id	sid	tid	token	lemma	pos
3484zg66p0s	1	1	hmg	hmg	PROPN
3484zg66p0s	1	2	-	-	PUNCT
3484zg66p0s	1	3	coa	coa	NOUN
3484zg66p0s	1	4	reductase	reductase	NOUN
3484zg66p0s	1	5	catalyzes	catalyze	VERB
3484zg66p0s	1	6	the	the	DET
3484zg66p0s	1	7	four	four	NUM
3484zg66p0s	1	8	-	-	PUNCT
3484zg66p0s	1	9	electron	electron	NOUN
3484zg66p0s	1	10	reduction	reduction	NOUN
3484zg66p0s	1	11	of	of	ADP
3484zg66p0s	1	12	hmg	hmg	NOUN
3484zg66p0s	1	13	-	-	PUNCT
3484zg66p0s	1	14	coa	coa	NOUN
3484zg66p0s	1	15	to	to	PART
3484zg66p0s	1	16	mevalonate	mevalonate	VERB
3484zg66p0s	1	17	in	in	ADP
3484zg66p0s	1	18	the	the	DET
3484zg66p0s	1	19	biosynthetic	biosynthetic	ADJ
3484zg66p0s	1	20	pathway	pathway	NOUN
3484zg66p0s	1	21	for	for	ADP
3484zg66p0s	1	22	cholesterol	cholesterol	NOUN
3484zg66p0s	1	23	.	.	PUNCT
3484zg66p0s	2	1	the	the	DET
3484zg66p0s	2	2	enzyme	enzyme	NOUN
3484zg66p0s	2	3	is	be	AUX
3484zg66p0s	2	4	of	of	ADP
3484zg66p0s	2	5	considerable	considerable	ADJ
3484zg66p0s	2	6	biomedical	biomedical	ADJ
3484zg66p0s	2	7	relevance	relevance	NOUN
3484zg66p0s	2	8	because	because	SCONJ
3484zg66p0s	2	9	of	of	ADP
3484zg66p0s	2	10	the	the	DET
3484zg66p0s	2	11	public	public	ADJ
3484zg66p0s	2	12	health	health	NOUN
3484zg66p0s	2	13	impact	impact	NOUN
3484zg66p0s	2	14	of	of	ADP
3484zg66p0s	2	15	its	its	PRON
3484zg66p0s	2	16	inhibitors	inhibitor	NOUN
3484zg66p0s	2	17	called	call	VERB
3484zg66p0s	2	18	statins	statin	NOUN
3484zg66p0s	2	19	that	that	PRON
3484zg66p0s	2	20	are	be	AUX
3484zg66p0s	2	21	prescribed	prescribe	VERB
3484zg66p0s	2	22	to	to	PART
3484zg66p0s	2	23	control	control	VERB
3484zg66p0s	2	24	cholesterol	cholesterol	NOUN
3484zg66p0s	2	25	levels	level	NOUN
3484zg66p0s	2	26	and	and	CCONJ
3484zg66p0s	2	27	reduce	reduce	VERB
3484zg66p0s	2	28	the	the	DET
3484zg66p0s	2	29	risks	risk	NOUN
3484zg66p0s	2	30	associated	associate	VERB
3484zg66p0s	2	31	with	with	ADP
3484zg66p0s	2	32	coronary	coronary	ADJ
3484zg66p0s	2	33	heart	heart	NOUN
3484zg66p0s	2	34	disease	disease	NOUN
3484zg66p0s	2	35	.	.	PUNCT
3484zg66p0s	3	1	surprisingly	surprisingly	ADV
3484zg66p0s	3	2	,	,	PUNCT
3484zg66p0s	3	3	the	the	DET
3484zg66p0s	3	4	level	level	NOUN
3484zg66p0s	3	5	of	of	ADP
3484zg66p0s	3	6	mechanistic	mechanistic	ADJ
3484zg66p0s	3	7	understanding	understanding	NOUN
3484zg66p0s	3	8	of	of	ADP
3484zg66p0s	3	9	the	the	DET
3484zg66p0s	3	10	complex	complex	ADJ
3484zg66p0s	3	11	reaction	reaction	NOUN
