id	sid	tid	token	lemma	pos
bibechana-70126	1	1	bibechana	bibechana	PROPN
bibechana-70126	1	2	vol	vol	NOUN
bibechana-70126	1	3	.	.	PROPN
bibechana-70126	2	1	22	22	NUM
bibechana-70126	2	2	,	,	PUNCT
bibechana-70126	2	3	no	no	INTJ
bibechana-70126	2	4	.	.	NOUN
bibechana-70126	2	5	1	1	NUM
bibechana-70126	2	6	,	,	PUNCT
bibechana-70126	2	7	april	april	PROPN
bibechana-70126	2	8	2025	2025	NUM
bibechana-70126	2	9	,	,	PUNCT
bibechana-70126	2	10	1	1	NUM
bibechana-70126	2	11	-	-	SYM
bibechana-70126	2	12	14	14	NUM
bibechana-70126	2	13	issn	issn	PROPN
bibechana-70126	2	14	2091	2091	NUM
bibechana-70126	2	15	-	-	SYM
bibechana-70126	2	16	0762	0762	NUM
bibechana-70126	2	17	(	(	PUNCT
bibechana-70126	2	18	print	print	NOUN
bibechana-70126	2	19	)	)	PUNCT
bibechana-70126	2	20	,	,	PUNCT
bibechana-70126	2	21	2382	2382	NUM
bibechana-70126	2	22	-	-	SYM
bibechana-70126	2	23	5340	5340	NUM
bibechana-70126	2	24	(	(	PUNCT
bibechana-70126	2	25	online	online	ADJ
bibechana-70126	2	26	)	)	PUNCT
bibechana-70126	2	27	journal	journal	NOUN
bibechana-70126	2	28	homepage	homepage	NOUN
bibechana-70126	2	29	:	:	PUNCT
bibechana-70126	2	30	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-70126	2	31	publisher	publisher	NOUN
bibechana-70126	2	32	:	:	PUNCT
bibechana-70126	2	33	dept	dept	NOUN
bibechana-70126	2	34	.	.	PROPN
bibechana-70126	2	35	of	of	ADP
bibechana-70126	2	36	phys	phy	NOUN
bibechana-70126	2	37	.	.	PUNCT
bibechana-70126	2	38	,	,	PUNCT
bibechana-70126	2	39	mahendra	mahendra	PROPN
bibechana-70126	2	40	morang	morang	PROPN
bibechana-70126	2	41	a.	a.	PROPN
bibechana-70126	2	42	m.	m.	PROPN
bibechana-70126	2	43	campus	campus	PROPN
bibechana-70126	2	44	(	(	PUNCT
bibechana-70126	2	45	tribhuvan	tribhuvan	NOUN
bibechana-70126	2	46	university)biratnagar	university)biratnagar	NUM
bibechana-70126	2	47	computational	computational	ADJ
bibechana-70126	2	48	evaluation	evaluation	NOUN
bibechana-70126	2	49	on	on	ADP
bibechana-70126	2	50	spectroscopic	spectroscopic	NOUN
bibechana-70126	2	51	(	(	PUNCT
bibechana-70126	2	52	ft	ft	NOUN
bibechana-70126	2	53	-	-	PUNCT
bibechana-70126	2	54	ir	ir	PROPN
bibechana-70126	2	55	,	,	PUNCT
bibechana-70126	2	56	raman	raman	NOUN
bibechana-70126	2	57	)	)	PUNCT
bibechana-70126	2	58	,	,	PUNCT
bibechana-70126	2	59	electronic	electronic	ADJ
bibechana-70126	2	60	,	,	PUNCT
bibechana-70126	2	61	biological	biological	ADJ
bibechana-70126	2	62	,	,	PUNCT
bibechana-70126	2	63	and	and	CCONJ
bibechana-70126	2	64	nlo	nlo	PROPN
bibechana-70126	2	65	properties	property	NOUN
bibechana-70126	2	66	of	of	ADP
bibechana-70126	2	67	cirsilineol	cirsilineol	NOUN
bibechana-70126	2	68	by	by	ADP
bibechana-70126	2	69	dft	dft	PROPN
bibechana-70126	2	70	,	,	PUNCT
bibechana-70126	2	71	admet	admet	NOUN
bibechana-70126	2	72	,	,	PUNCT
bibechana-70126	2	73	and	and	CCONJ
bibechana-70126	2	74	molecular	molecular	ADJ
bibechana-70126	2	75	docking	docking	NOUN
bibechana-70126	2	76	method	method	NOUN
bibechana-70126	2	77	tirth	tirth	NOUN
bibechana-70126	2	78	raj	raj	PROPN
bibechana-70126	2	79	paneru1,4	paneru1,4	PROPN
bibechana-70126	2	80	,	,	PUNCT
bibechana-70126	2	81	poonam	poonam	PROPN
bibechana-70126	2	82	tandon2	tandon2	PROPN
bibechana-70126	2	83	,	,	PUNCT
bibechana-70126	2	84	bhawani	bhawani	PROPN
bibechana-70126	2	85	datt	datt	PROPN
bibechana-70126	2	86	joshi3,∗	joshi3,∗	PROPN
bibechana-70126	3	1	1department	1department	NUM
bibechana-70126	3	2	of	of	ADP
bibechana-70126	3	3	general	general	ADJ
bibechana-70126	3	4	science	science	NOUN
bibechana-70126	3	5	,	,	PUNCT
bibechana-70126	3	6	far	far	ADV
bibechana-70126	3	7	western	western	ADJ
bibechana-70126	3	8	university	university	NOUN
bibechana-70126	3	9	,	,	PUNCT
bibechana-70126	3	10	kanchanpur	kanchanpur	NOUN
bibechana-70126	3	11	,	,	PUNCT
bibechana-70126	3	12	nepal	nepal	PROPN
bibechana-70126	3	13	2department	2department	NUM
bibechana-70126	3	14	of	of	ADP
bibechana-70126	3	15	physics	physics	PROPN
bibechana-70126	3	16	,	,	PUNCT
bibechana-70126	3	17	university	university	PROPN
bibechana-70126	3	18	of	of	ADP
bibechana-70126	3	19	lucknow	lucknow	PROPN
bibechana-70126	3	20	,	,	PUNCT
bibechana-70126	3	21	lucknow-226007	lucknow-226007	PROPN
bibechana-70126	3	22	,	,	PUNCT
bibechana-70126	3	23	india	india	PROPN
bibechana-70126	3	24	3department	3department	PROPN
bibechana-70126	3	25	of	of	ADP
bibechana-70126	3	26	physics	physics	PROPN
bibechana-70126	3	27	,	,	PUNCT
bibechana-70126	3	28	siddhanath	siddhanath	NOUN
bibechana-70126	3	29	science	science	PROPN
bibechana-70126	3	30	campus	campus	PROPN
bibechana-70126	3	31	,	,	PUNCT
bibechana-70126	3	32	tribhuvan	tribhuvan	PROPN
bibechana-70126	3	33	university	university	PROPN
bibechana-70126	3	34	,	,	PUNCT
bibechana-70126	3	35	mahendranagar	mahendranagar	NOUN
bibechana-70126	3	36	,	,	PUNCT
bibechana-70126	3	37	10400	10400	NUM
bibechana-70126	3	38	,	,	PUNCT
bibechana-70126	3	39	nepal	nepal	ADJ
bibechana-70126	3	40	4central	4central	PROPN
bibechana-70126	3	41	department	department	NOUN
bibechana-70126	3	42	of	of	ADP
bibechana-70126	3	43	physics	physics	PROPN
bibechana-70126	3	44	,	,	PUNCT
bibechana-70126	3	45	tribhuvan	tribhuvan	PROPN
bibechana-70126	3	46	university	university	PROPN
bibechana-70126	3	47	,	,	PUNCT
bibechana-70126	3	48	kirtipur	kirtipur	NOUN
bibechana-70126	3	49	,	,	PUNCT
bibechana-70126	3	50	kathmandu	kathmandu	NOUN
bibechana-70126	3	51	,	,	PUNCT
bibechana-70126	3	52	nepal	nepal	ADJ
bibechana-70126	3	53	∗corresponding	∗corresponde	VERB
bibechana-70126	3	54	author	author	NOUN
bibechana-70126	3	55	.	.	PUNCT
bibechana-70126	4	1	email	email	NOUN
bibechana-70126	4	2	:	:	PUNCT
bibechana-70126	4	3	bhawani.joshi@snsc.tu.edu.np	bhawani.joshi@snsc.tu.edu.np	PROPN
bibechana-70126	4	4	abstract	abstract	ADJ
bibechana-70126	4	5	cirsilineol	cirsilineol	NOUN
bibechana-70126	4	6	is	be	AUX
bibechana-70126	4	7	a	a	DET
bibechana-70126	4	8	natural	natural	ADJ
bibechana-70126	4	9	product	product	NOUN
bibechana-70126	4	10	that	that	PRON
bibechana-70126	4	11	has	have	VERB
bibechana-70126	4	12	pharmacological	pharmacological	ADJ
bibechana-70126	4	13	characteristics	characteristic	NOUN
bibechana-70126	4	14	and	and	CCONJ
bibechana-70126	4	15	is	be	AUX
bibechana-70126	4	16	used	use	VERB
bibechana-70126	4	17	to	to	PART
bibechana-70126	4	18	prevent	prevent	VERB
bibechana-70126	4	19	the	the	DET
bibechana-70126	4	20	growth	growth	NOUN
bibechana-70126	4	21	of	of	ADP
bibechana-70126	4	22	cancer	cancer	NOUN
bibechana-70126	4	23	.	.	PUNCT
bibechana-70126	5	1	this	this	DET
bibechana-70126	5	2	study	study	NOUN
bibechana-70126	5	3	aims	aim	VERB
bibechana-70126	5	4	to	to	PART
bibechana-70126	5	5	investigate	investigate	VERB
bibechana-70126	5	6	the	the	DET
bibechana-70126	5	7	spectroscopic	spectroscopic	NOUN
bibechana-70126	5	8	,	,	PUNCT
bibechana-70126	5	9	electronic	electronic	ADJ
bibechana-70126	5	10	,	,	PUNCT
bibechana-70126	5	11	and	and	CCONJ
bibechana-70126	5	12	biological	biological	ADJ
bibechana-70126	5	13	properties	property	NOUN
bibechana-70126	5	14	of	of	ADP
bibechana-70126	5	15	drugs	drug	NOUN
bibechana-70126	5	16	and	and	CCONJ
bibechana-70126	5	17	predict	predict	VERB
bibechana-70126	5	18	their	their	PRON
bibechana-70126	5	19	suitability	suitability	NOUN
bibechana-70126	5	20	for	for	ADP
bibechana-70126	5	21	drug	drug	NOUN
bibechana-70126	5	22	-	-	PUNCT
bibechana-70126	5	23	like	like	ADJ
bibechana-70126	5	24	candidates	candidate	NOUN
bibechana-70126	5	25	to	to	PART
bibechana-70126	5	26	inhibit	inhibit	VERB
bibechana-70126	5	27	prostate	prostate	NOUN
bibechana-70126	5	28	cancer	cancer	NOUN
bibechana-70126	5	29	.	.	PUNCT
bibechana-70126	6	1	the	the	DET
bibechana-70126	6	2	computational	computational	ADJ
bibechana-70126	6	3	evaluation	evaluation	NOUN
bibechana-70126	6	4	was	be	AUX
bibechana-70126	6	5	performed	perform	VERB
bibechana-70126	6	6	with	with	ADP
bibechana-70126	6	7	density	density	NOUN
bibechana-70126	6	8	functional	functional	ADJ
bibechana-70126	6	9	theory	theory	NOUN
bibechana-70126	6	10	(	(	PUNCT
bibechana-70126	6	11	dft	dft	PROPN
bibechana-70126	6	12	)	)	PUNCT
bibechana-70126	6	13	at	at	ADP
bibechana-70126	6	14	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	6	15	-	-	NOUN
bibechana-70126	6	16	311++g(d	311++g(d	ADJ
bibechana-70126	6	17	,	,	PUNCT
bibechana-70126	6	18	p	p	NOUN
bibechana-70126	6	19	)	)	PUNCT
bibechana-70126	6	20	level	level	NOUN
bibechana-70126	6	21	of	of	ADP
bibechana-70126	6	22	theory	theory	NOUN
bibechana-70126	6	23	and	and	CCONJ
bibechana-70126	6	24	drug	drug	NOUN
bibechana-70126	6	25	-	-	PUNCT
bibechana-70126	6	26	like	like	ADJ
bibechana-70126	6	27	characteristics	characteristic	NOUN
bibechana-70126	6	28	rendered	render	VERB
bibechana-70126	6	29	from	from	ADP
