5JB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O17	C38	doub	1.21Å	1.24Å
C38	C37	sing	1.47Å	1.45Å
C38	C39	sing	1.52Å	1.52Å
C37	C36	doub	1.33Å	1.34Å
C39	C40	sing	1.53Å	1.55Å
C40	C41	sing	1.52Å	1.50Å
C41	C42	sing	1.53Å	1.49Å
C41	C36	sing	1.49Å	1.55Å
C41	C43	sing	1.53Å	1.56Å
C36	C35	sing	1.52Å	1.50Å
C35	C34	sing	1.53Å	1.55Å
C34	C33	sing	1.53Å	1.53Å
C43	C33	sing	1.53Å	1.51Å
C43	C44	sing	1.53Å	1.55Å
C33	C32	sing	1.52Å	1.56Å
C44	C45	sing	1.54Å	1.59Å
C45	C46	sing	1.52Å	1.51Å
C46	C47	sing	1.53Å	1.50Å
C46	C32	sing	1.54Å	1.55Å
C46	C29	sing	1.52Å	1.55Å
C32	C31	sing	1.53Å	1.53Å
C31	C30	sing	1.55Å	1.56Å
C30	C29	sing	1.53Å	1.55Å
C29	C1	sing	1.53Å	1.53Å
C1	C	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.56Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.51Å
C5	C7	sing	1.51Å	1.50Å
C7	O	doub	1.21Å	1.23Å
C7	S1P	sing	1.71Å	1.69Å
S1P	C2P	sing	1.81Å	1.77Å
C2P	C3P	sing	1.53Å	1.53Å
C3P	N4P	sing	1.47Å	1.45Å
C3P	H3P1	sing	1.09Å	27.44Å
C3P	H3P2	sing	1.09Å	27.44Å
N4P	C5P	sing	1.35Å	26.80Å
O5P	C5P	doub	1.21Å	0.00Å
C5P	C6P	sing	1.51Å	0.00Å
C6P	C7P	sing	1.53Å	0.00Å
C7P	N8P	sing	1.47Å	0.00Å
N8P	C9P	sing	1.35Å	0.00Å
C9P	O9P	doub	1.21Å	0.00Å
C9P	CAP	sing	1.51Å	0.00Å
CAP	OAP	sing	1.43Å	0.00Å
CAP	CBP	sing	1.53Å	0.00Å
CBP	CDP	sing	1.53Å	0.00Å
CBP	CEP	sing	1.53Å	0.00Å
CBP	CCP	sing	1.53Å	0.00Å
CCP	O6A	sing	1.43Å	0.00Å
O6A	P2A	sing	1.61Å	0.00Å
P2A	O4A	sing	1.61Å	0.00Å
P2A	O5A	doub	1.48Å	0.00Å
P2A	O3A	sing	1.61Å	0.00Å
O3A	P1A	sing	1.61Å	0.00Å
P1A	O1A	doub	1.48Å	0.00Å
P1A	O2A	sing	1.61Å	0.00Å
P1A	O5B	sing	1.61Å	0.00Å
O5B	C5B	sing	1.43Å	0.00Å
C5B	C4B	sing	1.53Å	0.00Å
C4B	C3B	sing	1.54Å	0.00Å
C4B	O4B	sing	1.44Å	0.00Å
C3B	O3B	sing	1.43Å	0.00Å
C3B	C2B	sing	1.54Å	0.00Å
O3B	P3B	sing	1.61Å	0.00Å
P3B	O9A	doub	1.48Å	0.00Å
P3B	O8A	sing	1.61Å	0.00Å
P3B	O7A	sing	1.61Å	0.00Å
C2B	O2B	sing	1.43Å	0.00Å
C2B	C1B	sing	1.55Å	0.00Å
O4B	C1B	sing	1.44Å	0.00Å
C1B	N9A	sing	1.47Å	0.00Å
N9A	C4A	sing	1.37Å	0.00Å	Aromatic
N9A	C8A	sing	1.36Å	0.00Å	Aromatic
C4A	N3A	sing	1.33Å	0.00Å	Aromatic
C4A	C5A	doub	1.40Å	0.00Å	Aromatic
N3A	C2A	doub	1.32Å	0.00Å	Aromatic
C2A	N1A	sing	1.32Å	0.00Å	Aromatic
C8A	N7A	doub	1.30Å	0.00Å	Aromatic
N7A	C5A	sing	1.36Å	0.00Å	Aromatic
C5A	C6A	sing	1.41Å	0.00Å	Aromatic
C6A	N1A	doub	1.33Å	0.00Å	Aromatic
N6A	C6A	sing	1.38Å	0.00Å
C37	H37	sing	1.08Å	21.89Å
C39	H391	sing	1.09Å	23.29Å
C39	H392	sing	1.09Å	23.29Å
C40	H401	sing	1.09Å	22.91Å
C40	H402	sing	1.09Å	22.91Å
C42	H421	sing	1.09Å	20.66Å
C42	H422	sing	1.09Å	20.66Å
C42	H423	sing	1.09Å	20.66Å
C43	H43	sing	1.09Å	21.41Å
C35	H351	sing	1.09Å	19.81Å
C35	H352	sing	1.09Å	19.81Å
C34	H341	sing	1.09Å	19.85Å
C34	H342	sing	1.09Å	19.85Å
C33	H33	sing	1.09Å	20.15Å
C44	H441	sing	1.09Å	21.84Å
C44	H442	sing	1.09Å	21.84Å
C32	H32	sing	1.09Å	20.46Å
C45	H451	sing	1.09Å	22.01Å
C45	H452	sing	1.09Å	22.01Å
C47	H471	sing	1.09Å	19.81Å
C47	H472	sing	1.09Å	19.81Å
C47	H473	sing	1.09Å	19.81Å
C29	H29	sing	1.09Å	21.12Å
C31	H311	sing	1.09Å	19.46Å
C31	H312	sing	1.09Å	19.46Å
C30	H301	sing	1.09Å	19.97Å
C30	H302	sing	1.09Å	19.97Å
C1	H1	sing	1.09Å	21.35Å
C	HC1	sing	1.09Å	22.52Å
C	HC2	sing	1.09Å	22.52Å
C	HC3	sing	1.09Å	22.52Å
C2	H21C	sing	1.09Å	21.54Å
C2	H22C	sing	1.09Å	21.54Å
C3	H31C	sing	1.09Å	22.77Å
C3	H32C	sing	1.09Å	22.77Å
C4	H41C	sing	1.09Å	22.98Å
C4	H42C	sing	1.09Å	22.98Å
C5	H5	sing	1.09Å	24.25Å
C6	H61C	sing	1.09Å	24.00Å
C6	H62C	sing	1.09Å	24.00Å
C6	H63C	sing	1.09Å	24.00Å
C2P	H2P1	sing	1.09Å	26.49Å
C2P	H2P2	sing	1.09Å	26.49Å
N4P	H4P	sing	0.97Å	26.80Å
C6P	H6P1	sing	1.09Å	0.00Å
C6P	H6P2	sing	1.09Å	0.00Å
C7P	H7P1	sing	1.09Å	0.00Å
C7P	H7P2	sing	1.09Å	0.00Å
N8P	H8P	sing	0.97Å	0.00Å
CAP	HAP	sing	1.09Å	0.00Å
OAP	HA	sing	0.97Å	0.00Å
CDP	HDP1	sing	1.09Å	0.00Å
CDP	HDP2	sing	1.09Å	0.00Å
CDP	HDP3	sing	1.09Å	0.00Å
CEP	HEP1	sing	1.09Å	0.00Å
CEP	HEP2	sing	1.09Å	0.00Å
CEP	HEP3	sing	1.09Å	0.00Å
CCP	HCP1	sing	1.09Å	0.00Å
CCP	HCP2	sing	1.09Å	0.00Å