3484zg66p0s	3	12	mechanism	mechanism	NOUN
3484zg66p0s	3	13	of	of	ADP
3484zg66p0s	3	14	hmg	hmg	PROPN
3484zg66p0s	3	15	-	-	PUNCT
3484zg66p0s	3	16	coa	coa	NOUN
3484zg66p0s	3	17	reductase	reductase	NOUN
3484zg66p0s	3	18	is	be	AUX
3484zg66p0s	3	19	not	not	PART
3484zg66p0s	3	20	commensurate	commensurate	ADJ
3484zg66p0s	3	21	with	with	ADP
3484zg66p0s	3	22	its	its	PRON
3484zg66p0s	3	23	importance	importance	NOUN
3484zg66p0s	3	24	.	.	PUNCT
3484zg66p0s	4	1	the	the	DET
3484zg66p0s	4	2	combination	combination	NOUN
3484zg66p0s	4	3	of	of	ADP
3484zg66p0s	4	4	x	x	NOUN
3484zg66p0s	4	5	-	-	NOUN
3484zg66p0s	4	6	ray	ray	NOUN
3484zg66p0s	4	7	crystallography	crystallography	NOUN
3484zg66p0s	4	8	and	and	CCONJ
3484zg66p0s	4	9	computational	computational	ADJ
3484zg66p0s	4	10	methods	method	NOUN
3484zg66p0s	4	11	,	,	PUNCT
3484zg66p0s	4	12	such	such	ADJ
3484zg66p0s	4	13	as	as	ADP
3484zg66p0s	4	14	theozyme	theozyme	PROPN
3484zg66p0s	4	15	and	and	CCONJ
3484zg66p0s	4	16	qm	qm	PROPN
3484zg66p0s	4	17	/	/	SYM
3484zg66p0s	4	18	mm	mm	NOUN
3484zg66p0s	4	19	models	model	NOUN
3484zg66p0s	4	20	,	,	PUNCT
3484zg66p0s	4	21	has	have	AUX
3484zg66p0s	4	22	allowed	allow	VERB
3484zg66p0s	4	23	a	a	DET
3484zg66p0s	4	24	more	more	ADV
3484zg66p0s	4	25	detailed	detailed	ADJ
3484zg66p0s	4	26	understanding	understanding	NOUN
3484zg66p0s	4	27	of	of	ADP
3484zg66p0s	4	28	the	the	DET
3484zg66p0s	4	29	mechanism	mechanism	NOUN
3484zg66p0s	4	30	for	for	ADP
3484zg66p0s	4	31	the	the	DET
3484zg66p0s	4	32	reaction	reaction	NOUN
3484zg66p0s	4	33	.	.	PUNCT
3484zg66p0s	5	1	the	the	DET
3484zg66p0s	5	2	models	model	NOUN
3484zg66p0s	5	3	predict	predict	VERB
3484zg66p0s	5	4	that	that	SCONJ
3484zg66p0s	5	5	the	the	DET
3484zg66p0s	5	6	catalytic	catalytic	ADJ
3484zg66p0s	5	7	residue	residue	NOUN
3484zg66p0s	5	8	,	,	PUNCT
3484zg66p0s	5	9	glu83	glu83	NOUN
3484zg66p0s	5	10	,	,	PUNCT
3484zg66p0s	5	11	is	be	AUX
3484zg66p0s	5	12	protonated	protonate	VERB
3484zg66p0s	5	13	prior	prior	ADV
3484zg66p0s	5	14	to	to	ADP
3484zg66p0s	5	15	the	the	DET
3484zg66p0s	5	16	reaction	reaction	NOUN
3484zg66p0s	5	17	,	,	PUNCT
3484zg66p0s	5	18	and	and	CCONJ
3484zg66p0s	5	19	the	the	DET
3484zg66p0s	5	20	resulting	result	VERB
3484zg66p0s	5	21	activation	activation	NOUN
3484zg66p0s	5	22	energies	energy	NOUN
3484zg66p0s	5	23	estimated	estimate	VERB
3484zg66p0s	5	24	for	for	ADP
3484zg66p0s	5	25	the	the	DET
3484zg66p0s	5	26	sequential	sequential	ADJ