bibechana-70126	6	30	admet	admet	PROPN
bibechana-70126	6	31	analysis	analysis	NOUN
bibechana-70126	6	32	.	.	PUNCT
bibechana-70126	7	1	spectral	spectral	ADJ
bibechana-70126	7	2	measurement	measurement	NOUN
bibechana-70126	7	3	for	for	ADP
bibechana-70126	7	4	ir	ir	PROPN
bibechana-70126	7	5	and	and	CCONJ
bibechana-70126	7	6	raman	raman	NOUN
bibechana-70126	7	7	provided	provide	VERB
bibechana-70126	7	8	evidence	evidence	NOUN
bibechana-70126	7	9	of	of	ADP
bibechana-70126	7	10	intramolecular	intramolecular	ADJ
bibechana-70126	7	11	hydrogen	hydrogen	NOUN
bibechana-70126	7	12	bonding	bonding	NOUN
bibechana-70126	7	13	of	of	ADP
bibechana-70126	7	14	the	the	DET
bibechana-70126	7	15	oh	oh	PROPN
bibechana-70126	7	16	group	group	NOUN
bibechana-70126	7	17	in	in	ADP
bibechana-70126	7	18	ring	ring	NOUN
bibechana-70126	7	19	r1	r1	PROPN
bibechana-70126	7	20	.	.	PUNCT
bibechana-70126	8	1	the	the	DET
bibechana-70126	8	2	electronic	electronic	ADJ
bibechana-70126	8	3	transition	transition	NOUN
bibechana-70126	8	4	properties	property	NOUN
bibechana-70126	8	5	of	of	ADP
bibechana-70126	8	6	the	the	DET
bibechana-70126	8	7	title	title	NOUN
bibechana-70126	8	8	compound	compound	NOUN
bibechana-70126	8	9	were	be	AUX
bibechana-70126	8	10	determined	determine	VERB
bibechana-70126	8	11	using	use	VERB
bibechana-70126	8	12	td	td	NOUN
bibechana-70126	8	13	-	-	PUNCT
bibechana-70126	8	14	dft	dft	NOUN
bibechana-70126	8	15	with	with	ADP
bibechana-70126	8	16	a	a	DET
bibechana-70126	8	17	polarized	polarize	VERB
bibechana-70126	8	18	continuum	continuum	ADJ
bibechana-70126	8	19	model	model	NOUN
bibechana-70126	8	20	in	in	ADP
bibechana-70126	8	21	solvent	solvent	ADJ
bibechana-70126	8	22	ethanol	ethanol	NOUN
bibechana-70126	8	23	,	,	PUNCT
bibechana-70126	8	24	resulting	result	VERB
bibechana-70126	8	25	in	in	ADP
bibechana-70126	8	26	a	a	DET
bibechana-70126	8	27	blue	blue	ADJ
bibechana-70126	8	28	shift	shift	NOUN
bibechana-70126	8	29	in	in	ADP
bibechana-70126	8	30	absorption	absorption	NOUN
bibechana-70126	8	31	wavelength	wavelength	NOUN
bibechana-70126	8	32	.	.	PUNCT
bibechana-70126	9	1	the	the	DET
bibechana-70126	9	2	electrostatic	electrostatic	ADJ
bibechana-70126	9	3	potential	potential	NOUN
bibechana-70126	9	4	mapped	map	VERB
bibechana-70126	9	5	with	with	ADP
bibechana-70126	9	6	the	the	DET
bibechana-70126	9	7	van	van	PROPN
bibechana-70126	9	8	der	der	PROPN
bibechana-70126	9	9	wall	wall	PROPN
bibechana-70126	9	10	surface	surface	PROPN
bibechana-70126	9	11	predicted	predict	VERB
bibechana-70126	9	12	effective	effective	ADJ
bibechana-70126	9	13	electrophiles	electrophile	NOUN
bibechana-70126	9	14	and	and	CCONJ
bibechana-70126	9	15	nucleophiles	nucleophile	NOUN
bibechana-70126	9	16	,	,	PUNCT
bibechana-70126	9	17	allowing	allow	VERB
bibechana-70126	9	18	for	for	ADP
bibechana-70126	9	19	the	the	DET
bibechana-70126	9	20	layout	layout	NOUN
bibechana-70126	9	21	of	of	ADP
bibechana-70126	9	22	intraand	intraand	NOUN
bibechana-70126	9	23	intermolecular	intermolecular	ADJ
bibechana-70126	9	24	hydrogen	hydrogen	NOUN
bibechana-70126	9	25	bonds	bond	NOUN
bibechana-70126	9	26	.	.	PUNCT
bibechana-70126	10	1	the	the	DET
bibechana-70126	10	2	pharmacological	pharmacological	ADJ
bibechana-70126	10	3	properties	property	NOUN
bibechana-70126	10	4	of	of	ADP
bibechana-70126	10	5	cirsilineol	cirsilineol	NOUN
bibechana-70126	10	6	determined	determine	VERB
bibechana-70126	10	7	by	by	ADP
bibechana-70126	10	8	admed	admed	ADJ
bibechana-70126	10	9	analysis	analysis	NOUN
bibechana-70126	10	10	confirmed	confirm	VERB
bibechana-70126	10	11	that	that	SCONJ
bibechana-70126	10	12	it	it	PRON
bibechana-70126	10	13	is	be	AUX
bibechana-70126	10	14	non	non	ADJ
bibechana-70126	10	15	-	-	ADJ
bibechana-70126	10	16	toxic	toxic	ADJ
bibechana-70126	10	17	.	.	PUNCT
bibechana-70126	11	1	to	to	PART
bibechana-70126	11	2	assess	assess	VERB
bibechana-70126	11	3	the	the	DET
bibechana-70126	11	4	biological	biological	ADJ
bibechana-70126	11	5	performance	performance	NOUN
bibechana-70126	11	6	of	of	ADP
bibechana-70126	11	7	cirsilineol	cirsilineol	NOUN
bibechana-70126	11	8	,	,	PUNCT
bibechana-70126	11	9	molecular	molecular	ADJ
bibechana-70126	11	10	docking	docking	NOUN
bibechana-70126	11	11	was	be	AUX
bibechana-70126	11	12	performed	perform	VERB
bibechana-70126	11	13	with	with	ADP
bibechana-70126	11	14	protein	protein	NOUN
bibechana-70126	11	15	codes	code	NOUN
bibechana-70126	11	16	1e3	1e3	NUM
bibechana-70126	11	17	g	g	NOUN
bibechana-70126	11	18	and	and	CCONJ
bibechana-70126	11	19	1gs4	1gs4	NUM
bibechana-70126	11	20	,	,	PUNCT
bibechana-70126	11	21	which	which	PRON
bibechana-70126	11	22	showed	show	VERB
bibechana-70126	11	23	inhibition	inhibition	NOUN
bibechana-70126	11	24	action	action	NOUN
bibechana-70126	11	25	with	with	ADP
bibechana-70126	11	26	binding	bind	VERB
bibechana-70126	11	27	affinity	affinity	NOUN
bibechana-70126	11	28	-7.7	-7.7	PUNCT
bibechana-70126	11	29	and	and	CCONJ
bibechana-70126	11	30	-7.8	-7.8	PROPN
bibechana-70126	11	31	kcal	kcal	PROPN
bibechana-70126	11	32	/	/	SYM
bibechana-70126	11	33	mol	mol	NOUN
bibechana-70126	11	34	,	,	PUNCT
bibechana-70126	11	35	respectively	respectively	ADV
bibechana-70126	11	36	.	.	PUNCT
bibechana-70126	12	1	keywords	keyword	VERB
bibechana-70126	12	2	cirsilineol	cirsilineol	NOUN
bibechana-70126	12	3	,	,	PUNCT
bibechana-70126	12	4	vibrational	vibrational	ADJ
bibechana-70126	12	5	spectra	spectra	NOUN
bibechana-70126	12	6	,	,	PUNCT
bibechana-70126	12	7	electrostatic	electrostatic	ADJ
bibechana-70126	12	8	potential	potential	NOUN
bibechana-70126	12	9	,	,	PUNCT
bibechana-70126	12	10	admet	admet	PROPN
bibechana-70126	12	11	,	,	PUNCT
bibechana-70126	12	12	van	van	PROPN
bibechana-70126	12	13	der	der	NOUN
bibechana-70126	12	14	waals	waal	NOUN
bibechana-70126	12	15	surface	surface	VERB
bibechana-70126	12	16	,	,	PUNCT
bibechana-70126	12	17	uv	uv	NOUN
bibechana-70126	12	18	-	-	PUNCT
bibechana-70126	12	19	vis	vis	X
bibechana-70126	12	20	spectra	spectra	PROPN
bibechana-70126	12	21	.	.	PUNCT
bibechana-70126	13	1	article	article	PROPN
bibechana-70126	13	2	information	information	PROPN
bibechana-70126	13	3	manuscript	manuscript	PROPN
bibechana-70126	13	4	received	receive	VERB
bibechana-70126	13	5	:	:	PUNCT
bibechana-70126	13	6	september	september	PROPN
bibechana-70126	13	7	25	25	NUM
bibechana-70126	13	8	,	,	PUNCT
bibechana-70126	13	9	2024	2024	NUM
bibechana-70126	13	10	;	;	PUNCT
bibechana-70126	13	11	revised	revise	VERB
bibechana-70126	13	12	:	:	PUNCT
bibechana-70126	13	13	december	december	PROPN
bibechana-70126	13	14	7	7	NUM
bibechana-70126	13	15	,	,	PUNCT
bibechana-70126	13	16	2024	2024	NUM
bibechana-70126	13	17	;	;	PUNCT
bibechana-70126	13	18	accepted	accept	VERB
bibechana-70126	13	19	:	:	PUNCT
bibechana-70126	13	20	december	december	PROPN
bibechana-70126	13	21	21	21	NUM
bibechana-70126	13	22	,	,	PUNCT
bibechana-70126	13	23	2024	2024	NUM
bibechana-70126	13	24	doi	doi	NOUN
bibechana-70126	13	25	https://doi.org/10.3126/bibechana.v22i1.70126	https://doi.org/10.3126/bibechana.v22i1.70126	NOUN
bibechana-70126	13	26	this	this	DET
bibechana-70126	13	27	work	work	NOUN
bibechana-70126	13	28	is	be	AUX
bibechana-70126	13	29	licensed	license	VERB
bibechana-70126	13	30	under	under	ADP
bibechana-70126	13	31	the	the	DET
bibechana-70126	13	32	creative	creative	ADJ
bibechana-70126	13	33	commons	common	NOUN
bibechana-70126	13	34	cc	cc	ADP
bibechana-70126	13	35	by	by	ADP
bibechana-70126	13	36	-	-	PUNCT
bibechana-70126	13	37	nc	nc	NOUN
bibechana-70126	13	38	license	license	NOUN
bibechana-70126	13	39	.	.	PUNCT
bibechana-70126	14	1	https://creativecommons	https://creativecommon	NOUN
bibechana-70126	14	2	.	.	PUNCT
bibechana-70126	14	3	org	org	ADJ
bibechana-70126	14	4	/	/	SYM
bibechana-70126	14	5	licenses	license	NOUN
bibechana-70126	14	6	/	/	SYM
bibechana-70126	14	7	by	by	ADP
bibechana-70126	14	8	-	-	PUNCT
bibechana-70126	14	9	nc/4.0/	nc/4.0/	NOUN
bibechana-70126	14	10	1	1	NUM
bibechana-70126	14	11	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	NOUN
bibechana-70126	14	12	bhawani.joshi@snsc.tu.edu.np	bhawani.joshi@snsc.tu.edu.np	PROPN
bibechana-70126	14	13	https://doi.org/10.3126/bibechana.v22i1.70126	https://doi.org/10.3126/bibechana.v22i1.70126	VERB
bibechana-70126	14	14	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PRON
bibechana-70126	14	15	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	NOUN
bibechana-70126	14	16	tirth	tirth	NOUN
bibechana-70126	14	17	raj	raj	PROPN
bibechana-70126	14	18	paneru	paneru	PROPN
bibechana-70126	14	19	et	et	PROPN
bibechana-70126	14	20	al./	al./	ADV
bibechana-70126	14	21	bibechana	bibechana	PROPN
bibechana-70126	14	22	22	22	NUM
bibechana-70126	14	23	(	(	PUNCT
