C	C4C	179.8°	180.0°
H2C	C2C	C3C	H3C	0.1°	0.0°
C3C	C4C	C5C	H4C	180.0°	179.9°
C3C	C4C	C5C	C6C	0.0°	0.2°
C3C	C4C	C5C	H5C	179.9°	179.9°
H3C	C3C	C4C	C5C	180.0°	180.0°
H3C	C3C	C4C	H4C	0.0°	0.1°
C4C	C5C	C6C	H5C	180.0°	179.9°
C4C	C5C	C6C	H6C	180.0°	180.0°
H4C	C4C	C5C	C6C	179.9°	179.9°
H4C	C4C	C5C	H5C	0.1°	0.0°
H5C	C5C	C6C	H6C	0.0°	0.1°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	1HPS