3484zg66p0s	5	27	hydride	hydride	NOUN
3484zg66p0s	5	28	transfer	transfer	NOUN
3484zg66p0s	5	29	reactions	reaction	NOUN
3484zg66p0s	5	30	,	,	PUNCT
3484zg66p0s	5	31	21.8	21.8	NUM
3484zg66p0s	5	32	and	and	CCONJ
3484zg66p0s	5	33	19.3	19.3	NUM
3484zg66p0s	5	34	kcal	kcal	PROPN
3484zg66p0s	5	35	/	/	SYM
3484zg66p0s	5	36	mol	mol	PROPN
3484zg66p0s	5	37	,	,	PUNCT
3484zg66p0s	5	38	are	be	AUX
3484zg66p0s	5	39	in	in	ADP
3484zg66p0s	5	40	agreement	agreement	NOUN
3484zg66p0s	5	41	with	with	ADP
3484zg66p0s	5	42	the	the	DET
3484zg66p0s	5	43	experimentally	experimentally	ADV
3484zg66p0s	5	44	determined	determine	VERB
3484zg66p0s	5	45	rate	rate	NOUN
3484zg66p0s	5	46	constant	constant	ADJ
3484zg66p0s	5	47	.	.	PUNCT
3484zg66p0s	6	1	in	in	ADP
3484zg66p0s	6	2	addition	addition	NOUN
3484zg66p0s	6	3	to	to	ADP
3484zg66p0s	6	4	the	the	DET
3484zg66p0s	6	5	qm	qm	PROPN
3484zg66p0s	6	6	/	/	SYM
3484zg66p0s	6	7	mm	mm	NOUN
3484zg66p0s	6	8	models	model	NOUN
3484zg66p0s	6	9	for	for	ADP
3484zg66p0s	6	10	the	the	DET
3484zg66p0s	6	11	reaction	reaction	NOUN
3484zg66p0s	6	12	,	,	PUNCT
3484zg66p0s	6	13	quantum	quantum	NOUN
3484zg66p0s	6	14	-	-	PUNCT
3484zg66p0s	6	15	guided	guide	VERB
3484zg66p0s	6	16	molecular	molecular	ADJ
3484zg66p0s	6	17	mechanics	mechanic	NOUN
3484zg66p0s	6	18	(	(	PUNCT
3484zg66p0s	6	19	q2	q2	PROPN
3484zg66p0s	6	20	mm	mm	PROPN
3484zg66p0s	6	21	)	)	PUNCT
3484zg66p0s	6	22	transition	transition	NOUN
3484zg66p0s	6	23	state	state	NOUN
3484zg66p0s	6	24	force	force	NOUN
3484zg66p0s	6	25	fields	field	NOUN
3484zg66p0s	6	26	(	(	PUNCT
3484zg66p0s	6	27	tsff	tsff	NOUN
3484zg66p0s	6	28	)	)	PUNCT
3484zg66p0s	6	29	were	be	AUX
3484zg66p0s	6	30	developed	develop	VERB
3484zg66p0s	6	31	.	.	PUNCT
3484zg66p0s	7	1	the	the	DET
3484zg66p0s	7	2	tsffs	tsff	NOUN
3484zg66p0s	7	3	are	be	AUX
3484zg66p0s	7	4	not	not	PART
3484zg66p0s	7	5	only	only	ADV
3484zg66p0s	7	6	four	four	NUM
3484zg66p0s	7	7	orders	order	NOUN
3484zg66p0s	7	8	of	of	ADP
3484zg66p0s	7	9	magnitude	magnitude	NOUN
3484zg66p0s	7	10	faster	fast	ADV
3484zg66p0s	7	11	than	than	ADP
3484zg66p0s	7	12	qm	qm	PROPN
3484zg66p0s	7	13	/	/	SYM
3484zg66p0s	7	14	mm	mm	NOUN
3484zg66p0s	7	15	dynamics	dynamic	NOUN
3484zg66p0s	7	16	and	and	CCONJ
3484zg66p0s	7	17	therefore	therefore	ADV
3484zg66p0s	7	18	allow	allow	VERB
3484zg66p0s	7	19	for	for	ADP
3484zg66p0s	7	20	more	more	ADV
3484zg66p0s	7	21	complete	complete	ADJ
3484zg66p0s	7	22	sampling	sampling	NOUN