bibechana-70126	14	24	2025	2025	NUM
bibechana-70126	14	25	)	)	PUNCT
bibechana-70126	14	26	1	1	NUM
bibechana-70126	14	27	-	-	SYM
bibechana-70126	14	28	14	14	NUM
bibechana-70126	14	29	2	2	NUM
bibechana-70126	14	30	1	1	NUM
bibechana-70126	14	31	introduction	introduction	NOUN
bibechana-70126	14	32	plant	plant	NOUN
bibechana-70126	14	33	-	-	PUNCT
bibechana-70126	14	34	derived	derive	VERB
bibechana-70126	14	35	products	product	NOUN
bibechana-70126	14	36	have	have	VERB
bibechana-70126	14	37	pharmacological	pharmacological	ADJ
bibechana-70126	14	38	characteristics	characteristic	NOUN
bibechana-70126	14	39	,	,	PUNCT
bibechana-70126	14	40	so	so	SCONJ
bibechana-70126	14	41	they	they	PRON
bibechana-70126	14	42	have	have	AUX
bibechana-70126	14	43	been	be	AUX
bibechana-70126	14	44	used	use	VERB
bibechana-70126	14	45	as	as	ADP
bibechana-70126	14	46	medications	medication	NOUN
bibechana-70126	14	47	for	for	ADP
bibechana-70126	14	48	various	various	ADJ
bibechana-70126	14	49	types	type	NOUN
bibechana-70126	14	50	of	of	ADP
bibechana-70126	14	51	diseases	disease	NOUN
bibechana-70126	14	52	without	without	ADP
bibechana-70126	14	53	harmful	harmful	ADJ
bibechana-70126	14	54	effects	effect	NOUN
bibechana-70126	14	55	to	to	ADP
bibechana-70126	14	56	the	the	DET
bibechana-70126	14	57	normal	normal	ADJ
bibechana-70126	14	58	cells	cell	NOUN
bibechana-70126	14	59	in	in	ADP
bibechana-70126	14	60	body	body	NOUN
bibechana-70126	14	61	[	[	X
bibechana-70126	14	62	1	1	NUM
bibechana-70126	14	63	]	]	PUNCT
bibechana-70126	14	64	.	.	PUNCT
bibechana-70126	15	1	flavonoids	flavonoid	NOUN
bibechana-70126	15	2	are	be	AUX
bibechana-70126	15	3	pharmacologically	pharmacologically	ADV
bibechana-70126	15	4	significant	significant	ADJ
bibechana-70126	15	5	phytochemical	phytochemical	ADJ
bibechana-70126	15	6	compounds	compound	NOUN
bibechana-70126	15	7	found	find	VERB
bibechana-70126	15	8	in	in	ADP
bibechana-70126	15	9	fruits	fruit	NOUN
bibechana-70126	15	10	vegetables	vegetable	NOUN
bibechana-70126	15	11	,	,	PUNCT
bibechana-70126	15	12	and	and	CCONJ
bibechana-70126	15	13	plant	plant	NOUN
bibechana-70126	15	14	leaves	leave	VERB
bibechana-70126	15	15	[	[	X
bibechana-70126	15	16	2	2	NUM
bibechana-70126	15	17	]	]	PUNCT
bibechana-70126	15	18	.	.	PUNCT
bibechana-70126	16	1	the	the	DET
bibechana-70126	16	2	plant	plant	NOUN
bibechana-70126	16	3	artemisia	artemisia	NOUN
bibechana-70126	16	4	vestita	vestita	PROPN
bibechana-70126	16	5	was	be	AUX
bibechana-70126	16	6	used	use	VERB
bibechana-70126	16	7	in	in	ADP
bibechana-70126	16	8	traditional	traditional	ADJ
bibechana-70126	16	9	chinese	chinese	ADJ
bibechana-70126	16	10	and	and	CCONJ
bibechana-70126	16	11	tibetan	tibetan	ADJ
bibechana-70126	16	12	medicine	medicine	NOUN
bibechana-70126	16	13	for	for	ADP
bibechana-70126	16	14	joint	joint	ADJ
bibechana-70126	16	15	pain	pain	NOUN
bibechana-70126	16	16	and	and	CCONJ
bibechana-70126	16	17	inflammatory	inflammatory	ADJ
bibechana-70126	16	18	disease	disease	NOUN
bibechana-70126	16	19	,	,	PUNCT
bibechana-70126	16	20	which	which	PRON
bibechana-70126	16	21	produces	produce	VERB
bibechana-70126	16	22	cirsilineol	cirsilineol	NOUN
bibechana-70126	16	23	,	,	PUNCT
bibechana-70126	16	24	also	also	ADV
bibechana-70126	16	25	known	know	VERB
bibechana-70126	16	26	as	as	ADP
bibechana-70126	16	27	4,5	4,5	NUM
bibechana-70126	16	28	-	-	PUNCT
bibechana-70126	16	29	dihydroxy-3,6,7	dihydroxy-3,6,7	NOUN
bibechana-70126	16	30	-	-	PUNCT
bibechana-70126	16	31	trimethoxyflavone	trimethoxyflavone	NOUN
bibechana-70126	16	32	and	and	CCONJ
bibechana-70126	16	33	has	have	VERB
bibechana-70126	16	34	antimicrobial	antimicrobial	ADJ
bibechana-70126	16	35	,	,	PUNCT
bibechana-70126	16	36	antioxidant	antioxidant	NOUN
bibechana-70126	16	37	,	,	PUNCT
bibechana-70126	16	38	and	and	CCONJ
bibechana-70126	16	39	anticancer	anticancer	NOUN
bibechana-70126	16	40	properties	property	NOUN
bibechana-70126	16	41	[	[	X
bibechana-70126	16	42	3	3	NUM
bibechana-70126	16	43	,	,	PUNCT
bibechana-70126	16	44	4	4	NUM
bibechana-70126	16	45	]	]	PUNCT
bibechana-70126	16	46	.	.	PUNCT
bibechana-70126	17	1	research	research	NOUN
bibechana-70126	17	2	has	have	AUX
bibechana-70126	17	3	demonstrated	demonstrate	VERB
bibechana-70126	17	4	that	that	SCONJ
bibechana-70126	17	5	it	it	PRON
bibechana-70126	17	6	possesses	possess	VERB
bibechana-70126	17	7	anti	anti	ADJ
bibechana-70126	17	8	-	-	ADJ
bibechana-70126	17	9	tumor	tumor	ADJ
bibechana-70126	17	10	properties	property	NOUN
bibechana-70126	17	11	and	and	CCONJ
bibechana-70126	17	12	reduces	reduce	VERB
bibechana-70126	17	13	the	the	DET
bibechana-70126	17	14	growth	growth	NOUN
bibechana-70126	17	15	of	of	ADP
bibechana-70126	17	16	human	human	ADJ
bibechana-70126	17	17	cancer	cancer	NOUN
bibechana-70126	17	18	cells	cell	NOUN
bibechana-70126	17	19	[	[	X
bibechana-70126	17	20	5	5	NUM
bibechana-70126	17	21	]	]	PUNCT
bibechana-70126	17	22	.	.	PUNCT
bibechana-70126	18	1	owing	owe	VERB
bibechana-70126	18	2	to	to	ADP
bibechana-70126	18	3	its	its	PRON
bibechana-70126	18	4	anticancer	anticancer	NOUN
bibechana-70126	18	5	properties	property	NOUN
bibechana-70126	18	6	,	,	PUNCT
bibechana-70126	18	7	it	it	PRON
bibechana-70126	18	8	has	have	AUX
bibechana-70126	18	9	been	be	AUX
bibechana-70126	18	10	utilized	utilize	VERB
bibechana-70126	18	11	for	for	ADP
bibechana-70126	18	12	treating	treat	VERB
bibechana-70126	18	13	breast	breast	NOUN
bibechana-70126	18	14	,	,	PUNCT
bibechana-70126	18	15	prostate	prostate	NOUN
bibechana-70126	18	16	,	,	PUNCT
bibechana-70126	18	17	and	and	CCONJ
bibechana-70126	18	18	lung	lung	NOUN
bibechana-70126	18	19	cancers	cancer	NOUN
bibechana-70126	18	20	,	,	PUNCT
bibechana-70126	18	21	as	as	ADV
bibechana-70126	18	22	well	well	ADV
bibechana-70126	18	23	as	as	ADP
bibechana-70126	18	24	other	other	ADJ
bibechana-70126	18	25	types	type	NOUN
bibechana-70126	18	26	of	of	ADP
bibechana-70126	18	27	carcinomas	carcinoma	NOUN
bibechana-70126	18	28	,	,	PUNCT
bibechana-70126	18	29	by	by	ADP
bibechana-70126	18	30	enhancing	enhance	VERB
bibechana-70126	18	31	the	the	DET
bibechana-70126	18	32	immune	immune	ADJ
bibechana-70126	18	33	system	system	NOUN
bibechana-70126	18	34	[	[	X
bibechana-70126	18	35	6,7	6,7	NUM
bibechana-70126	18	36	]	]	PUNCT
bibechana-70126	18	37	.	.	PUNCT
bibechana-70126	19	1	the	the	DET
bibechana-70126	19	2	literature	literature	NOUN
bibechana-70126	19	3	reveals	reveal	VERB
bibechana-70126	19	4	the	the	DET
bibechana-70126	19	5	curative	curative	ADJ
bibechana-70126	19	6	and	and	CCONJ
bibechana-70126	19	7	anticancer	anticancer	NOUN
bibechana-70126	19	8	properties	property	NOUN
bibechana-70126	19	9	of	of	ADP
bibechana-70126	19	10	cirsilineol	cirsilineol	NOUN
bibechana-70126	19	11	using	use	VERB
bibechana-70126	19	12	experimental	experimental	ADJ
bibechana-70126	19	13	and	and	CCONJ
bibechana-70126	19	14	theoretical	theoretical	ADJ
bibechana-70126	19	15	approaches	approach	NOUN
bibechana-70126	19	16	[	[	X
bibechana-70126	19	17	6,7	6,7	NUM
bibechana-70126	19	18	]	]	PUNCT
bibechana-70126	19	19	.	.	PUNCT
bibechana-70126	20	1	paneru	paneru	PROPN
bibechana-70126	20	2	et	et	PROPN
bibechana-70126	20	3	al	al	PROPN
bibechana-70126	20	4	.	.	PROPN
bibechana-70126	20	5	conducted	conduct	VERB
bibechana-70126	20	6	a	a	DET
bibechana-70126	20	7	theoretical	theoretical	ADJ
bibechana-70126	20	8	study	study	NOUN
bibechana-70126	20	9	on	on	ADP
bibechana-70126	20	10	the	the	DET
bibechana-70126	20	11	conformational	conformational	ADJ
bibechana-70126	20	12	analysis	analysis	NOUN
bibechana-70126	20	13	,	,	PUNCT
bibechana-70126	20	14	stability	stability	NOUN
bibechana-70126	20	15	,	,	PUNCT
bibechana-70126	20	16	reactivity	reactivity	NOUN
bibechana-70126	20	17	,	,	PUNCT
bibechana-70126	20	18	and	and	CCONJ
bibechana-70126	20	19	drug	drug	NOUN
bibechana-70126	20	20	potential	potential	NOUN
bibechana-70126	20	21	of	of	ADP
bibechana-70126	20	22	cirsilineol	cirsilineol	NOUN
bibechana-70126	20	23	from	from	ADP
bibechana-70126	20	24	dft	dft	PROPN
bibechana-70126	20	25	[	[	X
bibechana-70126	20	26	8	8	NUM
bibechana-70126	20	27	]	]	PUNCT
bibechana-70126	20	28	.	.	PUNCT
bibechana-70126	21	1	literature	literature	NOUN
bibechana-70126	21	2	indicates	indicate	VERB
bibechana-70126	21	3	that	that	SCONJ
bibechana-70126	21	4	raman	raman	NOUN
bibechana-70126	21	5	and	and	CCONJ
bibechana-70126	21	6	ir	ir	PROPN
bibechana-70126	21	7	spectra	spectra	PROPN
bibechana-70126	21	8	with	with	ADP
bibechana-70126	21	9	vibrational	vibrational	ADJ
bibechana-70126	21	10	analysis	analysis	NOUN
bibechana-70126	21	11	,	,	PUNCT
bibechana-70126	21	12	non	non	ADJ
bibechana-70126	21	13	-	-	ADJ
bibechana-70126	21	14	linear	linear	ADJ
bibechana-70126	21	15	optical	optical	ADJ