O4A	H4A	sing	0.97Å	0.00Å
O2A	H2A	sing	0.97Å	0.00Å
C5B	H5B1	sing	1.09Å	0.00Å
C5B	H5B2	sing	1.09Å	0.00Å
C4B	H4B	sing	1.09Å	0.00Å
C3B	H3B	sing	1.09Å	0.00Å
C2B	H2B	sing	1.09Å	0.00Å
O8A	H8A	sing	0.97Å	0.00Å
O7A	H7A	sing	0.97Å	0.00Å
O2B	HB	sing	0.97Å	0.00Å
C1B	H1B	sing	1.09Å	0.00Å
C8A	HC	sing	1.08Å	0.00Å
C2A	HD	sing	1.08Å	0.00Å
N6A	H6A1	sing	0.97Å	0.00Å
N6A	H6A2	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O17	C38	C37	121.7°	121.7°
O17	C38	C39	118.4°	121.7°
C37	C38	C39	119.9°	116.5°
C38	C37	C36	123.7°	120.1°
C38	C37	H37	136.6°	120.0°
C38	C39	C40	105.7°	107.4°
C38	C39	H391	75.7°	109.9°
C38	C39	H392	75.7°	109.9°
C37	C36	C41	119.7°	123.6°
C37	C36	C35	121.8°	117.9°
C36	C37	H37	51.7°	120.0°
C39	C40	C41	114.8°	111.6°
C40	C39	H391	73.8°	109.9°
C40	C39	H392	73.8°	109.9°
C39	C40	H401	102.5°	109.0°
C39	C40	H402	102.5°	109.1°
C40	C41	C42	108.6°	108.0°
C40	C41	C36	110.1°	114.0°
C40	C41	C43	109.6°	109.3°
C41	C40	H401	16.8°	109.1°
C41	C40	H402	16.8°	109.0°
C42	C41	C36	110.7°	107.6°
C42	C41	C43	110.4°	108.0°
C41	C42	H421	121.4°	109.5°
C41	C42	H422	121.4°	109.4°
C41	C42	H423	121.4°	109.4°
C36	C41	C43	107.5°	109.8°
C41	C36	C35	118.2°	118.5°
C41	C43	C33	113.7°	109.6°
C41	C43	C44	109.9°	109.1°
C41	C43	H43	90.6°	109.0°
C36	C35	C34	109.7°	108.8°
C36	C35	H351	146.7°	109.6°
C36	C35	H352	146.7°	109.6°
C35	C34	C33	109.6°	109.2°
C34	C35	H351	89.2°	109.6°
C34	C35	H352	89.2°	109.5°
C35	C34	H341	86.3°	109.5°
C35	C34	H342	86.3°	109.5°
C34	C33	C43	114.2°	108.8°
C34	C33	C32	109.1°	109.7°
C33	C34	H341	99.0°	109.5°
C33	C34	H342	99.0°	109.5°
C34	C33	H33	76.7°	110.0°
C33	C43	C44	113.6°	111.6°
C43	C33	C32	106.9°	107.6°
C33	C43	H43	32.3°	109.0°
C43	C33	H33	145.4°	110.1°
C43	C44	C45	110.9°	111.7°
C44	C43	H43	104.2°	108.5°
C43	C44	H441	71.8°	109.1°
C43	C44	H442	71.8°	109.0°
C33	C32	C46	113.9°	107.4°
C33	C32	C31	117.0°	115.7°
C32	C33	H33	99.2°	110.5°
C33	C32	H32	76.4°	110.3°
C44	C45	C46	113.1°	107.1°
C45	C44	H441	94.1°	109.0°
C45	C44	H442	94.1°	109.0°
C44	C45	H451	81.8°	109.9°
C44	C45	H452	81.8°	109.9°
C45	C46	C47	105.3°	109.8°
C45	C46	C32	110.4°	106.8°
C45	C46	C29	120.6°	116.5°
C46	C45	H451	38.4°	110.0°
C46	C45	H452	38.4°	109.9°
C47	C46	C32	115.0°	110.1°
C47	C46	C29	107.0°	109.8°
C46	C47	H471	131.8°	109.4°
C46	C47	H472	131.8°	109.4°
C46	C47	H473	131.8°	109.5°
C32	C46	C29	98.9°	103.5°
C46	C32	C31	106.0°	101.3°
C46	C32	H32	102.5°	110.6°
C46	C29	C30	103.3°	105.5°
C46	C29	C1	117.6°	110.3°
C46	C29	H29	77.9°	110.3°
C32	C31	C30	102.5°	102.9°
C31	C32	H32	48.0°	111.0°
C32	C31	H311	128.7°	110.7°
C32	C31	H312	128.7°	110.7°
C31	C30	C29	107.5°	106.3°
C30	C31	H311	106.8°	110.7°
C30	C31	H312	106.8°	110.8°
C31	C30	H301	69.0°	110.1°
C31	C30	H302	69.0°	110.1°
C30	C29	C1	112.1°	110.4°
C30	C29	H29	40.9°	110.1°
C29	C30	H301	136.2°	110.0°
C29	C30	H302	136.2°	110.2°
C29	C1	C	111.6°	109.5°
C29	C1	C2	112.0°	109.5°
C1	C29	H29	97.0°	110.3°
C29	C1	H1	78.9°	109.5°
C	C1	C2	115.0°	109.5°
C	C1	H1	139.1°	109.4°
C1	C	HC1	38.4°	109.5°
C1	C	HC2	38.4°	109.5°
C1	C	HC3	38.4°	109.4°
C1	C2	C3	111.4°	109.5°
C2	C1	H1	94.8°	109.5°
C1	C2	H21C	81.0°	109.5°
C1	C2	H22C	81.0°	109.5°
C2	C3	C4	105.7°	109.5°
C3	C2	H21C	142.5°	109.5°
C3	C2	H22C	142.5°	109.5°
C2	C3	H31C	35.1°	109.4°
C2	C3	H32C	35.1°	109.5°
C3	C4	C5	108.7°	109.4°
C4	C3	H31C	95.7°	109.5°
C4	C3	H32C	95.7°	109.5°
C3	C4	H41C	80.5°	109.5°
C3	C4	H42C	80.5°	109.4°
C4	C5	C6	108.1°	109.5°
C4	C5	C7	109.5°	109.5°
C5	C4	H41C	145.6°	109.5°
C5	C4	H42C	145.6°	109.5°
C4	C5	H5	32.4°	109.5°
C6	C5	C7	109.8°	109.5°
C6	C5	H5	78.5°	109.5°
C5	C6	H61C	98.0°	109.5°
C5	C6	H62C	98.0°	109.5°
C5	C6	H63C	98.0°	109.5°
C5	C7	O	117.2°	120.0°
C5	C7	S1P	120.6°	120.0°
C7	C5	H5	109.0°	109.4°
O	C7	S1P	122.2°	120.0°
C7	S1P	C2P	106.2°	100.0°
S1P	C2P	C3P	109.4°	109.5°
S1P	C2P	H2P1	72.9°	109.5°
S1P	C2P	H2P2	72.9°	109.5°
C2P	C3P	N4P	112.0°	109.5°
C2P	C3P	H3P1	50.3°	109.5°