3484zg66p0s	7	23	of	of	ADP
3484zg66p0s	7	24	the	the	DET
3484zg66p0s	7	25	protein	protein	NOUN
3484zg66p0s	7	26	motions	motion	NOUN
3484zg66p0s	7	27	during	during	ADP
3484zg66p0s	7	28	the	the	DET
3484zg66p0s	7	29	reaction	reaction	NOUN
3484zg66p0s	7	30	,	,	PUNCT
3484zg66p0s	7	31	but	but	CCONJ
3484zg66p0s	7	32	also	also	ADV
3484zg66p0s	7	33	address	address	VERB
3484zg66p0s	7	34	the	the	DET
3484zg66p0s	7	35	problem	problem	NOUN
3484zg66p0s	7	36	of	of	ADP
3484zg66p0s	7	37	the	the	DET
3484zg66p0s	7	38	boundary	boundary	ADJ
3484zg66p0s	7	39	region	region	NOUN
3484zg66p0s	7	40	inherent	inherent	ADJ
3484zg66p0s	7	41	to	to	ADP
3484zg66p0s	7	42	all	all	DET
3484zg66p0s	7	43	qm	qm	NOUN
3484zg66p0s	7	44	/	/	SYM
3484zg66p0s	7	45	mm	mm	NOUN
3484zg66p0s	7	46	methods	method	NOUN
3484zg66p0s	7	47	by	by	ADP
3484zg66p0s	7	48	permitting	permit	VERB
3484zg66p0s	7	49	a	a	DET
3484zg66p0s	7	50	simulation	simulation	NOUN
3484zg66p0s	7	51	at	at	ADP
3484zg66p0s	7	52	a	a	DET
3484zg66p0s	7	53	consistent	consistent	ADJ
3484zg66p0s	7	54	level	level	NOUN
3484zg66p0s	7	55	.	.	PUNCT
3484zg66p0s	8	1	good	good	ADJ
3484zg66p0s	8	2	agreement	agreement	NOUN
3484zg66p0s	8	3	is	be	AUX
3484zg66p0s	8	4	observed	observe	VERB
3484zg66p0s	8	5	structurally	structurally	ADV
3484zg66p0s	8	6	between	between	ADP
3484zg66p0s	8	7	the	the	DET
3484zg66p0s	8	8	previously	previously	ADV
3484zg66p0s	8	9	mentioned	mention	VERB
3484zg66p0s	8	10	qm	qm	PROPN
3484zg66p0s	8	11	/	/	SYM
3484zg66p0s	8	12	mm	mm	NOUN
3484zg66p0s	8	13	models	model	NOUN
3484zg66p0s	8	14	and	and	CCONJ
3484zg66p0s	8	15	the	the	DET
3484zg66p0s	8	16	q2	q2	PROPN
3484zg66p0s	8	17	mm	mm	PROPN
3484zg66p0s	8	18	tsff	tsff	NOUN
3484zg66p0s	8	19	models	model	NOUN
3484zg66p0s	8	20	.	.	PUNCT
3484zg66p0s	9	1	in	in	ADP
3484zg66p0s	9	2	addition	addition	NOUN
3484zg66p0s	9	3	,	,	PUNCT
3484zg66p0s	9	4	molecular	molecular	ADJ
3484zg66p0s	9	5	dynamics	dynamic	NOUN
3484zg66p0s	9	6	simulations	simulation	NOUN
3484zg66p0s	9	7	with	with	ADP
3484zg66p0s	9	8	the	the	DET
3484zg66p0s	9	9	q2	q2	PROPN
3484zg66p0s	9	10	mm	mm	PROPN
3484zg66p0s	9	11	tsffs	tsff	NOUN
3484zg66p0s	9	12	are	be	AUX
3484zg66p0s	9	13	stable	stable	ADJ
3484zg66p0s	9	14	on	on	ADP
3484zg66p0s	9	15	relatively	relatively	ADV
3484zg66p0s	9	16	long	long	ADJ
3484zg66p0s	9	17	time	time	NOUN
3484zg66p0s	9	18	scales	scale	NOUN
3484zg66p0s	9	19	,	,	PUNCT
3484zg66p0s	9	20	~10	~10	PROPN
3484zg66p0s	9	21	ns	n	NOUN