bibechana-70126	21	16	properties	property	NOUN
bibechana-70126	21	17	as	as	ADV
bibechana-70126	21	18	well	well	ADV
bibechana-70126	21	19	as	as	ADP
bibechana-70126	21	20	electron	electron	NOUN
bibechana-70126	21	21	transition	transition	NOUN
bibechana-70126	21	22	properties	property	NOUN
bibechana-70126	21	23	based	base	VERB
bibechana-70126	21	24	on	on	ADP
bibechana-70126	21	25	uv	uv	NOUN
bibechana-70126	21	26	-	-	PUNCT
bibechana-70126	21	27	vis	vis	X
bibechana-70126	21	28	spectra	spectra	ADJ
bibechana-70126	21	29	analysis	analysis	NOUN
bibechana-70126	21	30	,	,	PUNCT
bibechana-70126	21	31	have	have	AUX
bibechana-70126	21	32	not	not	PART
bibechana-70126	21	33	been	be	AUX
bibechana-70126	21	34	conducted	conduct	VERB
bibechana-70126	21	35	yet	yet	ADV
bibechana-70126	21	36	.	.	PUNCT
bibechana-70126	22	1	this	this	DET
bibechana-70126	22	2	study	study	NOUN
bibechana-70126	22	3	is	be	AUX
bibechana-70126	22	4	primarily	primarily	ADV
bibechana-70126	22	5	focused	focus	VERB
bibechana-70126	22	6	on	on	ADP
bibechana-70126	22	7	the	the	DET
bibechana-70126	22	8	investigation	investigation	NOUN
bibechana-70126	22	9	of	of	ADP
bibechana-70126	22	10	vibrational	vibrational	ADJ
bibechana-70126	22	11	spectra	spectra	NOUN
bibechana-70126	22	12	,	,	PUNCT
bibechana-70126	22	13	electronic	electronic	ADJ
bibechana-70126	22	14	transitions	transition	NOUN
bibechana-70126	22	15	,	,	PUNCT
bibechana-70126	22	16	and	and	CCONJ
bibechana-70126	22	17	the	the	DET
bibechana-70126	22	18	more	more	ADV
bibechana-70126	22	19	exact	exact	ADJ
bibechana-70126	22	20	prediction	prediction	NOUN
bibechana-70126	22	21	of	of	ADP
bibechana-70126	22	22	reactive	reactive	ADJ
bibechana-70126	22	23	sites	site	NOUN
bibechana-70126	22	24	in	in	ADP
bibechana-70126	22	25	cirsilineol	cirsilineol	NOUN
bibechana-70126	22	26	.	.	PUNCT
bibechana-70126	23	1	for	for	ADP
bibechana-70126	23	2	this	this	DET
bibechana-70126	23	3	study	study	NOUN
bibechana-70126	23	4	,	,	PUNCT
bibechana-70126	23	5	quantum	quantum	ADJ
bibechana-70126	23	6	chemical	chemical	NOUN
bibechana-70126	23	7	calculations	calculation	NOUN
bibechana-70126	23	8	were	be	AUX
bibechana-70126	23	9	performed	perform	VERB
bibechana-70126	23	10	on	on	ADP
bibechana-70126	23	11	the	the	DET
bibechana-70126	23	12	title	title	NOUN
bibechana-70126	23	13	molecule	molecule	NOUN
bibechana-70126	23	14	using	use	VERB
bibechana-70126	23	15	density	density	NOUN
bibechana-70126	23	16	functional	functional	ADJ
bibechana-70126	23	17	theory	theory	NOUN
bibechana-70126	23	18	and	and	CCONJ
bibechana-70126	23	19	the	the	DET
bibechana-70126	23	20	b3lyp	b3lyp	X
bibechana-70126	23	21	hybrid	hybrid	ADJ
bibechana-70126	23	22	functional	functional	ADJ
bibechana-70126	23	23	with	with	ADP
bibechana-70126	23	24	basis	basis	NOUN
bibechana-70126	23	25	set	set	VERB
bibechana-70126	23	26	6	6	NUM
bibechana-70126	23	27	-	-	SYM
bibechana-70126	23	28	11++g(d	11++g(d	NUM
bibechana-70126	23	29	,	,	PUNCT
bibechana-70126	23	30	p	p	NOUN
bibechana-70126	23	31	)	)	PUNCT
bibechana-70126	23	32	.	.	PUNCT
bibechana-70126	24	1	this	this	DET
bibechana-70126	24	2	study	study	NOUN
bibechana-70126	24	3	uses	use	VERB
bibechana-70126	24	4	potential	potential	ADJ
bibechana-70126	24	5	energy	energy	NOUN
bibechana-70126	24	6	distribution	distribution	NOUN
bibechana-70126	24	7	calculations	calculation	NOUN
bibechana-70126	24	8	to	to	PART
bibechana-70126	24	9	conduct	conduct	VERB
bibechana-70126	24	10	a	a	DET
bibechana-70126	24	11	comprehensive	comprehensive	ADJ
bibechana-70126	24	12	spectroscopic	spectroscopic	NOUN
bibechana-70126	24	13	investigation	investigation	NOUN
bibechana-70126	24	14	.	.	PUNCT
bibechana-70126	25	1	the	the	DET
bibechana-70126	25	2	electrostatic	electrostatic	ADJ
bibechana-70126	25	3	potential	potential	NOUN
bibechana-70126	25	4	was	be	AUX
bibechana-70126	25	5	determined	determine	VERB
bibechana-70126	25	6	by	by	ADP
bibechana-70126	25	7	the	the	DET
bibechana-70126	25	8	esp	esp	ADJ
bibechana-70126	25	9	surface	surface	NOUN
bibechana-70126	25	10	analysis	analysis	NOUN
bibechana-70126	25	11	,	,	PUNCT
bibechana-70126	25	12	which	which	PRON
bibechana-70126	25	13	provides	provide	VERB
bibechana-70126	25	14	information	information	NOUN
bibechana-70126	25	15	about	about	ADP
bibechana-70126	25	16	the	the	DET
bibechana-70126	25	17	reactive	reactive	ADJ
bibechana-70126	25	18	sites	site	NOUN
bibechana-70126	25	19	of	of	ADP
bibechana-70126	25	20	the	the	DET
bibechana-70126	25	21	molecule	molecule	NOUN
bibechana-70126	25	22	.	.	PUNCT
bibechana-70126	26	1	the	the	DET
bibechana-70126	26	2	nonlinear	nonlinear	ADJ
bibechana-70126	26	3	optical	optical	ADJ
bibechana-70126	26	4	(	(	PUNCT
bibechana-70126	26	5	nlo	nlo	PROPN
bibechana-70126	26	6	)	)	PUNCT
bibechana-70126	26	7	properties	property	NOUN
bibechana-70126	26	8	of	of	ADP
bibechana-70126	26	9	the	the	DET
bibechana-70126	26	10	title	title	NOUN
bibechana-70126	26	11	compound	compound	NOUN
bibechana-70126	26	12	were	be	AUX
bibechana-70126	26	13	also	also	ADV
bibechana-70126	26	14	investigated	investigate	VERB
bibechana-70126	26	15	in	in	ADP
bibechana-70126	26	16	terms	term	NOUN
bibechana-70126	26	17	of	of	ADP
bibechana-70126	26	18	dipole	dipole	NOUN
bibechana-70126	26	19	moment	moment	NOUN
bibechana-70126	26	20	,	,	PUNCT
bibechana-70126	26	21	polarizability	polarizability	NOUN
bibechana-70126	26	22	,	,	PUNCT
bibechana-70126	26	23	and	and	CCONJ
bibechana-70126	26	24	hyperpolarizability	hyperpolarizability	NOUN
bibechana-70126	26	25	to	to	PART
bibechana-70126	26	26	provide	provide	VERB
bibechana-70126	26	27	insight	insight	NOUN
bibechana-70126	26	28	into	into	ADP
bibechana-70126	26	29	its	its	PRON
bibechana-70126	26	30	use	use	NOUN
bibechana-70126	26	31	as	as	ADP
bibechana-70126	26	32	an	an	DET
bibechana-70126	26	33	nlo	nlo	PROPN
bibechana-70126	26	34	material	material	NOUN
bibechana-70126	26	35	.	.	PUNCT
bibechana-70126	27	1	the	the	DET
bibechana-70126	27	2	natural	natural	ADJ
bibechana-70126	27	3	charges	charge	NOUN
bibechana-70126	27	4	on	on	ADP
bibechana-70126	27	5	each	each	DET
bibechana-70126	27	6	atom	atom	NOUN
bibechana-70126	27	7	were	be	AUX
bibechana-70126	27	8	determined	determine	VERB
bibechana-70126	27	9	by	by	ADP
bibechana-70126	27	10	natural	natural	ADJ
bibechana-70126	27	11	population	population	NOUN
bibechana-70126	27	12	analysis	analysis	NOUN
bibechana-70126	27	13	(	(	PUNCT
bibechana-70126	27	14	npa	npa	NOUN
bibechana-70126	27	15	)	)	PUNCT
bibechana-70126	27	16	.	.	PUNCT
bibechana-70126	28	1	the	the	DET
bibechana-70126	28	2	drug	drug	NOUN
bibechana-70126	28	3	-	-	PUNCT
bibechana-70126	28	4	like	like	ADJ
bibechana-70126	28	5	properties	property	NOUN
bibechana-70126	28	6	and	and	CCONJ
bibechana-70126	28	7	toxicity	toxicity	NOUN
bibechana-70126	28	8	of	of	ADP
bibechana-70126	28	9	the	the	DET
bibechana-70126	28	10	molecule	molecule	NOUN
bibechana-70126	28	11	were	be	AUX
bibechana-70126	28	12	also	also	ADV
bibechana-70126	28	13	evaluated	evaluate	VERB
bibechana-70126	28	14	by	by	ADP
bibechana-70126	28	15	admet	admet	PROPN
bibechana-70126	28	16	analysis	analysis	NOUN
bibechana-70126	28	17	.	.	PUNCT
bibechana-70126	29	1	finally	finally	ADV
bibechana-70126	29	2	,	,	PUNCT
bibechana-70126	29	3	molecular	molecular	ADJ
bibechana-70126	29	4	docking	docking	NOUN
bibechana-70126	29	5	was	be	AUX
bibechana-70126	29	6	carried	carry	VERB
bibechana-70126	29	7	out	out	ADP
bibechana-70126	29	8	to	to	PART
bibechana-70126	29	9	evaluate	evaluate	VERB
bibechana-70126	29	10	the	the	DET
bibechana-70126	29	11	anti	anti	ADJ
bibechana-70126	29	12	-	-	ADJ
bibechana-70126	29	13	cancer	cancer	ADJ
bibechana-70126	29	14	effect	effect	NOUN
bibechana-70126	29	15	of	of	ADP
bibechana-70126	29	16	cirsilineol	cirsilineol	NOUN
bibechana-70126	29	17	against	against	ADP
bibechana-70126	29	18	protein	protein	NOUN
bibechana-70126	29	19	codes	code	NOUN
bibechana-70126	29	20	of	of	ADP
bibechana-70126	29	21	androgen	androgen	NOUN
bibechana-70126	29	22	receptor	receptor	NOUN
bibechana-70126	29	23	by	by	ADP
bibechana-70126	29	24	detecting	detect	VERB
bibechana-70126	29	25	binding	bind	VERB
bibechana-70126	29	26	sites	site	NOUN
bibechana-70126	29	27	and	and	CCONJ
bibechana-70126	29	28	binding	bind	VERB
bibechana-70126	29	29	affinity	affinity	NOUN
bibechana-70126	29	30	of	of	ADP
bibechana-70126	29	31	the	the	DET
bibechana-70126	29	32	title	title	NOUN
bibechana-70126	29	33	molecule	molecule	NOUN
bibechana-70126	29	34	with	with	ADP
bibechana-70126	29	35	the	the	DET
bibechana-70126	29	36	target	target	NOUN
bibechana-70126	29	37	protein	protein	NOUN
bibechana-70126	29	38	codes	code	NOUN
bibechana-70126	29	39	.	.	PUNCT
bibechana-70126	30	1	2	2	NUM
bibechana-70126	30	2	materials	material	NOUN