C2P	C3P	H3P2	50.3°	109.5°
C3P	C2P	H2P1	127.2°	109.5°
C3P	C2P	H2P2	127.2°	109.5°
N4P	C3P	H3P1	62.3°	109.5°
N4P	C3P	H3P2	62.3°	109.5°
C3P	N4P	C5P	114.9°	120.0°
C3P	N4P	H4P	114.9°	120.0°
H3P1	C3P	H3P2	NaN°	109.5°
N4P	C5P	O5P	90.0°	120.0°
N4P	C5P	C6P	90.0°	120.0°
C5P	N4P	H4P	0.0°	120.0°
O5P	C5P	C6P	90.0°	120.0°
C5P	C6P	C7P	90.0°	109.4°
C5P	C6P	H6P1	90.0°	109.5°
C5P	C6P	H6P2	90.0°	109.5°
C6P	C7P	N8P	90.0°	109.5°
C7P	C6P	H6P1	90.0°	109.5°
C7P	C6P	H6P2	90.0°	109.5°
C6P	C7P	H7P1	90.0°	109.5°
C6P	C7P	H7P2	90.0°	109.5°
C7P	N8P	C9P	90.0°	120.0°
N8P	C7P	H7P1	90.0°	109.4°
N8P	C7P	H7P2	90.0°	109.4°
C7P	N8P	H8P	90.0°	120.0°
N8P	C9P	O9P	90.0°	120.0°
N8P	C9P	CAP	90.0°	120.0°
C9P	N8P	H8P	90.0°	120.0°
O9P	C9P	CAP	90.0°	120.0°
C9P	CAP	OAP	90.0°	109.5°
C9P	CAP	CBP	90.0°	109.4°
C9P	CAP	HAP	90.0°	109.5°
OAP	CAP	CBP	90.0°	109.4°
OAP	CAP	HAP	90.0°	109.5°
CAP	OAP	HA	90.0°	114.0°
CAP	CBP	CDP	90.0°	109.4°
CAP	CBP	CEP	90.0°	109.5°
CAP	CBP	CCP	90.0°	109.5°
CBP	CAP	HAP	90.0°	109.5°
CDP	CBP	CEP	90.0°	109.5°
CDP	CBP	CCP	90.0°	109.4°
CBP	CDP	HDP1	90.0°	109.5°
CBP	CDP	HDP2	90.0°	109.5°
CBP	CDP	HDP3	90.0°	109.5°
CEP	CBP	CCP	90.0°	109.5°
CBP	CEP	HEP1	90.0°	109.5°
CBP	CEP	HEP2	90.0°	109.5°
CBP	CEP	HEP3	90.0°	109.5°
CBP	CCP	O6A	90.0°	109.5°
CBP	CCP	HCP1	90.0°	109.5°
CBP	CCP	HCP2	90.0°	109.5°
CCP	O6A	P2A	90.0°	123.0°
O6A	CCP	HCP1	90.0°	109.5°
O6A	CCP	HCP2	90.0°	109.4°
O6A	P2A	O4A	90.0°	109.5°
O6A	P2A	O5A	90.0°	109.5°
O6A	P2A	O3A	90.0°	109.5°
O4A	P2A	O5A	90.0°	109.5°
O4A	P2A	O3A	90.0°	109.5°
P2A	O4A	H4A	90.0°	114.0°
O5A	P2A	O3A	90.0°	109.5°
P2A	O3A	P1A	90.0°	134.0°
O3A	P1A	O1A	90.0°	109.5°
O3A	P1A	O2A	90.0°	109.4°
O3A	P1A	O5B	90.0°	109.4°
O1A	P1A	O2A	90.0°	109.5°
O1A	P1A	O5B	90.0°	109.5°
O2A	P1A	O5B	90.0°	109.5°
P1A	O2A	H2A	90.0°	114.0°
P1A	O5B	C5B	90.0°	123.0°
O5B	C5B	C4B	90.0°	109.5°
O5B	C5B	H5B1	90.0°	109.4°
O5B	C5B	H5B2	90.0°	109.5°
C5B	C4B	C3B	90.0°	110.4°
C5B	C4B	O4B	90.0°	110.4°
C4B	C5B	H5B1	90.0°	109.5°
C4B	C5B	H5B2	90.0°	109.5°
C5B	C4B	H4B	90.0°	110.3°
C3B	C4B	O4B	90.0°	104.8°
C4B	C3B	O3B	90.0°	110.5°
C4B	C3B	C2B	90.0°	104.1°
C3B	C4B	H4B	90.0°	110.4°
C4B	C3B	H3B	90.0°	110.5°
C4B	O4B	C1B	90.0°	105.2°
O4B	C4B	H4B	90.0°	110.5°
O3B	C3B	C2B	90.0°	110.5°
C3B	O3B	P3B	90.0°	123.0°
O3B	C3B	H3B	90.0°	110.4°
C3B	C2B	O2B	90.0°	110.5°
C3B	C2B	C1B	90.0°	104.0°
C2B	C3B	H3B	90.0°	110.7°
C3B	C2B	H2B	90.0°	110.5°
O3B	P3B	O9A	90.0°	109.5°
O3B	P3B	O8A	90.0°	109.5°
O3B	P3B	O7A	90.0°	109.5°
O9A	P3B	O8A	90.0°	109.5°
O9A	P3B	O7A	90.0°	109.5°
O8A	P3B	O7A	90.0°	109.4°
P3B	O8A	H8A	90.0°	114.0°
P3B	O7A	H7A	90.0°	114.0°
O2B	C2B	C1B	90.0°	110.4°
O2B	C2B	H2B	90.0°	110.5°
C2B	O2B	HB	90.0°	114.0°
C2B	C1B	O4B	90.0°	104.8°
C2B	C1B	N9A	90.0°	110.3°
C1B	C2B	H2B	90.0°	110.7°
C2B	C1B	H1B	90.0°	110.4°
O4B	C1B	N9A	90.0°	110.4°
O4B	C1B	H1B	90.0°	110.4°
C1B	N9A	C4A	90.0°	126.3°
C1B	N9A	C8A	90.0°	126.3°
N9A	C1B	H1B	90.0°	110.4°
C4A	N9A	C8A	90.0°	107.4°
N9A	C4A	N3A	90.0°	134.9°
N9A	C4A	C5A	90.0°	106.0°
N9A	C8A	N7A	90.0°	110.0°
N9A	C8A	HC	90.0°	125.0°
N3A	C4A	C5A	90.0°	119.0°
C4A	N3A	C2A	90.0°	120.7°
C4A	C5A	N7A	90.0°	107.1°
C4A	C5A	C6A	90.0°	118.2°
N3A	C2A	N1A	90.0°	122.4°
N3A	C2A	HD	90.0°	118.8°
C2A	N1A	C6A	90.0°	121.2°
N1A	C2A	HD	90.0°	118.8°
C8A	N7A	C5A	90.0°	109.4°
N7A	C8A	HC	90.0°	125.0°
N7A	C5A	C6A	90.0°	134.7°
C5A	C6A	N1A	90.0°	118.5°
C5A	C6A	N6A	90.0°	120.8°
N1A	C6A	N6A	90.0°	120.8°
C6A	N6A	H6A1	90.0°	120.0°
C6A	N6A	H6A2	90.0°	120.0°
H391	C39	H392	NaN°	109.9°
H401	C40	H402	0.0°	109.0°
H421	C42	H422	NaN°	109.5°
H421	C42	H423	NaN°	109.5°
H422	C42	H423	NaN°	109.5°
H351	C35	H352	0.0°	109.7°
H341	C34	H342	NaN°	109.6°
H441	C44	H442	0.0°	109.0°
H451	C45	H452	0.0°	110.0°
H471	C47	H472	0.0°	109.5°
H471	C47	H473	0.0°	109.5°
H472	C47	H473	0.0°	109.6°
H311	C31	H312	0.0°	110.8°
H301	C30	H302	0.0°	110.1°
HC1	C	HC2	NaN°	109.5°
HC1	C	HC3	NaN°	109.5°
HC2	C	HC3	NaN°	109.4°