3484zg66p0s	9	22	,	,	PUNCT
3484zg66p0s	9	23	and	and	CCONJ
3484zg66p0s	9	24	are	be	AUX
3484zg66p0s	9	25	useful	useful	ADJ
3484zg66p0s	9	26	for	for	ADP
3484zg66p0s	9	27	producing	produce	VERB
3484zg66p0s	9	28	an	an	DET
3484zg66p0s	9	29	ensemble	ensemble	NOUN
3484zg66p0s	9	30	of	of	ADP
3484zg66p0s	9	31	transition	transition	NOUN
3484zg66p0s	9	32	structures	structure	NOUN
3484zg66p0s	9	33	to	to	PART
3484zg66p0s	9	34	describe	describe	VERB
3484zg66p0s	9	35	the	the	DET
3484zg66p0s	9	36	reaction	reaction	NOUN
3484zg66p0s	9	37	.	.	PUNCT
3484zg66p0s	10	1	the	the	DET
3484zg66p0s	10	2	cross	cross	NOUN
3484zg66p0s	10	3	-	-	NOUN
3484zg66p0s	10	4	coupling	coupling	NOUN
3484zg66p0s	10	5	of	of	ADP
3484zg66p0s	10	6	sp2	sp2	NOUN
3484zg66p0s	10	7	centers	center	NOUN
3484zg66p0s	10	8	is	be	AUX
3484zg66p0s	10	9	an	an	DET
3484zg66p0s	10	10	important	important	ADJ
3484zg66p0s	10	11	process	process	NOUN
3484zg66p0s	10	12	for	for	ADP
3484zg66p0s	10	13	the	the	DET
3484zg66p0s	10	14	synthesis	synthesis	NOUN
3484zg66p0s	10	15	of	of	ADP
3484zg66p0s	10	16	biaryl	biaryl	NOUN
3484zg66p0s	10	17	groups	group	NOUN
3484zg66p0s	10	18	.	.	PUNCT
3484zg66p0s	11	1	hayashi	hayashi	PROPN
3484zg66p0s	11	2	and	and	CCONJ
3484zg66p0s	11	3	coworkers	coworker	NOUN
3484zg66p0s	11	4	recently	recently	ADV
3484zg66p0s	11	5	reported	report	VERB
3484zg66p0s	11	6	a	a	DET
3484zg66p0s	11	7	transition	transition	NOUN
3484zg66p0s	11	8	metal	metal	NOUN
3484zg66p0s	11	9	-	-	PUNCT
3484zg66p0s	11	10	free	free	ADJ
3484zg66p0s	11	11	method	method	NOUN
3484zg66p0s	11	12	for	for	ADP
3484zg66p0s	11	13	coupling	couple	VERB
3484zg66p0s	11	14	easily	easily	ADV
3484zg66p0s	11	15	accessible	accessible	ADJ
3484zg66p0s	11	16	aryl	aryl	PROPN
3484zg66p0s	11	17	grignard	grignard	NOUN
3484zg66p0s	11	18	reagents	reagent	NOUN
3484zg66p0s	11	19	and	and	CCONJ
3484zg66p0s	11	20	aryl	aryl	NOUN
3484zg66p0s	11	21	iodides	iodide	NOUN
3484zg66p0s	11	22	.	.	PUNCT
3484zg66p0s	12	1	the	the	DET
3484zg66p0s	12	2	reaction	reaction	NOUN
3484zg66p0s	12	3	involves	involve	VERB
3484zg66p0s	12	4	a	a	DET
3484zg66p0s	12	5	single	single	ADJ
3484zg66p0s	12	6	electron	electron	NOUN
3484zg66p0s	12	7	transfer	transfer	NOUN
3484zg66p0s	12	8	and	and	CCONJ
3484zg66p0s	12	9	was	be	AUX
3484zg66p0s	12	10	originally	originally	ADV
3484zg66p0s	12	11	classified	classify	VERB
3484zg66p0s	12	12	as	as	ADP
3484zg66p0s	12	13	a	a	DET
3484zg66p0s	12	14	nucleophilic	nucleophilic	ADJ