bibechana-70126	30	3	and	and	CCONJ
bibechana-70126	30	4	methods	method	NOUN
bibechana-70126	30	5	2.1	2.1	NUM
bibechana-70126	30	6	computational	computational	ADJ
bibechana-70126	30	7	details	detail	NOUN
bibechana-70126	30	8	geometry	geometry	NOUN
bibechana-70126	30	9	optimization	optimization	NOUN
bibechana-70126	30	10	of	of	ADP
bibechana-70126	30	11	the	the	DET
bibechana-70126	30	12	molecule	molecule	NOUN
bibechana-70126	30	13	should	should	AUX
bibechana-70126	30	14	require	require	VERB
bibechana-70126	30	15	to	to	PART
bibechana-70126	30	16	commence	commence	VERB
bibechana-70126	30	17	the	the	DET
bibechana-70126	30	18	present	present	ADJ
bibechana-70126	30	19	work	work	NOUN
bibechana-70126	30	20	,	,	PUNCT
bibechana-70126	30	21	which	which	PRON
bibechana-70126	30	22	was	be	AUX
bibechana-70126	30	23	accomplished	accomplish	VERB
bibechana-70126	30	24	by	by	ADP
bibechana-70126	30	25	density	density	NOUN
bibechana-70126	30	26	functional	functional	ADJ
bibechana-70126	30	27	theory	theory	NOUN
bibechana-70126	30	28	in	in	ADP
bibechana-70126	30	29	the	the	DET
bibechana-70126	30	30	gaussian	gaussian	ADJ
bibechana-70126	30	31	09	09	NUM
bibechana-70126	30	32	software	software	NOUN
bibechana-70126	30	33	package	package	NOUN
bibechana-70126	30	34	[	[	X
bibechana-70126	30	35	9	9	NUM
bibechana-70126	30	36	,	,	PUNCT
bibechana-70126	30	37	10	10	NUM
bibechana-70126	30	38	]	]	PUNCT
bibechana-70126	30	39	.	.	PUNCT
bibechana-70126	31	1	the	the	DET
bibechana-70126	31	2	computations	computation	NOUN
bibechana-70126	31	3	were	be	AUX
bibechana-70126	31	4	carried	carry	VERB
bibechana-70126	31	5	out	out	ADP
bibechana-70126	31	6	with	with	ADP
bibechana-70126	31	7	the	the	DET
bibechana-70126	31	8	hybrid	hybrid	ADJ
bibechana-70126	31	9	functional	functional	ADJ
bibechana-70126	31	10	b3lyp	b3lyp	NOUN
bibechana-70126	31	11	in	in	ADP
bibechana-70126	31	12	the	the	DET
bibechana-70126	31	13	basis	basis	NOUN
bibechana-70126	31	14	set	set	VERB
bibechana-70126	31	15	6	6	NUM
bibechana-70126	31	16	-	-	PUNCT
bibechana-70126	31	17	311++g(d	311++g(d	NUM
bibechana-70126	31	18	,	,	PUNCT
bibechana-70126	31	19	p	p	NOUN
bibechana-70126	31	20	)	)	PUNCT
bibechana-70126	31	21	,	,	PUNCT
bibechana-70126	31	22	the	the	DET
bibechana-70126	31	23	correlation	correlation	NOUN
bibechana-70126	31	24	effect	effect	NOUN
bibechana-70126	31	25	,	,	PUNCT
bibechana-70126	31	26	as	as	SCONJ
bibechana-70126	31	27	proposed	propose	VERB
bibechana-70126	31	28	by	by	ADP
bibechana-70126	31	29	lee	lee	PROPN
bibechana-70126	31	30	,	,	PUNCT
bibechana-70126	31	31	yang	yang	PROPN
bibechana-70126	31	32	,	,	PUNCT
bibechana-70126	31	33	and	and	CCONJ
bibechana-70126	31	34	parr	parr	NOUN
bibechana-70126	31	35	,	,	PUNCT
bibechana-70126	31	36	and	and	CCONJ
bibechana-70126	31	37	the	the	DET
bibechana-70126	31	38	exchange	exchange	NOUN
bibechana-70126	31	39	interactions	interaction	NOUN
bibechana-70126	31	40	,	,	PUNCT
bibechana-70126	31	41	as	as	SCONJ
bibechana-70126	31	42	presented	present	VERB
bibechana-70126	31	43	by	by	ADP
bibechana-70126	31	44	becke	becke	NOUN
bibechana-70126	31	45	,	,	PUNCT
bibechana-70126	31	46	are	be	AUX
bibechana-70126	31	47	both	both	PRON
bibechana-70126	31	48	described	describe	VERB
bibechana-70126	31	49	by	by	ADP
bibechana-70126	31	50	the	the	DET
bibechana-70126	31	51	b3lyp	b3lyp	X
bibechana-70126	31	52	hybrid	hybrid	ADJ
bibechana-70126	31	53	functional	functional	ADJ
bibechana-70126	32	1	[	[	X
bibechana-70126	32	2	11–13	11–13	NUM
bibechana-70126	32	3	]	]	X
bibechana-70126	32	4	.	.	PUNCT
bibechana-70126	33	1	the	the	DET
bibechana-70126	33	2	electronic	electronic	ADJ
bibechana-70126	33	3	transition	transition	NOUN
bibechana-70126	33	4	in	in	ADP
bibechana-70126	33	5	orbitals	orbital	NOUN
bibechana-70126	33	6	was	be	AUX
bibechana-70126	33	7	visualized	visualize	VERB
bibechana-70126	33	8	using	use	VERB
bibechana-70126	33	9	gaussview	gaussview	NOUN
bibechana-70126	33	10	05	05	NUM
bibechana-70126	34	1	[	[	X
bibechana-70126	34	2	14	14	NUM
bibechana-70126	34	3	]	]	PUNCT
bibechana-70126	34	4	.	.	PUNCT
bibechana-70126	35	1	the	the	DET
bibechana-70126	35	2	confirmation	confirmation	NOUN
bibechana-70126	35	3	of	of	ADP
bibechana-70126	35	4	ir	ir	PROPN
bibechana-70126	35	5	and	and	CCONJ
bibechana-70126	35	6	raman	raman	ADJ
bibechana-70126	35	7	frequencies	frequency	NOUN
bibechana-70126	35	8	,	,	PUNCT
bibechana-70126	35	9	as	as	ADV
bibechana-70126	35	10	well	well	ADV
bibechana-70126	35	11	as	as	ADP
bibechana-70126	35	12	the	the	DET
bibechana-70126	35	13	optimized	optimize	VERB
bibechana-70126	35	14	structure	structure	NOUN
bibechana-70126	35	15	of	of	ADP
bibechana-70126	35	16	the	the	DET
bibechana-70126	35	17	molecule	molecule	NOUN
bibechana-70126	35	18	,	,	PUNCT
bibechana-70126	35	19	was	be	AUX
bibechana-70126	35	20	identified	identify	VERB
bibechana-70126	35	21	using	use	VERB
bibechana-70126	35	22	chemcraft	chemcraft	NOUN
bibechana-70126	35	23	software	software	NOUN
bibechana-70126	35	24	[	[	X
bibechana-70126	35	25	15	15	NUM
bibechana-70126	35	26	]	]	PUNCT
bibechana-70126	35	27	.	.	PUNCT
bibechana-70126	36	1	through	through	ADP
bibechana-70126	36	2	the	the	DET
bibechana-70126	36	3	use	use	NOUN
bibechana-70126	36	4	of	of	ADP
bibechana-70126	36	5	harmonic	harmonic	ADJ
bibechana-70126	36	6	approximation	approximation	NOUN
bibechana-70126	36	7	,	,	PUNCT
bibechana-70126	36	8	the	the	DET
bibechana-70126	36	9	ir	ir	PROPN
bibechana-70126	36	10	absorption	absorption	NOUN
bibechana-70126	36	11	and	and	CCONJ
bibechana-70126	36	12	raman	raman	NOUN
bibechana-70126	36	13	intensity	intensity	NOUN
bibechana-70126	36	14	of	of	ADP
bibechana-70126	36	15	the	the	DET
bibechana-70126	36	16	optimized	optimize	VERB
bibechana-70126	36	17	structure	structure	NOUN
bibechana-70126	36	18	were	be	AUX
bibechana-70126	36	19	determined	determine	VERB
bibechana-70126	36	20	.	.	PUNCT
bibechana-70126	37	1	multiwfn	multiwfn	PROPN
bibechana-70126	37	2	8	8	NUM
bibechana-70126	37	3	and	and	CCONJ
bibechana-70126	37	4	vmd	vmd	PROPN
bibechana-70126	37	5	1.9.4	1.9.4	NUM
bibechana-70126	37	6	software	software	NOUN
bibechana-70126	37	7	were	be	AUX
bibechana-70126	37	8	used	use	VERB
bibechana-70126	37	9	to	to	PART
bibechana-70126	37	10	map	map	VERB
bibechana-70126	37	11	the	the	DET
bibechana-70126	37	12	electrostatic	electrostatic	ADJ
bibechana-70126	37	13	potential	potential	NOUN
bibechana-70126	37	14	(	(	PUNCT
bibechana-70126	37	15	esp	esp	ADJ
bibechana-70126	37	16	)	)	PUNCT
bibechana-70126	37	17	with	with	ADP
bibechana-70126	37	18	the	the	DET
bibechana-70126	37	19	molecular	molecular	ADJ
bibechana-70126	37	20	van	van	PROPN
bibechana-70126	37	21	der	der	PROPN
bibechana-70126	37	22	wall	wall	PROPN
bibechana-70126	37	23	surface	surface	PROPN
bibechana-70126	38	1	[	[	X
bibechana-70126	38	2	16	16	NUM
bibechana-70126	38	3	,	,	PUNCT
bibechana-70126	38	4	17	17	NUM
bibechana-70126	38	5	]	]	PUNCT
bibechana-70126	38	6	.	.	PUNCT
bibechana-70126	39	1	with	with	ADP
bibechana-70126	39	2	the	the	DET
bibechana-70126	39	3	polarized	polarize	VERB
bibechana-70126	39	4	continuum	continuum	ADJ
bibechana-70126	39	5	model	model	NOUN
bibechana-70126	39	6	(	(	PUNCT
bibechana-70126	39	7	pcm	pcm	NOUN
bibechana-70126	39	8	)	)	PUNCT
bibechana-70126	39	9	,	,	PUNCT
bibechana-70126	39	10	the	the	DET
bibechana-70126	39	11	uv	uv	NOUN
bibechana-70126	39	12	-	-	PUNCT
bibechana-70126	39	13	vis	vis	X
bibechana-70126	39	14	absorption	absorption	NOUN
bibechana-70126	39	15	of	of	ADP
bibechana-70126	39	16	cirsilineol	cirsilineol	NOUN
bibechana-70126	39	17	demonstrating	demonstrate	VERB
bibechana-70126	39	18	electronic	electronic	ADJ
bibechana-70126	39	19	transition	transition	NOUN
bibechana-70126	39	20	on	on	ADP
bibechana-70126	39	21	molecular	molecular	ADJ
bibechana-70126	39	22	orbital	orbital	NOUN
bibechana-70126	39	23	was	be	AUX
bibechana-70126	39	24	rendered	render	VERB
bibechana-70126	39	25	in	in	ADP
bibechana-70126	39	26	gaseous	gaseous	ADJ
bibechana-70126	39	27	and	and	CCONJ
bibechana-70126	39	28	solvent	solvent	ADJ
bibechana-70126	39	29	phases	phase	NOUN
bibechana-70126	39	30	,	,	PUNCT
bibechana-70126	39	31	using	use	VERB
bibechana-70126	39	32	the	the	DET
bibechana-70126	39	33	td	td	NOUN
bibechana-70126	39	34	-	-	PUNCT
bibechana-70126	39	35	dft	dft	NOUN
bibechana-70126	39	36	/	/	SYM
bibechana-70126	39	37	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	39	38	-	-	NOUN
bibechana-70126	39	39	311++g(d	311++g(d	ADJ
bibechana-70126	39	40	,	,	PUNCT
bibechana-70126	39	41	p	p	NOUN
bibechana-70126	39	42	)	)	PUNCT
bibechana-70126	39	43	level	level	NOUN
bibechana-70126	39	44	of	of	ADP
bibechana-70126	39	45	theory	theory	NOUN
bibechana-70126	39	46	[	[	X