H21C	C2	H22C	NaN°	109.4°
H31C	C3	H32C	0.0°	109.5°
H41C	C4	H42C	0.0°	109.5°
H61C	C6	H62C	NaN°	109.5°
H61C	C6	H63C	NaN°	109.5°
H62C	C6	H63C	NaN°	109.4°
H2P1	C2P	H2P2	NaN°	109.4°
H6P1	C6P	H6P2	90.0°	109.5°
H7P1	C7P	H7P2	90.0°	109.5°
HDP1	CDP	HDP2	90.0°	109.4°
HDP1	CDP	HDP3	90.0°	109.5°
HDP2	CDP	HDP3	90.0°	109.5°
HEP1	CEP	HEP2	90.0°	109.4°
HEP1	CEP	HEP3	90.0°	109.5°
HEP2	CEP	HEP3	90.0°	109.5°
HCP1	CCP	HCP2	90.0°	109.4°
H5B1	C5B	H5B2	90.0°	109.5°
H6A1	N6A	H6A2	90.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O17	C38	C37	C39	177.6°	179.8°
O17	C38	C37	C36	179.9°	159.2°
O17	C38	C39	C40	148.3°	130.7°
O17	C38	C37	H37	112.2°	20.7°
O17	C38	C39	H391	143.5°	11.2°
O17	C38	C39	H392	143.5°	109.8°
C38	C37	C36	H37	125.8°	180.0°
C37	C38	C39	C40	29.4°	49.1°
C38	C37	C36	C41	10.1°	0.7°
C38	C37	C36	C35	163.1°	178.3°
C37	C38	C39	H391	38.9°	168.5°
C37	C38	C39	H392	38.9°	70.4°
C39	C38	C37	C36	2.5°	20.5°
C38	C39	C40	H391	69.6°	119.5°
C38	C39	C40	H392	69.6°	119.5°
C38	C39	C40	C41	57.5°	58.0°
C39	C38	C37	H37	70.2°	159.5°
C38	C39	H391	H392	90.0°	121.0°
C38	C39	C40	H401	69.6°	62.6°
C38	C39	C40	H402	69.6°	178.5°
C37	C36	C41	C40	16.9°	9.5°
C37	C36	C41	C42	103.2°	110.3°
C37	C36	C41	C35	173.4°	179.0°
C37	C36	C41	C43	136.2°	132.5°
C37	C36	C35	C34	131.8°	131.5°
C37	C36	C35	H351	107.1°	108.6°
C37	C36	C35	H352	107.1°	11.8°
C39	C40	C41	H401	45.1°	120.5°
C39	C40	C41	H402	45.1°	120.6°
C39	C40	C41	C42	69.0°	79.8°
C39	C40	C41	C36	52.3°	39.8°
C39	C40	C41	C43	170.3°	163.0°
C40	C39	H391	H392	90.0°	121.0°
C39	C40	H401	H402	90.0°	119.0°
C40	C41	C42	C36	120.9°	123.5°
C40	C41	C42	C43	120.2°	118.0°
C40	C41	C36	C43	119.3°	122.9°
C40	C41	C36	C35	169.7°	171.5°
C40	C41	C43	C33	167.1°	179.2°
C40	C41	C43	C44	64.3°	58.3°
C41	C40	C39	H391	12.1°	177.5°
C41	C40	C39	H392	12.1°	61.5°
C41	C40	H401	H402	90.0°	118.9°
C40	C41	C42	H421	171.2°	60.0°
C40	C41	C42	H422	171.2°	180.0°
C40	C41	C42	H423	171.2°	60.0°
C40	C41	C43	H43	169.7°	60.1°
C42	C41	C36	C43	120.6°	117.2°
C42	C41	C36	C35	70.2°	68.7°
C42	C41	C43	C33	73.3°	63.5°
C42	C41	C43	C44	55.3°	58.9°
C42	C41	C40	H401	23.9°	159.7°
C42	C41	C40	H402	23.9°	40.8°
C41	C42	H421	H422	90.0°	120.0°
C41	C42	H421	H423	90.0°	119.9°
C41	C42	H422	H423	90.0°	120.0°
C42	C41	C43	H43	50.0°	177.3°
C41	C36	C35	C34	54.9°	49.4°
C36	C41	C43	C33	47.5°	53.5°
C36	C41	C43	C44	176.1°	176.0°
C41	C36	C37	H37	135.9°	179.2°
C36	C41	C40	H401	97.4°	80.7°
C36	C41	C40	H402	97.4°	160.4°
C36	C41	C42	H421	50.3°	63.5°
C36	C41	C42	H422	50.3°	56.5°
C36	C41	C42	H423	50.3°	176.5°
C36	C41	C43	H43	70.7°	65.7°
C41	C36	C35	H351	66.2°	70.4°
C41	C36	C35	H352	66.2°	169.2°
C43	C41	C36	C35	50.4°	48.5°
C41	C43	C33	C34	54.3°	63.8°
C41	C43	C33	C44	126.8°	121.0°
C41	C43	C33	H43	47.6°	119.2°
C41	C43	C44	H43	95.9°	118.7°
C41	C43	C33	C32	175.1°	177.3°
C41	C43	C44	C45	176.6°	175.0°
C43	C41	C40	H401	144.6°	42.5°
C43	C41	C40	H402	144.6°	76.4°
C43	C41	C42	H421	68.5°	178.1°
C43	C41	C42	H422	68.5°	61.9°
C43	C41	C42	H423	68.5°	58.1°
C41	C43	C33	H33	47.6°	56.8°
C41	C43	C44	H441	95.9°	64.5°
C41	C43	C44	H442	95.9°	54.4°
C36	C35	C34	H351	151.9°	119.8°
C36	C35	C34	H352	151.9°	119.7°
C36	C35	C34	C33	53.7°	55.3°
C35	C36	C37	H37	37.3°	1.8°
C36	C35	H351	H352	90.0°	120.3°
C36	C35	C34	H341	151.9°	175.1°
C36	C35	C34	H342	151.9°	64.7°
C35	C34	C33	H341	89.3°	119.9°
C35	C34	C33	H342	89.3°	120.0°
C35	C34	C33	C43	55.9°	65.1°
C35	C34	C33	C32	175.4°	177.4°
C34	C35	H351	H352	90.0°	120.3°
C35	C34	H341	H342	90.0°	120.2°
C35	C34	C33	H33	89.3°	55.6°
C34	C33	C43	C32	120.8°	118.8°
C34	C33	C43	H33	101.9°	120.7°
C34	C33	C43	C44	178.9°	175.2°
C34	C33	C32	H33	79.0°	121.5°
C34	C33	C32	C46	176.9°	177.3°
C34	C33	C32	C31	52.6°	65.0°
C34	C33	C43	H43	101.9°	55.4°
C33	C34	C35	H351	98.3°	64.6°
C33	C34	C35	H352	98.3°	175.0°
C33	C34	H341	H342	90.0°	120.1°
C34	C33	C32	H32	79.0°	62.1°
C33	C43	C44	H43	32.8°	120.1°
C43	C33	C32	H33	157.0°	120.3°