3484zg66p0s	12	15	radical	radical	ADJ
3484zg66p0s	12	16	substitution	substitution	NOUN
3484zg66p0s	12	17	(	(	PUNCT
3484zg66p0s	12	18	srn1	srn1	NOUN
3484zg66p0s	12	19	)	)	PUNCT
3484zg66p0s	12	20	reaction	reaction	NOUN
3484zg66p0s	12	21	until	until	ADP
3484zg66p0s	12	22	radical	radical	ADJ
3484zg66p0s	12	23	clock	clock	NOUN
3484zg66p0s	12	24	experiments	experiment	NOUN
3484zg66p0s	12	25	suggested	suggest	VERB
3484zg66p0s	12	26	that	that	SCONJ
3484zg66p0s	12	27	there	there	PRON
3484zg66p0s	12	28	is	be	VERB
3484zg66p0s	12	29	no	no	DET
3484zg66p0s	12	30	radical	radical	ADJ
3484zg66p0s	12	31	intermediate	intermediate	ADJ
3484zg66p0s	12	32	.	.	PUNCT
3484zg66p0s	13	1	dft	dft	NOUN
3484zg66p0s	13	2	calculations	calculation	NOUN
3484zg66p0s	13	3	predict	predict	VERB
3484zg66p0s	13	4	the	the	DET
3484zg66p0s	13	5	formation	formation	NOUN
3484zg66p0s	13	6	of	of	ADP
3484zg66p0s	13	7	an	an	DET
3484zg66p0s	13	8	mg	mg	NOUN
3484zg66p0s	13	9	-	-	PUNCT
3484zg66p0s	13	10	radical	radical	ADJ
3484zg66p0s	13	11	ion	ion	NOUN
3484zg66p0s	13	12	pair	pair	NOUN
3484zg66p0s	13	13	that	that	PRON
3484zg66p0s	13	14	reacts	react	VERB
3484zg66p0s	13	15	towards	towards	ADP
3484zg66p0s	13	16	products	product	NOUN
3484zg66p0s	13	17	faster	fast	ADV
3484zg66p0s	13	18	than	than	ADP
3484zg66p0s	13	19	the	the	DET
3484zg66p0s	13	20	rate	rate	NOUN
3484zg66p0s	13	21	of	of	ADP
3484zg66p0s	13	22	the	the	DET
3484zg66p0s	13	23	radical	radical	ADJ
3484zg66p0s	13	24	clock	clock	NOUN
3484zg66p0s	13	25	reaction	reaction	NOUN
3484zg66p0s	13	26	.	.	PUNCT
3484zg66p0s	14	1	based	base	VERB
3484zg66p0s	14	2	on	on	ADP
3484zg66p0s	14	3	these	these	DET
3484zg66p0s	14	4	results	result	NOUN
3484zg66p0s	14	5	a	a	DET
3484zg66p0s	14	6	novel	novel	ADJ
3484zg66p0s	14	7	variation	variation	NOUN
3484zg66p0s	14	8	of	of	ADP
3484zg66p0s	14	9	the	the	DET
3484zg66p0s	14	10	srn1	srn1	NOUN
3484zg66p0s	14	11	mechanism	mechanism	NOUN
3484zg66p0s	14	12	is	be	AUX
3484zg66p0s	14	13	proposed	propose	VERB
3484zg66p0s	14	14	for	for	ADP
3484zg66p0s	14	15	this	this	DET
3484zg66p0s	14	16	reaction	reaction	NOUN
3484zg66p0s	14	17	that	that	PRON
3484zg66p0s	14	18	is	be	AUX
3484zg66p0s	14	19	consistent	consistent	ADJ
3484zg66p0s	14	20	with	with	ADP
3484zg66p0s	14	21	the	the	DET
3484zg66p0s	14	22	available	available	ADJ
3484zg66p0s	14	23	experimental	experimental	ADJ
3484zg66p0s	14	24	results	result	NOUN
3484zg66p0s	14	25	.	.	PUNCT