bibechana-70126	39	47	18	18	NUM
bibechana-70126	39	48	,	,	PUNCT
bibechana-70126	39	49	19	19	NUM
bibechana-70126	39	50	]	]	PUNCT
bibechana-70126	39	51	.	.	PUNCT
bibechana-70126	40	1	the	the	DET
bibechana-70126	40	2	density	density	NOUN
bibechana-70126	40	3	of	of	ADP
bibechana-70126	40	4	state	state	NOUN
bibechana-70126	40	5	(	(	PUNCT
bibechana-70126	40	6	dos	dos	PROPN
bibechana-70126	40	7	)	)	PUNCT
bibechana-70126	40	8	spectrum	spectrum	NOUN
bibechana-70126	40	9	was	be	AUX
bibechana-70126	40	10	produced	produce	VERB
bibechana-70126	40	11	with	with	ADP
bibechana-70126	40	12	the	the	DET
bibechana-70126	40	13	gausssum	gausssum	NOUN
bibechana-70126	40	14	3.0	3.0	NUM
bibechana-70126	40	15	software	software	NOUN
bibechana-70126	40	16	,	,	PUNCT
bibechana-70126	40	17	with	with	ADP
bibechana-70126	40	18	a	a	DET
bibechana-70126	40	19	full	full	ADJ
bibechana-70126	40	20	width	width	NOUN
bibechana-70126	40	21	at	at	ADP
bibechana-70126	40	22	half	half	ADJ
bibechana-70126	40	23	maximum	maximum	ADJ
bibechana-70126	40	24	(	(	PUNCT
bibechana-70126	40	25	fwhm	fwhm	NOUN
bibechana-70126	40	26	)	)	PUNCT
bibechana-70126	40	27	of	of	ADP
bibechana-70126	40	28	0.3	0.3	NUM
bibechana-70126	40	29	ev	ev	NOUN
bibechana-70126	41	1	[	[	X
bibechana-70126	41	2	20	20	NUM
bibechana-70126	41	3	]	]	PUNCT
bibechana-70126	41	4	.	.	PUNCT
bibechana-70126	42	1	the	the	DET
bibechana-70126	42	2	energy	energy	NOUN
bibechana-70126	42	3	gap	gap	NOUN
bibechana-70126	42	4	in	in	ADP
bibechana-70126	42	5	the	the	DET
bibechana-70126	42	6	dos	do	NOUN
bibechana-70126	42	7	spectrum	spectrum	NOUN
bibechana-70126	42	8	was	be	AUX
bibechana-70126	42	9	then	then	ADV
bibechana-70126	42	10	compared	compare	VERB
bibechana-70126	42	11	with	with	ADP
bibechana-70126	42	12	the	the	DET
bibechana-70126	42	13	energy	energy	NOUN
bibechana-70126	42	14	gap	gap	NOUN
bibechana-70126	42	15	between	between	ADP
bibechana-70126	42	16	highest	high	ADJ
bibechana-70126	42	17	occupied	occupy	VERB
bibechana-70126	42	18	molecular	molecular	ADJ
bibechana-70126	42	19	orbital	orbital	ADJ
bibechana-70126	42	20	(	(	PUNCT
bibechana-70126	42	21	homo	homo	NOUN
bibechana-70126	42	22	)	)	PUNCT
bibechana-70126	42	23	and	and	CCONJ
bibechana-70126	42	24	lowest	low	ADJ
bibechana-70126	42	25	unoccupied	unoccupied	ADJ
bibechana-70126	42	26	molecular	molecular	ADJ
bibechana-70126	42	27	orbital	orbital	ADJ
bibechana-70126	42	28	(	(	PUNCT
bibechana-70126	42	29	lumo	lumo	NOUN
bibechana-70126	42	30	)	)	PUNCT
bibechana-70126	42	31	.	.	PUNCT
bibechana-70126	43	1	to	to	PART
bibechana-70126	43	2	evaluate	evaluate	VERB
bibechana-70126	43	3	the	the	DET
bibechana-70126	43	4	admet	admet	NOUN
bibechana-70126	43	5	properties	property	NOUN
bibechana-70126	43	6	of	of	ADP
bibechana-70126	43	7	cirsilineol	cirsilineol	NOUN
bibechana-70126	43	8	,	,	PUNCT
bibechana-70126	43	9	the	the	DET
bibechana-70126	43	10	swiss	swiss	ADJ
bibechana-70126	43	11	adme	adme	NOUN
bibechana-70126	43	12	and	and	CCONJ
bibechana-70126	43	13	pkcsm	pkcsm	NOUN
bibechana-70126	43	14	online	online	ADJ
bibechana-70126	43	15	web	web	NOUN
bibechana-70126	43	16	tool	tool	NOUN
bibechana-70126	43	17	was	be	AUX
bibechana-70126	43	18	used	use	VERB
bibechana-70126	43	19	[	[	X
bibechana-70126	43	20	21,22	21,22	NOUN
bibechana-70126	43	21	]	]	X
bibechana-70126	43	22	.	.	PUNCT
bibechana-70126	44	1	auto	auto	NOUN
bibechana-70126	44	2	dock	dock	NOUN
bibechana-70126	44	3	tools	tool	NOUN
bibechana-70126	44	4	(	(	PUNCT
bibechana-70126	44	5	adt	adt	NOUN
bibechana-70126	44	6	)	)	PUNCT
bibechana-70126	44	7	version	version	NOUN
bibechana-70126	44	8	1.5.4	1.5.4	PROPN
bibechana-70126	44	9	has	have	AUX
bibechana-70126	44	10	carried	carry	VERB
bibechana-70126	44	11	out	out	ADP
bibechana-70126	44	12	the	the	DET
bibechana-70126	44	13	molecular	molecular	ADJ
bibechana-70126	44	14	docking	docking	NOUN
bibechana-70126	44	15	of	of	ADP
bibechana-70126	44	16	the	the	DET
bibechana-70126	44	17	molecule	molecule	NOUN
bibechana-70126	44	18	[	[	X
bibechana-70126	44	19	23	23	NUM
bibechana-70126	44	20	]	]	PUNCT
bibechana-70126	44	21	.	.	PUNCT
bibechana-70126	45	1	finally	finally	ADV
bibechana-70126	45	2	,	,	PUNCT
bibechana-70126	45	3	the	the	DET
bibechana-70126	45	4	binding	bind	VERB
bibechana-70126	45	5	positions	position	NOUN
bibechana-70126	45	6	of	of	ADP
bibechana-70126	45	7	the	the	DET
bibechana-70126	45	8	title	title	NOUN
bibechana-70126	45	9	molecule	molecule	NOUN
bibechana-70126	45	10	with	with	ADP
bibechana-70126	45	11	the	the	DET
bibechana-70126	45	12	pdb	pdb	PROPN
bibechana-70126	45	13	codes	code	NOUN
bibechana-70126	45	14	of	of	ADP
bibechana-70126	45	15	the	the	DET
bibechana-70126	45	16	androgen	androgen	NOUN
bibechana-70126	45	17	receptor	receptor	NOUN
bibechana-70126	45	18	were	be	AUX
bibechana-70126	45	19	displayed	display	VERB
bibechana-70126	45	20	using	use	VERB
bibechana-70126	45	21	discovery	discovery	NOUN
bibechana-70126	45	22	studio	studio	NOUN
bibechana-70126	45	23	visualizer	visualizer	NOUN
bibechana-70126	45	24	4.5	4.5	NUM
bibechana-70126	46	1	[	[	X
bibechana-70126	46	2	24	24	NUM
bibechana-70126	46	3	]	]	PUNCT
bibechana-70126	46	4	.	.	PUNCT
bibechana-70126	46	5	3	3	NUM
bibechana-70126	46	6	results	result	NOUN
bibechana-70126	46	7	and	and	CCONJ
bibechana-70126	46	8	discussion	discussion	NOUN
bibechana-70126	46	9	3.1	3.1	NUM
bibechana-70126	46	10	geometry	geometry	NOUN
bibechana-70126	46	11	optimization	optimization	NOUN
bibechana-70126	46	12	the	the	DET
bibechana-70126	46	13	compound	compound	NOUN
bibechana-70126	46	14	cirsilineol	cirsilineol	NOUN
bibechana-70126	46	15	(	(	PUNCT
bibechana-70126	46	16	cid	cid	NOUN
bibechana-70126	46	17	162464	162464	NUM
bibechana-70126	46	18	)	)	PUNCT
bibechana-70126	46	19	was	be	AUX
bibechana-70126	46	20	downloaded	download	VERB
bibechana-70126	46	21	from	from	ADP
bibechana-70126	46	22	the	the	DET
bibechana-70126	46	23	pubchem	pubchem	NOUN
bibechana-70126	46	24	database	database	NOUN
bibechana-70126	46	25	,	,	PUNCT
bibechana-70126	46	26	[	[	X
bibechana-70126	46	27	25	25	NUM
bibechana-70126	46	28	]	]	PUNCT
bibechana-70126	46	29	and	and	CCONJ
bibechana-70126	46	30	optimized	optimize	VERB
bibechana-70126	46	31	using	use	VERB
bibechana-70126	46	32	density	density	NOUN
bibechana-70126	46	33	functional	functional	ADJ
bibechana-70126	46	34	theory	theory	NOUN
bibechana-70126	46	35	with	with	ADP
bibechana-70126	46	36	the	the	DET
bibechana-70126	46	37	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	46	38	-	-	NOUN
bibechana-70126	46	39	311++g(d	311++g(d	PROPN
bibechana-70126	46	40	,	,	PUNCT
bibechana-70126	46	41	p	p	NOUN
bibechana-70126	46	42	)	)	PUNCT
bibechana-70126	46	43	level	level	NOUN
bibechana-70126	46	44	of	of	ADP
bibechana-70126	46	45	theory	theory	NOUN
bibechana-70126	46	46	.	.	PUNCT
bibechana-70126	47	1	the	the	DET
bibechana-70126	47	2	ground	ground	NOUN
bibechana-70126	47	3	state	state	NOUN
bibechana-70126	47	4	energy	energy	NOUN
bibechana-70126	47	5	of	of	ADP
bibechana-70126	47	6	cirsilineol	cirsilineol	NOUN
bibechana-70126	47	7	was	be	AUX
bibechana-70126	47	8	found	find	VERB
bibechana-70126	47	9	to	to	PART
bibechana-70126	47	10	be	be	AUX
bibechana-70126	47	11	-767078.745	-767078.745	PROPN
bibechana-70126	47	12	kcal	kcal	PROPN
bibechana-70126	47	13	/	/	SYM
bibechana-70126	47	14	mol	mol	PROPN
bibechana-70126	47	15	,	,	PUNCT
bibechana-70126	47	16	which	which	PRON
bibechana-70126	47	17	is	be	AUX
bibechana-70126	47	18	identical	identical	ADJ
bibechana-70126	47	19	to	to	ADP
bibechana-70126	47	20	the	the	DET
bibechana-70126	47	21	energy	energy	NOUN
bibechana-70126	47	22	(	(	PUNCT
bibechana-70126	47	23	-767080.126	-767080.126	PUNCT
bibechana-70126	47	24	kcal	kcal	PROPN
bibechana-70126	47	25	/	/	SYM
bibechana-70126	47	26	mol	mol	NOUN
bibechana-70126	47	27	)	)	PUNCT
bibechana-70126	47	28	for	for	ADP
bibechana-70126	47	29	the	the	DET
bibechana-70126	47	30	most	most	ADV
bibechana-70126	47	31	stable	stable	ADJ
bibechana-70126	47	32	conformer	conformer	NOUN
bibechana-70126	47	33	of	of	ADP
bibechana-70126	47	34	cirsilineol	cirsilineol	NOUN
bibechana-70126	47	35	as	as	SCONJ
bibechana-70126	47	36	evaluated	evaluate	VERB
bibechana-70126	47	37	by	by	ADP
bibechana-70126	47	38	paneru	paneru	PROPN
bibechana-70126	47	39	et	et	PROPN
bibechana-70126	47	40	al	al	PROPN
bibechana-70126	47	41	.	.	PUNCT
bibechana-70126	48	1	using	use	VERB
bibechana-70126	48	2	the	the	DET
bibechana-70126	48	3	same	same	ADJ
bibechana-70126	48	4	level	level	NOUN
bibechana-70126	48	5	of	of	ADP
bibechana-70126	48	6	theory	theory	NOUN
bibechana-70126	48	7	[	[	X
bibechana-70126	48	8	8	8	NUM
bibechana-70126	48	9	]	]	PUNCT
bibechana-70126	48	10	.	.	PUNCT
bibechana-70126	49	1	the	the	DET