C33	C43	C44	C45	54.6°	53.7°
C43	C33	C32	C46	59.2°	64.5°
C43	C33	C32	C31	176.5°	176.8°
C43	C33	C34	H341	145.2°	175.0°
C43	C33	C34	H342	145.2°	54.9°
C33	C43	C44	H441	32.8°	174.3°
C33	C43	C44	H442	32.8°	66.8°
C43	C33	C32	H32	157.0°	56.1°
C44	C43	C33	C32	58.1°	56.4°
C43	C44	C45	H441	72.1°	120.6°
C43	C44	C45	H442	72.1°	120.6°
C43	C44	C45	C46	49.5°	57.5°
C44	C43	C33	H33	79.2°	64.1°
C43	C44	H441	H442	90.0°	118.9°
C43	C44	C45	H451	72.1°	62.0°
C43	C44	C45	H452	72.1°	176.9°
C33	C32	C46	C45	56.4°	70.5°
C33	C32	C46	C47	62.6°	48.7°
C33	C32	C46	C31	130.0°	121.8°
C33	C32	C46	H32	80.5°	120.4°
C33	C32	C46	C29	176.2°	166.0°
C33	C32	C31	H32	35.7°	126.7°
C33	C32	C31	C30	159.4°	157.3°
C32	C33	C43	H43	137.3°	63.4°
C32	C33	C34	H341	95.3°	57.5°
C32	C33	C34	H342	95.3°	62.7°
C33	C32	C31	H311	35.7°	39.0°
C33	C32	C31	H312	35.7°	84.3°
C44	C45	C46	H451	37.9°	119.4°
C44	C45	C46	H452	37.9°	119.4°
C44	C45	C46	C47	74.8°	54.3°
C44	C45	C46	C32	50.0°	65.1°
C44	C45	C46	C29	164.3°	179.9°
C45	C44	C43	H43	87.4°	66.4°
C45	C44	H441	H442	90.0°	118.9°
C44	C45	H451	H452	90.0°	121.1°
C45	C46	C47	C32	121.8°	117.3°
C45	C46	C47	C29	129.5°	129.3°
C45	C46	C32	C29	127.4°	123.4°
C45	C46	C32	C31	173.6°	167.7°
C45	C46	C29	C30	162.1°	146.1°
C45	C46	C29	C1	73.9°	94.7°
C46	C45	C44	H441	22.7°	178.0°
C46	C45	C44	H442	22.7°	63.1°
C45	C46	C32	H32	136.9°	49.9°
C46	C45	H451	H452	90.0°	121.2°
C45	C46	C47	H471	146.3°	59.3°
C45	C46	C47	H472	146.3°	179.2°
C45	C46	C47	H473	146.3°	60.7°
C45	C46	C29	H29	165.6°	27.4°
C47	C46	C32	C29	113.6°	117.4°
C47	C46	C32	C31	67.4°	73.1°
C47	C46	C29	C30	77.7°	88.3°
C47	C46	C29	C1	46.2°	30.9°
C47	C46	C32	H32	17.9°	169.1°
C47	C46	C45	H451	36.9°	173.7°
C47	C46	C45	H452	36.9°	65.1°
C46	C47	H471	H472	90.0°	119.9°
C46	C47	H471	H473	90.0°	120.0°
C46	C47	H472	H473	90.0°	120.0°
C47	C46	C29	H29	45.4°	152.9°
C46	C32	C31	H32	92.5°	117.5°
C46	C32	C31	C30	31.2°	41.6°
C32	C46	C29	C30	42.0°	29.3°
C32	C46	C29	C1	165.9°	148.5°
C46	C32	C33	H33	97.8°	55.8°
C32	C46	C45	H451	87.9°	54.3°
C32	C46	C45	H452	87.9°	175.5°
C32	C46	C47	H471	24.5°	58.0°
C32	C46	C47	H472	24.5°	61.9°
C32	C46	C47	H473	24.5°	178.0°
C32	C46	C29	H29	74.3°	89.5°
C46	C32	C31	H311	92.5°	76.8°
C46	C32	C31	H312	92.5°	160.0°
C29	C46	C32	C31	46.2°	44.3°
C46	C29	C30	C31	24.6°	3.3°
C46	C29	C30	C1	127.5°	119.1°
C46	C29	C30	H29	53.0°	118.9°
C46	C29	C1	H29	79.9°	122.0°
C46	C29	C1	C	58.7°	65.8°
C46	C29	C1	C2	170.7°	174.2°
C29	C46	C32	H32	95.7°	73.5°
C29	C46	C45	H451	157.9°	60.7°
C29	C46	C45	H452	157.9°	60.5°
C29	C46	C47	H471	84.2°	171.4°
C29	C46	C47	H472	84.2°	51.5°
C29	C46	C47	H473	84.2°	68.6°
C46	C29	C30	H301	53.0°	115.9°
C46	C29	C30	H302	53.0°	122.5°
C46	C29	C1	H1	79.9°	54.2°
C32	C31	C30	H311	137.3°	118.4°
C32	C31	C30	H312	137.3°	118.3°
C32	C31	C30	C29	3.7°	24.0°
C31	C32	C33	H33	26.5°	56.5°
C32	C31	H311	H312	90.0°	123.2°
C32	C31	C30	H301	137.3°	143.2°
C32	C31	C30	H302	137.3°	95.3°
C31	C30	C29	H301	77.6°	119.2°
C31	C30	C29	H302	77.6°	119.3°
C31	C30	C29	C1	152.1°	122.4°
C30	C31	C32	H32	123.7°	75.9°
C31	C30	C29	H29	77.6°	115.7°
C30	C31	H311	H312	90.0°	123.3°
C31	C30	H301	H302	90.0°	121.5°
C30	C29	C1	H29	39.4°	121.8°
C30	C29	C1	C	178.1°	178.1°
C30	C29	C1	C2	51.3°	58.0°
C29	C30	C31	H311	133.6°	94.3°
C29	C30	C31	H312	133.6°	142.4°
C29	C30	H301	H302	90.0°	121.6°
C30	C29	C1	H1	39.4°	62.0°
C29	C1	C	C2	129.0°	120.1°
C29	C1	C	H1	98.1°	120.0°
C29	C1	C2	H1	80.0°	120.0°
C29	C1	C2	C3	63.3°	175.0°
C1	C29	C30	H301	74.5°	3.2°
C1	C29	C30	H302	74.5°	118.4°
C29	C1	C	HC1	98.1°	63.4°
C29	C1	C	HC2	98.1°	176.5°
C29	C1	C	HC3	98.1°	56.6°
C29	C1	C2	H21C	80.0°	55.0°
C29	C1	C2	H22C	80.0°	65.0°
C	C1	C2	H1	151.2°	119.9°
C	C1	C2	C3	65.5°	65.0°
C	C1	C29	H29	138.7°	56.3°
C1	C	HC1	HC2	90.0°	120.0°
C1	C	HC1	HC3	90.0°	120.0°
C1	C	HC2	HC3	90.0°	119.9°
C	C1	C2	H21C	151.2°	175.0°
C	C1	C2	H22C	151.2°	55.0°
C1	C2	C3	H21C	103.7°	120.0°