bibechana-70126	49	2	optimized	optimize	VERB
bibechana-70126	49	3	structure	structure	NOUN
bibechana-70126	49	4	of	of	ADP
bibechana-70126	49	5	cirsilineol	cirsilineol	NOUN
bibechana-70126	49	6	with	with	ADP
bibechana-70126	49	7	a	a	DET
bibechana-70126	49	8	numbering	numbering	NOUN
bibechana-70126	49	9	scheme	scheme	NOUN
bibechana-70126	49	10	on	on	ADP
bibechana-70126	49	11	the	the	DET
bibechana-70126	49	12	atoms	atom	NOUN
bibechana-70126	49	13	is	be	AUX
bibechana-70126	49	14	shown	show	VERB
bibechana-70126	49	15	in	in	ADP
bibechana-70126	49	16	fig	fig	NOUN
bibechana-70126	49	17	.	.	PUNCT
bibechana-70126	50	1	1	1	X
bibechana-70126	50	2	.	.	X
bibechana-70126	51	1	the	the	DET
bibechana-70126	51	2	optimized	optimize	VERB
bibechana-70126	51	3	structure	structure	NOUN
bibechana-70126	51	4	was	be	AUX
bibechana-70126	51	5	used	use	VERB
bibechana-70126	51	6	for	for	ADP
bibechana-70126	51	7	further	further	ADJ
bibechana-70126	51	8	study	study	NOUN
bibechana-70126	51	9	of	of	ADP
bibechana-70126	51	10	the	the	DET
bibechana-70126	51	11	tirth	tirth	NOUN
bibechana-70126	51	12	raj	raj	PROPN
bibechana-70126	51	13	paneru	paneru	PROPN
bibechana-70126	51	14	et	et	PROPN
bibechana-70126	51	15	al./	al./	ADV
bibechana-70126	51	16	bibechana	bibechana	PROPN
bibechana-70126	51	17	22	22	NUM
bibechana-70126	51	18	(	(	PUNCT
bibechana-70126	51	19	2025	2025	NUM
bibechana-70126	51	20	)	)	PUNCT
bibechana-70126	51	21	1	1	NUM
bibechana-70126	51	22	-	-	SYM
bibechana-70126	51	23	14	14	NUM
bibechana-70126	51	24	3	3	NUM
bibechana-70126	51	25	title	title	NOUN
bibechana-70126	51	26	compound	compound	NOUN
bibechana-70126	51	27	.	.	PUNCT
bibechana-70126	52	1	3.2	3.2	NUM
bibechana-70126	52	2	vibrational	vibrational	NOUN
bibechana-70126	52	3	assignment	assignment	NOUN
bibechana-70126	52	4	the	the	DET
bibechana-70126	52	5	use	use	NOUN
bibechana-70126	52	6	of	of	ADP
bibechana-70126	52	7	vibrational	vibrational	ADJ
bibechana-70126	52	8	spectroscopy	spectroscopy	NOUN
bibechana-70126	52	9	,	,	PUNCT
bibechana-70126	52	10	such	such	ADJ
bibechana-70126	52	11	as	as	ADP
bibechana-70126	52	12	fourier	fourier	NOUN
bibechana-70126	52	13	-	-	PUNCT
bibechana-70126	52	14	transform	transform	NOUN
bibechana-70126	52	15	infrared	infrared	ADJ
bibechana-70126	52	16	(	(	PUNCT
bibechana-70126	52	17	ft	ft	NOUN
bibechana-70126	52	18	-	-	PUNCT
bibechana-70126	52	19	ir	ir	NOUN
bibechana-70126	52	20	)	)	PUNCT
bibechana-70126	52	21	and	and	CCONJ
bibechana-70126	52	22	raman	raman	NOUN
bibechana-70126	52	23	,	,	PUNCT
bibechana-70126	52	24	can	can	AUX
bibechana-70126	52	25	generate	generate	VERB
bibechana-70126	52	26	important	important	ADJ
bibechana-70126	52	27	insights	insight	NOUN
bibechana-70126	52	28	into	into	ADP
bibechana-70126	52	29	the	the	DET
bibechana-70126	52	30	interactions	interaction	NOUN
bibechana-70126	52	31	and	and	CCONJ
bibechana-70126	52	32	structure	structure	NOUN
bibechana-70126	52	33	of	of	ADP
bibechana-70126	52	34	molecules	molecule	NOUN
bibechana-70126	52	35	.	.	PUNCT
bibechana-70126	53	1	cirsilineol	cirsilineol	NOUN
bibechana-70126	53	2	consists	consist	VERB
bibechana-70126	53	3	of	of	ADP
bibechana-70126	53	4	41	41	NUM
bibechana-70126	53	5	atoms	atom	NOUN
bibechana-70126	53	6	with	with	ADP
bibechana-70126	53	7	(	(	PUNCT
bibechana-70126	53	8	3n-6	3n-6	NOUN
bibechana-70126	53	9	)	)	PUNCT
bibechana-70126	53	10	117	117	NUM
bibechana-70126	53	11	modes	mode	NOUN
bibechana-70126	53	12	of	of	ADP
bibechana-70126	53	13	vibration	vibration	NOUN
bibechana-70126	53	14	,	,	PUNCT
bibechana-70126	53	15	all	all	PRON
bibechana-70126	53	16	of	of	ADP
bibechana-70126	53	17	those	those	PRON
bibechana-70126	53	18	being	be	AUX
bibechana-70126	53	19	ir	ir	NOUN
bibechana-70126	53	20	and	and	CCONJ
bibechana-70126	53	21	raman	raman	VERB
bibechana-70126	53	22	active	active	ADJ
bibechana-70126	53	23	.	.	PUNCT
bibechana-70126	54	1	the	the	DET
bibechana-70126	54	2	spectral	spectral	ADJ
bibechana-70126	54	3	wavenumbers	wavenumber	NOUN
bibechana-70126	54	4	for	for	ADP
bibechana-70126	54	5	ir	ir	PROPN
bibechana-70126	54	6	and	and	CCONJ
bibechana-70126	54	7	raman	raman	NOUN
bibechana-70126	54	8	were	be	AUX
bibechana-70126	54	9	calculated	calculate	VERB
bibechana-70126	54	10	at	at	ADP
bibechana-70126	54	11	the	the	DET
bibechana-70126	54	12	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	54	13	-	-	NOUN
bibechana-70126	54	14	311++g(d	311++g(d	PROPN
bibechana-70126	54	15	,	,	PUNCT
bibechana-70126	54	16	p	p	NOUN
bibechana-70126	54	17	)	)	PUNCT
bibechana-70126	54	18	level	level	NOUN
bibechana-70126	54	19	of	of	ADP
bibechana-70126	54	20	theory	theory	NOUN
bibechana-70126	54	21	,	,	PUNCT
bibechana-70126	54	22	but	but	CCONJ
bibechana-70126	54	23	they	they	PRON
bibechana-70126	54	24	were	be	AUX
bibechana-70126	54	25	overestimated	overestimate	VERB
bibechana-70126	54	26	due	due	ADP
bibechana-70126	54	27	to	to	ADP
bibechana-70126	54	28	anharmonicity	anharmonicity	NOUN
bibechana-70126	54	29	,	,	PUNCT
bibechana-70126	54	30	so	so	SCONJ
bibechana-70126	54	31	they	they	PRON
bibechana-70126	54	32	were	be	AUX
bibechana-70126	54	33	reduced	reduce	VERB
bibechana-70126	54	34	using	use	VERB
bibechana-70126	54	35	the	the	DET
bibechana-70126	54	36	wavenumber	wavenumber	NOUN
bibechana-70126	54	37	linear	linear	NOUN
bibechana-70126	54	38	scaling	scaling	NOUN
bibechana-70126	54	39	(	(	PUNCT
bibechana-70126	54	40	wls	wls	NOUN
bibechana-70126	54	41	)	)	PUNCT
bibechana-70126	54	42	factor	factor	NOUN
bibechana-70126	54	43	[	[	X
bibechana-70126	54	44	26	26	NUM
bibechana-70126	54	45	]	]	PUNCT
bibechana-70126	54	46	.	.	PUNCT
bibechana-70126	55	1	the	the	DET
bibechana-70126	55	2	vibrational	vibrational	ADJ
bibechana-70126	55	3	wavenumber	wavenumber	NOUN
bibechana-70126	55	4	calculations	calculation	NOUN
bibechana-70126	55	5	and	and	CCONJ
bibechana-70126	55	6	potential	potential	ADJ
bibechana-70126	55	7	energy	energy	NOUN
bibechana-70126	55	8	distribution	distribution	NOUN
bibechana-70126	55	9	assignment	assignment	NOUN
bibechana-70126	55	10	were	be	AUX
bibechana-70126	55	11	performed	perform	VERB
bibechana-70126	55	12	in	in	ADP
bibechana-70126	55	13	gar2ped	gar2ped	PROPN
bibechana-70126	55	14	in	in	ADP
bibechana-70126	55	15	accordance	accordance	NOUN
bibechana-70126	55	16	with	with	ADP
bibechana-70126	55	17	pulay	pulay	NOUN
bibechana-70126	55	18	's	's	PART
bibechana-70126	55	19	recommendations	recommendation	NOUN
bibechana-70126	55	20	[	[	X
bibechana-70126	55	21	27	27	NUM
bibechana-70126	55	22	,	,	PUNCT
bibechana-70126	55	23	28	28	NUM
bibechana-70126	55	24	]	]	PUNCT
bibechana-70126	55	25	.	.	PUNCT
bibechana-70126	56	1	the	the	DET
bibechana-70126	56	2	raman	raman	NOUN
bibechana-70126	56	3	intensity	intensity	NOUN
bibechana-70126	56	4	was	be	AUX
bibechana-70126	56	5	not	not	PART
bibechana-70126	56	6	directly	directly	ADV
bibechana-70126	56	7	obtained	obtain	VERB
bibechana-70126	56	8	from	from	ADP
bibechana-70126	56	9	dft	dft	PROPN
bibechana-70126	56	10	calculations	calculation	NOUN
bibechana-70126	56	11	it	it	PRON
bibechana-70126	56	12	can	can	AUX
bibechana-70126	56	13	be	be	AUX
bibechana-70126	56	14	obtained	obtain	VERB
bibechana-70126	56	15	from	from	ADP
bibechana-70126	56	16	the	the	DET
bibechana-70126	56	17	raman	raman	NOUN
bibechana-70126	56	18	scattering	scatter	VERB
bibechana-70126	56	19	cross	cross	NOUN
bibechana-70126	56	20	-	-	NOUN
bibechana-70126	56	21	section	section	NOUN
bibechana-70126	56	22	.	.	PUNCT
bibechana-70126	57	1	raman	raman	NOUN
bibechana-70126	57	2	scattering	scatter	VERB
bibechana-70126	57	3	cross	cross	NOUN
bibechana-70126	57	4	-	-	NOUN
bibechana-70126	57	5	section	section	NOUN
bibechana-70126	57	6	is	be	AUX
bibechana-70126	57	7	proportional	proportional	ADJ
bibechana-70126	57	8	to	to	ADP
bibechana-70126	57	9	the	the	DET
bibechana-70126	57	10	amplitude	amplitude	NOUN
bibechana-70126	57	11	and	and	CCONJ
bibechana-70126	57	12	provided	provide	VERB
bibechana-70126	57	13	by	by	ADP
bibechana-70126	57	14	the	the	DET
bibechana-70126	57	15	following	follow	VERB
bibechana-70126	57	16	relation	relation	NOUN
bibechana-70126	57	17	[	[	X
bibechana-70126	57	18	29	29	NUM
bibechana-70126	57	19	]	]	PUNCT
bibechana-70126	57	20	.	.	PUNCT
bibechana-70126	58	1	∂σj	∂σj	PROPN
bibechana-70126	58	2	∂ω	∂ω	PROPN
bibechana-70126	58	3	=	=	PUNCT
bibechana-70126	58	4	(	(	PUNCT
bibechana-70126	58	5	24π4	24π4	NUM
bibechana-70126	58	6	45	45	NUM
bibechana-70126	58	7	)	)	PUNCT
bibechana-70126	58	8			PROPN
bibechana-70126	58	9	(	(	PUNCT
bibechana-70126	58	10	ν0	ν0	PROPN
bibechana-70126	58	11	−	−	PROPN
bibechana-70126	58	12	νj	νj	NOUN
bibechana-70126	58	13	)	)	PUNCT
bibechana-70126	58	14	4	4	NUM
bibechana-70126	58	15	1−	1−	NUM
bibechana-70126	58	16	exp	exp	NOUN