C1	C2	C3	H22C	103.7°	120.0°
C1	C2	C3	C4	178.9°	180.0°
C2	C1	C29	H29	90.7°	63.8°
C2	C1	C	HC1	132.9°	176.5°
C2	C1	C	HC2	132.9°	56.5°
C2	C1	C	HC3	132.9°	63.5°
C1	C2	H21C	H22C	90.0°	120.0°
C1	C2	C3	H31C	103.7°	60.0°
C1	C2	C3	H32C	103.7°	60.0°
C2	C3	C4	H31C	34.4°	120.0°
C2	C3	C4	H32C	34.4°	120.0°
C2	C3	C4	C5	179.9°	180.0°
C3	C2	C1	H1	143.3°	55.0°
C3	C2	H21C	H22C	90.0°	120.0°
C2	C3	H31C	H32C	90.0°	120.0°
C2	C3	C4	H41C	34.4°	60.0°
C2	C3	C4	H42C	34.4°	60.0°
C3	C4	C5	H41C	100.7°	120.0°
C3	C4	C5	H42C	100.7°	119.9°
C3	C4	C5	C6	76.0°	65.0°
C3	C4	C5	C7	164.4°	175.0°
C4	C3	C2	H21C	77.4°	60.0°
C4	C3	C2	H22C	77.4°	60.0°
C4	C3	H31C	H32C	90.0°	120.0°
C3	C4	H41C	H42C	90.0°	120.0°
C3	C4	C5	H5	100.7°	55.0°
C4	C5	C6	C7	119.4°	120.0°
C4	C5	C6	H5	13.2°	120.0°
C4	C5	C7	H5	34.3°	120.0°
C4	C5	C7	O	80.8°	0.1°
C4	C5	C7	S1P	97.1°	180.0°
C5	C4	C3	H31C	145.7°	60.0°
C5	C4	C3	H32C	145.7°	60.0°
C5	C4	H41C	H42C	90.0°	120.0°
C4	C5	C6	H61C	13.2°	60.0°
C4	C5	C6	H62C	13.2°	60.0°
C4	C5	C6	H63C	13.2°	180.0°
C6	C5	C7	H5	84.2°	120.0°
C6	C5	C7	O	37.8°	120.0°
C6	C5	C7	S1P	144.3°	60.0°
C6	C5	C4	H41C	24.7°	175.0°
C6	C5	C4	H42C	24.7°	54.9°
C5	C6	H61C	H62C	90.0°	120.1°
C5	C6	H61C	H63C	90.0°	120.1°
C5	C6	H62C	H63C	90.0°	120.0°
C5	C7	O	S1P	177.8°	179.9°
C5	C7	S1P	C2P	179.2°	180.0°
C7	C5	C4	H41C	94.9°	55.0°
C7	C5	C4	H42C	94.9°	65.1°
C7	C5	C6	H61C	106.3°	60.0°
C7	C5	C6	H62C	106.3°	180.0°
C7	C5	C6	H63C	106.3°	60.0°
O	C7	S1P	C2P	3.0°	0.0°
O	C7	C5	H5	46.4°	120.0°
C7	S1P	C2P	C3P	81.4°	180.0°
S1P	C7	C5	H5	131.4°	60.0°
C7	S1P	C2P	H2P1	42.8°	60.0°
C7	S1P	C2P	H2P2	42.8°	60.0°
S1P	C2P	C3P	H2P1	82.8°	120.0°
S1P	C2P	C3P	H2P2	82.8°	120.0°
S1P	C2P	C3P	N4P	91.9°	180.0°
S1P	C2P	C3P	H3P1	82.8°	60.0°
S1P	C2P	C3P	H3P2	82.8°	60.0°
S1P	C2P	H2P1	H2P2	90.0°	120.0°
C2P	C3P	N4P	H3P1	7.9°	120.0°
C2P	C3P	N4P	H3P2	7.9°	120.0°
C2P	C3P	H3P1	H3P2	90.0°	120.0°
C2P	C3P	N4P	C5P	7.9°	180.0°
C3P	C2P	H2P1	H2P2	90.0°	120.0°
C2P	C3P	N4P	H4P	7.9°	0.0°
N4P	C3P	H3P1	H3P2	90.0°	120.0°
C3P	N4P	C5P	H4P	90.0°	179.9°
C3P	N4P	C5P	O5P	90.0°	0.0°
C3P	N4P	C5P	C6P	90.0°	180.0°
N4P	C3P	C2P	H2P1	9.1°	60.0°
N4P	C3P	C2P	H2P2	9.1°	60.0°
H3P1	C3P	N4P	C5P	0.0°	60.0°
H3P1	C3P	C2P	H2P1	0.0°	180.0°
H3P1	C3P	C2P	H2P2	0.0°	60.0°
H3P1	C3P	N4P	H4P	0.0°	119.9°
H3P2	C3P	N4P	C5P	0.0°	60.0°
H3P2	C3P	C2P	H2P1	0.0°	60.0°
H3P2	C3P	C2P	H2P2	0.0°	180.0°
H3P2	C3P	N4P	H4P	0.0°	120.0°
N4P	C5P	O5P	C6P	90.0°	180.0°
N4P	C5P	C6P	C7P	90.0°	180.0°
N4P	C5P	C6P	H6P1	90.0°	60.0°
N4P	C5P	C6P	H6P2	90.0°	60.1°
O5P	C5P	C6P	C7P	90.0°	0.0°
O5P	C5P	N4P	H4P	90.0°	180.0°
O5P	C5P	C6P	H6P1	90.0°	120.0°
O5P	C5P	C6P	H6P2	90.0°	120.0°
C5P	C6P	C7P	H6P1	90.0°	120.0°
C5P	C6P	C7P	H6P2	90.0°	120.0°
C5P	C6P	C7P	N8P	90.0°	180.0°
C6P	C5P	N4P	H4P	90.0°	0.1°
C5P	C6P	H6P1	H6P2	90.0°	120.0°
C5P	C6P	C7P	H7P1	90.0°	60.0°
C5P	C6P	C7P	H7P2	90.0°	60.0°
C6P	C7P	N8P	H7P1	90.0°	120.0°
C6P	C7P	N8P	H7P2	90.0°	120.0°
C6P	C7P	N8P	C9P	90.0°	180.0°
C7P	C6P	H6P1	H6P2	90.0°	120.0°
C6P	C7P	H7P1	H7P2	90.0°	120.1°
C6P	C7P	N8P	H8P	90.0°	0.1°
C7P	N8P	C9P	H8P	90.0°	179.9°
C7P	N8P	C9P	O9P	90.0°	4.9°
C7P	N8P	C9P	CAP	90.0°	175.2°
N8P	C7P	C6P	H6P1	90.0°	60.0°
N8P	C7P	C6P	H6P2	90.0°	60.0°
N8P	C7P	H7P1	H7P2	90.0°	120.0°
N8P	C9P	O9P	CAP	90.0°	179.9°
N8P	C9P	CAP	OAP	90.0°	6.6°
N8P	C9P	CAP	CBP	90.0°	113.3°
C9P	N8P	C7P	H7P1	90.0°	60.1°
C9P	N8P	C7P	H7P2	90.0°	59.9°
N8P	C9P	CAP	HAP	90.0°	126.7°
O9P	C9P	CAP	OAP	90.0°	173.3°
O9P	C9P	CAP	CBP	90.0°	66.8°
O9P	C9P	N8P	H8P	90.0°	175.2°
O9P	C9P	CAP	HAP	90.0°	53.2°
C9P	CAP	OAP	CBP	90.0°	120.0°
C9P	CAP	OAP	HAP	90.0°	120.1°
C9P	CAP	CBP	HAP	90.0°	120.0°
C9P	CAP	CBP	CDP	90.0°	65.7°
C9P	CAP	CBP	CEP	90.0°	54.4°
C9P	CAP	CBP	CCP	90.0°	174.4°
CAP	C9P	N8P	H8P	90.0°	4.7°
C9P	CAP	OAP	HA	90.0°	60.0°
OAP	CAP	CBP	HAP	90.0°	120.0°
OAP	CAP	CBP	CDP	90.0°	174.4°
OAP	CAP	CBP	CEP	90.0°	65.6°
OAP	CAP	CBP	CCP	90.0°	54.4°
CAP	CBP	CDP	CEP	90.0°	120.0°
CAP	CBP	CDP	CCP	90.0°	120.0°
CAP	CBP	CEP	CCP	90.0°	120.0°
CAP	CBP	CCP	O6A	90.0°	180.0°
CBP	CAP	OAP	HA	90.0°	60.0°
CAP	CBP	CDP	HDP1	90.0°	67.3°
CAP	CBP	CDP	HDP2	90.0°	172.7°
CAP	CBP	CDP	HDP3	90.0°	52.7°
CAP	CBP	CEP	HEP1	90.0°	60.1°
CAP	CBP	CEP	HEP2	90.0°	180.0°
CAP	CBP	CEP	HEP3	90.0°	60.0°
CAP	CBP	CCP	HCP1	90.0°	60.0°
CAP	CBP	CCP	HCP2	90.0°	60.0°
CDP	CBP	CEP	CCP	90.0°	120.0°
CDP	CBP	CCP	O6A	90.0°	60.0°
CDP	CBP	CAP	HAP	90.0°	54.4°
CBP	CDP	HDP1	HDP2	90.0°	120.0°
CBP	CDP	HDP1	HDP3	90.0°	120.0°
CBP	CDP	HDP2	HDP3	90.0°	120.0°
CDP	CBP	CEP	HEP1	90.0°	180.0°
CDP	CBP	CEP	HEP2	90.0°	60.0°
CDP	CBP	CEP	HEP3	90.0°	60.0°
CDP	CBP	CCP	HCP1	90.0°	180.0°
CDP	CBP	CCP	HCP2	90.0°	60.0°
CEP	CBP	CCP	O6A	90.0°	60.0°
CEP	CBP	CAP	HAP	90.0°	174.4°
CEP	CBP	CDP	HDP1	90.0°	52.7°
CEP	CBP	CDP	HDP2	90.0°	67.3°
CEP	CBP	CDP	HDP3	90.0°	172.8°
CBP	CEP	HEP1	HEP2	90.0°	120.0°
CBP	CEP	HEP1	HEP3	90.0°	120.0°
CBP	CEP	HEP2	HEP3	90.0°	120.0°
CEP	CBP	CCP	HCP1	90.0°	60.0°
CEP	CBP	CCP	HCP2	90.0°	180.0°
CBP	CCP	O6A	HCP1	90.0°	120.0°
CBP	CCP	O6A	HCP2	90.0°	120.0°
CBP	CCP	O6A	P2A	90.0°	180.0°
CCP	CBP	CAP	HAP	90.0°	65.6°
CCP	CBP	CDP	HDP1	90.0°	172.7°
CCP	CBP	CDP	HDP2	90.0°	52.7°
CCP	CBP	CDP	HDP3	90.0°	67.2°
CCP	CBP	CEP	HEP1	90.0°	60.0°
CCP	CBP	CEP	HEP2	90.0°	60.0°
CCP	CBP	CEP	HEP3	90.0°	180.0°
CBP	CCP	HCP1	HCP2	90.0°	120.0°
CCP	O6A	P2A	O4A	90.0°	65.0°
CCP	O6A	P2A	O5A	90.0°	55.0°
CCP	O6A	P2A	O3A	90.0°	175.0°
O6A	CCP	HCP1	HCP2	90.0°	119.9°
O6A	P2A	O4A	O5A	90.0°	120.0°
O6A	P2A	O4A	O3A	90.0°	120.0°
O6A	P2A	O5A	O3A	90.0°	120.0°
O6A	P2A	O3A	P1A	90.0°	164.9°
P2A	O6A	CCP	HCP1	90.0°	60.0°
P2A	O6A	CCP	HCP2	90.0°	60.0°
O6A	P2A	O4A	H4A	90.0°	60.0°
O4A	P2A	O5A	O3A	90.0°	120.0°
O4A	P2A	O3A	P1A	90.0°	75.1°
O5A	P2A	O3A	P1A	90.0°	44.9°
O5A	P2A	O4A	H4A	90.0°	180.0°
P2A	O3A	P1A	O1A	90.0°	40.0°
P2A	O3A	P1A	O2A	90.0°	80.1°
P2A	O3A	P1A	O5B	90.0°	160.0°
O3A	P2A	O4A	H4A	90.0°	60.0°
O3A	P1A	O1A	O2A	90.0°	120.0°
O3A	P1A	O1A	O5B	90.0°	120.0°
O3A	P1A	O2A	O5B	90.0°	119.9°
O3A	P1A	O5B	C5B	90.0°	175.1°
O3A	P1A	O2A	H2A	90.0°	60.0°
O1A	P1A	O2A	O5B	90.0°	120.0°
O1A	P1A	O5B	C5B	90.0°	55.0°
O1A	P1A	O2A	H2A	90.0°	180.0°
O2A	P1A	O5B	C5B	90.0°	65.0°
P1A	O5B	C5B	C4B	90.0°	180.0°
O5B	P1A	O2A	H2A	90.0°	60.0°
P1A	O5B	C5B	H5B1	90.0°	60.0°
P1A	O5B	C5B	H5B2	90.0°	60.0°
O5B	C5B	C4B	H5B1	90.0°	119.9°
O5B	C5B	C4B	H5B2	90.0°	120.0°
O5B	C5B	C4B	C3B	90.0°	175.0°
O5B	C5B	C4B	O4B	90.0°	69.6°
O5B	C5B	H5B1	H5B2	90.0°	120.0°
O5B	C5B	C4B	H4B	90.0°	52.8°
C5B	C4B	C3B	O4B	90.0°	118.8°
C5B	C4B	C3B	H4B	90.0°	122.2°
C5B	C4B	O4B	H4B	90.0°	122.2°
C5B	C4B	C3B	O3B	90.0°	98.5°
C5B	C4B	C3B	C2B	90.0°	142.8°
C5B	C4B	O4B	C1B	90.0°	159.3°
C4B	C5B	H5B1	H5B2	90.0°	120.0°
C5B	C4B	C3B	H3B	90.0°	24.0°
C3B	C4B	O4B	H4B	90.0°	118.9°
C4B	C3B	O3B	C2B	90.0°	114.7°
C4B	C3B	O3B	H3B	90.0°	122.5°
C4B	C3B	C2B	H3B	90.0°	118.7°
C4B	C3B	O3B	P3B	90.0°	120.0°
C4B	C3B	C2B	O2B	90.0°	118.6°
C4B	C3B	C2B	C1B	90.0°	0.0°
C3B	C4B	O4B	C1B	90.0°	40.5°
C3B	C4B	C5B	H5B1	90.0°	65.0°
C3B	C4B	C5B	H5B2	90.0°	55.0°
C4B	C3B	C2B	H2B	90.0°	118.8°
O4B	C4B	C3B	O3B	90.0°	142.6°
O4B	C4B	C3B	C2B	90.0°	24.0°
C4B	O4B	C1B	C2B	90.0°	40.5°
C4B	O4B	C1B	N9A	90.0°	159.3°
O4B	C4B	C5B	H5B1	90.0°	50.4°
O4B	C4B	C5B	H5B2	90.0°	170.4°
O4B	C4B	C3B	H3B	90.0°	94.9°
C4B	O4B	C1B	H1B	90.0°	78.3°
O3B	C3B	C2B	H3B	90.0°	122.7°
C3B	O3B	P3B	O9A	90.0°	55.0°
C3B	O3B	P3B	O8A	90.0°	175.1°
C3B	O3B	P3B	O7A	90.0°	65.0°
O3B	C3B	C2B	O2B	90.0°	0.1°
O3B	C3B	C2B	C1B	90.0°	118.6°
O3B	C3B	C4B	H4B	90.0°	23.7°
O3B	C3B	C2B	H2B	90.0°	122.6°
C2B	C3B	O3B	P3B	90.0°	125.3°
C3B	C2B	O2B	C1B	90.0°	114.6°
C3B	C2B	O2B	H2B	90.0°	122.7°
C3B	C2B	C1B	H2B	90.0°	118.7°
C3B	C2B	C1B	O4B	90.0°	24.0°
C3B	C2B	C1B	N9A	90.0°	142.8°
C2B	C3B	C4B	H4B	90.0°	95.0°
C3B	C2B	O2B	HB	90.0°	180.0°
C3B	C2B	C1B	H1B	90.0°	94.8°
O3B	P3B	O9A	O8A	90.0°	120.0°
O3B	P3B	O9A	O7A	90.0°	120.0°
O3B	P3B	O8A	O7A	90.0°	120.0°
P3B	O3B	C3B	H3B	90.0°	2.5°
O3B	P3B	O8A	H8A	90.0°	180.0°
O3B	P3B	O7A	H7A	90.0°	59.9°
O9A	P3B	O8A	O7A	90.0°	120.0°
O9A	P3B	O8A	H8A	90.0°	60.0°
O9A	P3B	O7A	H7A	90.0°	180.0°
O8A	P3B	O7A	H7A	90.0°	60.0°
O7A	P3B	O8A	H8A	90.0°	60.0°
O2B	C2B	C1B	H2B	90.0°	122.7°
O2B	C2B	C1B	O4B	90.0°	142.6°
O2B	C2B	C1B	N9A	90.0°	98.6°
O2B	C2B	C3B	H3B	90.0°	122.7°
O2B	C2B	C1B	H1B	90.0°	23.8°
C2B	C1B	O4B	N9A	90.0°	118.8°
C2B	C1B	O4B	H1B	90.0°	118.9°
C2B	C1B	N9A	H1B	90.0°	122.3°
C2B	C1B	N9A	C4A	90.0°	85.0°
C2B	C1B	N9A	C8A	90.0°	95.3°
C1B	C2B	C3B	H3B	90.0°	118.7°
C1B	C2B	O2B	HB	90.0°	65.5°
O4B	C1B	N9A	H1B	90.0°	122.3°
O4B	C1B	N9A	C4A	90.0°	159.6°
O4B	C1B	N9A	C8A	90.0°	20.0°
C1B	O4B	C4B	H4B	90.0°	78.4°
O4B	C1B	C2B	H2B	90.0°	94.7°
C1B	N9A	C4A	C8A	90.0°	179.7°
C1B	N9A	C4A	N3A	90.0°	0.0°
C1B	N9A	C4A	C5A	90.0°	180.0°
C1B	N9A	C8A	N7A	90.0°	180.0°
N9A	C1B	C2B	H2B	90.0°	24.1°
C1B	N9A	C8A	HC	90.0°	0.0°
N9A	C4A	N3A	C5A	90.0°	180.0°
N9A	C4A	N3A	C2A	90.0°	180.0°
C4A	N9A	C8A	N7A	90.0°	0.3°
N9A	C4A	C5A	N7A	90.0°	0.2°
N9A	C4A	C5A	C6A	90.0°	180.0°
C4A	N9A	C1B	H1B	90.0°	37.3°
C4A	N9A	C8A	HC	90.0°	179.8°
C8A	N9A	C4A	N3A	90.0°	179.7°
C8A	N9A	C4A	C5A	90.0°	0.3°
N9A	C8A	N7A	HC	90.0°	179.9°
N9A	C8A	N7A	C5A	90.0°	0.2°
C8A	N9A	C1B	H1B	90.0°	142.4°
C4A	N3A	C2A	N1A	90.0°	0.0°
N3A	C4A	C5A	N7A	90.0°	179.8°
N3A	C4A	C5A	C6A	90.0°	0.0°
C4A	N3A	C2A	HD	90.0°	180.0°
C5A	C4A	N3A	C2A	90.0°	0.0°
C4A	C5A	N7A	C8A	90.0°	0.0°
C4A	C5A	N7A	C6A	90.0°	179.8°
C4A	C5A	C6A	N1A	90.0°	0.0°
C4A	C5A	C6A	N6A	90.0°	180.0°
N3A	C2A	N1A	HD	90.0°	180.0°
N3A	C2A	N1A	C6A	90.0°	0.0°
C2A	N1A	C6A	C5A	90.0°	0.0°
C2A	N1A	C6A	N6A	90.0°	180.0°
C8A	N7A	C5A	C6A	90.0°	179.8°
N7A	C5A	C6A	N1A	90.0°	179.8°
N7A	C5A	C6A	N6A	90.0°	0.2°
C5A	N7A	C8A	HC	90.0°	179.9°
C5A	C6A	N1A	N6A	90.0°	180.0°
C5A	C6A	N6A	H6A1	90.0°	0.0°
C5A	C6A	N6A	H6A2	90.0°	180.0°
C6A	N1A	C2A	HD	90.0°	180.0°
N1A	C6A	N6A	H6A1	90.0°	180.0°
N1A	C6A	N6A	H6A2	90.0°	0.0°
C6A	N6A	H6A1	H6A2	90.0°	180.0°
H391	C39	C40	H401	0.0°	56.9°
H391	C39	C40	H402	0.0°	62.0°
H392	C39	C40	H401	0.0°	178.0°
H392	C39	C40	H402	0.0°	59.1°
H421	C42	H422	H423	90.0°	120.1°
H43	C43	C33	H33	NaN°	176.0°
H43	C43	C44	H441	0.0°	54.2°
H43	C43	C44	H442	0.0°	173.1°
H351	C35	C34	H341	0.0°	55.3°
H351	C35	C34	H342	0.0°	175.5°
H352	C35	C34	H341	0.0°	65.1°
H352	C35	C34	H342	0.0°	55.1°
H341	C34	C33	H33	0.0°	64.3°
H342	C34	C33	H33	0.0°	175.6°
H33	C33	C32	H32	0.0°	176.4°
H441	C44	C45	H451	0.0°	58.6°
H441	C44	C45	H452	0.0°	62.5°
H442	C44	C45	H451	0.0°	177.5°
H442	C44	C45	H452	0.0°	56.3°
H32	C32	C31	H311	0.0°	165.7°
H32	C32	C31	H312	0.0°	42.5°
H471	C47	H472	H473	90.0°	120.0°
H29	C29	C30	H301	0.0°	125.1°
H29	C29	C30	H302	0.0°	3.6°
H29	C29	C1	H1	NaN°	176.2°
H311	C31	C30	H301	0.0°	24.8°
H311	C31	C30	H302	0.0°	146.3°
H312	C31	C30	H301	0.0°	98.5°
H312	C31	C30	H302	0.0°	23.0°
H1	C1	C	HC1	0.0°	56.5°
H1	C1	C	HC2	0.0°	63.5°
H1	C1	C	HC3	0.0°	176.6°
H1	C1	C2	H21C	0.0°	65.1°
H1	C1	C2	H22C	0.0°	175.0°
HC1	C	HC2	HC3	90.0°	120.0°
H21C	C2	C3	H31C	0.0°	180.0°
H21C	C2	C3	H32C	0.0°	60.0°
H22C	C2	C3	H31C	0.0°	60.0°
H22C	C2	C3	H32C	0.0°	180.0°
H31C	C3	C4	H41C	0.0°	180.0°
H31C	C3	C4	H42C	0.0°	59.9°
H32C	C3	C4	H41C	0.0°	60.0°
H32C	C3	C4	H42C	0.0°	180.0°
H41C	C4	C5	H5	0.0°	65.0°
H42C	C4	C5	H5	0.0°	175.0°
H5	C5	C6	H61C	0.0°	180.0°
H5	C5	C6	H62C	0.0°	60.0°
H5	C5	C6	H63C	0.0°	60.0°
H61C	C6	H62C	H63C	90.0°	119.9°
H6P1	C6P	C7P	H7P1	90.0°	179.9°
H6P1	C6P	C7P	H7P2	90.0°	60.0°
H6P2	C6P	C7P	H7P1	90.0°	60.0°
H6P2	C6P	C7P	H7P2	90.0°	180.0°
H7P1	C7P	N8P	H8P	90.0°	120.0°
H7P2	C7P	N8P	H8P	90.0°	120.0°
HAP	CAP	OAP	HA	90.0°	179.9°
HDP1	CDP	HDP2	HDP3	90.0°	120.0°
HEP1	CEP	HEP2	HEP3	90.0°	120.0°
H5B1	C5B	C4B	H4B	90.0°	172.7°
H5B2	C5B	C4B	H4B	90.0°	67.2°
H4B	C4B	C3B	H3B	90.0°	146.2°
H3B	C3B	C2B	H2B	90.0°	0.1°
H2B	C2B	O2B	HB	90.0°	57.3°
H2B	C2B	C1B	H1B	90.0°	146.4°

Release date:	2016-10-05
Definition date:	2015-09-21
Last modified:	2016-09-30
Release status:	REL
Processing site:	EBI
Derived from:	5AQC