bibechana-70126	58	17	[	[	PUNCT
bibechana-70126	58	18	hcνj	hcνj	NOUN
bibechana-70126	58	19	kt	kt	PROPN
bibechana-70126	58	20	]	]	X
bibechana-70126	58	21			PROPN
bibechana-70126	58	22	(	(	PUNCT
bibechana-70126	58	23	h	h	NOUN
bibechana-70126	58	24	8π2cνj	8π2cνj	PROPN
bibechana-70126	58	25	)	)	PUNCT
bibechana-70126	58	26	sj	sj	INTJ
bibechana-70126	58	27	where	where	SCONJ
bibechana-70126	58	28	,	,	PUNCT
bibechana-70126	58	29	h	h	NOUN
bibechana-70126	58	30	,	,	PUNCT
bibechana-70126	58	31	c	c	NOUN
bibechana-70126	58	32	,	,	PUNCT
bibechana-70126	58	33	and	and	CCONJ
bibechana-70126	58	34	k	k	PROPN
bibechana-70126	58	35	as	as	ADP
bibechana-70126	58	36	a	a	DET
bibechana-70126	58	37	universal	universal	ADJ
bibechana-70126	58	38	constant	constant	ADJ
bibechana-70126	58	39	.	.	PUNCT
bibechana-70126	59	1	sj	sj	INTJ
bibechana-70126	59	2	and	and	CCONJ
bibechana-70126	59	3	νj	νj	PROPN
bibechana-70126	59	4	be	be	AUX
bibechana-70126	59	5	the	the	DET
bibechana-70126	59	6	scattering	scatter	VERB
bibechana-70126	59	7	activity	activity	NOUN
bibechana-70126	59	8	and	and	CCONJ
bibechana-70126	59	9	predicted	predict	VERB
bibechana-70126	59	10	wavenumber	wavenumber	NOUN
bibechana-70126	59	11	of	of	ADP
bibechana-70126	59	12	jth	jth	PROPN
bibechana-70126	59	13	mode	mode	PROPN
bibechana-70126	59	14	,	,	PUNCT
bibechana-70126	59	15	and	and	CCONJ
bibechana-70126	59	16	ν0	ν0	PROPN
bibechana-70126	59	17	be	be	VERB
bibechana-70126	59	18	the	the	DET
bibechana-70126	59	19	wavenumber	wavenumber	NOUN
bibechana-70126	59	20	related	relate	VERB
bibechana-70126	59	21	to	to	ADP
bibechana-70126	59	22	the	the	DET
bibechana-70126	59	23	excited	excited	ADJ
bibechana-70126	59	24	state	state	NOUN
bibechana-70126	59	25	.	.	PUNCT
bibechana-70126	60	1	simulated	simulate	VERB
bibechana-70126	60	2	spectra	spectra	NOUN
bibechana-70126	60	3	are	be	AUX
bibechana-70126	60	4	produced	produce	VERB
bibechana-70126	60	5	by	by	ADP
bibechana-70126	60	6	convoluting	convolute	VERB
bibechana-70126	60	7	each	each	DET
bibechana-70126	60	8	predicted	predict	VERB
bibechana-70126	60	9	vibrational	vibrational	ADJ
bibechana-70126	60	10	mode	mode	NOUN
bibechana-70126	60	11	with	with	ADP
bibechana-70126	60	12	the	the	DET
bibechana-70126	60	13	computed	compute	VERB
bibechana-70126	60	14	raman	raman	NOUN
bibechana-70126	60	15	and	and	CCONJ
bibechana-70126	60	16	ir	ir	PROPN
bibechana-70126	60	17	intensities	intensity	NOUN
bibechana-70126	60	18	using	use	VERB
bibechana-70126	60	19	a	a	DET
bibechana-70126	60	20	lorentzian	lorentzian	ADJ
bibechana-70126	60	21	line	line	NOUN
bibechana-70126	60	22	shape	shape	NOUN
bibechana-70126	60	23	with	with	ADP
bibechana-70126	60	24	a	a	DET
bibechana-70126	60	25	full	full	ADJ
bibechana-70126	60	26	width	width	NOUN
bibechana-70126	60	27	at	at	ADP
bibechana-70126	60	28	half	half	ADJ
bibechana-70126	60	29	maximum	maximum	ADJ
bibechana-70126	60	30	(	(	PUNCT
bibechana-70126	60	31	fwhm	fwhm	NOUN
bibechana-70126	60	32	)	)	PUNCT
bibechana-70126	60	33	of	of	ADP
bibechana-70126	60	34	8	8	NUM
bibechana-70126	60	35	cm-1	cm-1	NOUN
bibechana-70126	61	1	[	[	X
bibechana-70126	61	2	30	30	NUM
bibechana-70126	61	3	]	]	PUNCT
bibechana-70126	61	4	.	.	PUNCT
bibechana-70126	62	1	table	table	NOUN
bibechana-70126	62	2	1	1	NUM
bibechana-70126	62	3	displays	display	VERB
bibechana-70126	62	4	both	both	CCONJ
bibechana-70126	62	5	the	the	DET
bibechana-70126	62	6	unscaled	unscaled	ADJ
bibechana-70126	62	7	and	and	CCONJ
bibechana-70126	62	8	scaled	scale	VERB
bibechana-70126	62	9	wavenumbers	wavenumber	NOUN
bibechana-70126	62	10	for	for	ADP
bibechana-70126	62	11	ft	ft	PROPN
bibechana-70126	62	12	-	-	PUNCT
bibechana-70126	62	13	ir	ir	PROPN
bibechana-70126	62	14	and	and	CCONJ
bibechana-70126	62	15	ft	ft	NOUN
bibechana-70126	62	16	-	-	PUNCT
bibechana-70126	62	17	raman	raman	NOUN
bibechana-70126	62	18	,	,	PUNCT
bibechana-70126	62	19	as	as	ADV
bibechana-70126	62	20	well	well	ADV
bibechana-70126	62	21	as	as	ADP
bibechana-70126	62	22	their	their	PRON
bibechana-70126	62	23	ped	ped	ADJ
bibechana-70126	62	24	distribution	distribution	NOUN
bibechana-70126	62	25	.	.	PUNCT
bibechana-70126	63	1	the	the	DET
bibechana-70126	63	2	graph	graph	NOUN
bibechana-70126	63	3	of	of	ADP
bibechana-70126	63	4	ir	ir	PROPN
bibechana-70126	63	5	absorbance	absorbance	NOUN
bibechana-70126	63	6	plotted	plot	VERB
bibechana-70126	63	7	against	against	ADP
bibechana-70126	63	8	the	the	DET
bibechana-70126	63	9	scaled	scale	VERB
bibechana-70126	63	10	wavenumber	wavenumber	NOUN
bibechana-70126	63	11	,	,	PUNCT
bibechana-70126	63	12	adjusted	adjust	VERB
bibechana-70126	63	13	using	use	VERB
bibechana-70126	63	14	the	the	DET
bibechana-70126	63	15	wls	wls	NOUN
bibechana-70126	63	16	factor	factor	NOUN
bibechana-70126	63	17	derived	derive	VERB
bibechana-70126	63	18	from	from	ADP
bibechana-70126	63	19	dft	dft	PROPN
bibechana-70126	63	20	calculations	calculation	NOUN
bibechana-70126	63	21	,	,	PUNCT
bibechana-70126	63	22	is	be	AUX
bibechana-70126	63	23	presented	present	VERB
bibechana-70126	63	24	in	in	ADP
bibechana-70126	63	25	fig	fig	NOUN
bibechana-70126	63	26	.	.	PUNCT
bibechana-70126	64	1	2	2	X
bibechana-70126	64	2	.	.	X
bibechana-70126	64	3	the	the	DET
bibechana-70126	64	4	graph	graph	NOUN
bibechana-70126	64	5	for	for	ADP
bibechana-70126	64	6	the	the	DET
bibechana-70126	64	7	raman	raman	NOUN
bibechana-70126	64	8	spectra	spectra	NOUN
bibechana-70126	64	9	obtained	obtain	VERB
bibechana-70126	64	10	by	by	ADP
bibechana-70126	64	11	plotting	plot	VERB
bibechana-70126	64	12	the	the	DET
bibechana-70126	64	13	graph	graph	NOUN
bibechana-70126	64	14	between	between	ADP
bibechana-70126	64	15	raman	raman	NOUN
bibechana-70126	64	16	intensity	intensity	NOUN
bibechana-70126	64	17	and	and	CCONJ
bibechana-70126	64	18	scaled	scale	VERB
bibechana-70126	64	19	wave	wave	NOUN
bibechana-70126	64	20	number	number	NOUN
bibechana-70126	64	21	is	be	AUX
bibechana-70126	64	22	shown	show	VERB
bibechana-70126	64	23	in	in	ADP
bibechana-70126	64	24	fig	fig	NOUN
bibechana-70126	64	25	.	.	PUNCT
bibechana-70126	65	1	3	3	X
bibechana-70126	65	2	.	.	X
bibechana-70126	65	3	using	use	VERB
bibechana-70126	65	4	the	the	DET
bibechana-70126	65	5	potential	potential	ADJ
bibechana-70126	65	6	energy	energy	NOUN
bibechana-70126	65	7	distribution	distribution	NOUN
bibechana-70126	65	8	in	in	ADP
bibechana-70126	65	9	table	table	NOUN
bibechana-70126	65	10	1	1	NUM
bibechana-70126	65	11	,	,	PUNCT
bibechana-70126	65	12	and	and	CCONJ
bibechana-70126	65	13	the	the	DET
bibechana-70126	65	14	ir	ir	PROPN
bibechana-70126	65	15	and	and	CCONJ
bibechana-70126	65	16	raman	raman	ADJ
bibechana-70126	65	17	spectra	spectra	NOUN
bibechana-70126	65	18	shown	show	VERB
bibechana-70126	65	19	in	in	ADP
bibechana-70126	65	20	figures	figure	NOUN
bibechana-70126	65	21	2	2	NUM
bibechana-70126	65	22	and	and	CCONJ
bibechana-70126	65	23	3	3	NUM
bibechana-70126	65	24	,	,	PUNCT
bibechana-70126	65	25	we	we	PRON
bibechana-70126	65	26	illustrated	illustrate	VERB
bibechana-70126	65	27	the	the	DET
bibechana-70126	65	28	vibrational	vibrational	ADJ
bibechana-70126	65	29	modes	mode	NOUN
bibechana-70126	65	30	associated	associate	VERB
bibechana-70126	65	31	with	with	ADP
bibechana-70126	65	32	the	the	DET
bibechana-70126	65	33	functional	functional	ADJ
bibechana-70126	65	34	groups	group	NOUN
bibechana-70126	65	35	,	,	PUNCT
bibechana-70126	65	36	rings	ring	NOUN
bibechana-70126	65	37	,	,	PUNCT
bibechana-70126	65	38	and	and	CCONJ
bibechana-70126	65	39	methyl	methyl	NOUN
bibechana-70126	65	40	groups	group	NOUN
bibechana-70126	65	41	of	of	ADP
bibechana-70126	65	42	cirsilineol	cirsilineol	NOUN
bibechana-70126	65	43	in	in	ADP
bibechana-70126	65	44	the	the	DET
bibechana-70126	65	45	following	follow	VERB
bibechana-70126	65	46	sections	section	NOUN
bibechana-70126	65	47	.	.	PUNCT
bibechana-70126	66	1	3.2.1	3.2.1	NUM
bibechana-70126	66	2	o	o	ADJ
bibechana-70126	66	3	-	-	ADJ
bibechana-70126	66	4	h	h	ADJ
bibechana-70126	66	5	vibrations	vibration	NOUN
bibechana-70126	66	6	cirsilineol	cirsilineol	NOUN
bibechana-70126	66	7	has	have	VERB
bibechana-70126	66	8	two	two	NUM
bibechana-70126	66	9	oh	oh	NUM
bibechana-70126	66	10	groups	group	NOUN
bibechana-70126	66	11	on	on	ADP
bibechana-70126	66	12	rings	ring	NOUN
bibechana-70126	66	13	r1	r1	PROPN
bibechana-70126	66	14	and	and	CCONJ
bibechana-70126	66	15	r3	r3	PROPN
bibechana-70126	66	16	.	.	PUNCT
bibechana-70126	67	1	this	this	DET
bibechana-70126	67	2	group	group	NOUN
bibechana-70126	67	3	may	may	AUX
bibechana-70126	67	4	be	be	AUX
bibechana-70126	67	5	reactive	reactive	ADJ
bibechana-70126	67	6	parts	part	NOUN
bibechana-70126	67	7	of	of	ADP
bibechana-70126	67	8	molecules	molecule	NOUN
bibechana-70126	67	9	,	,	PUNCT
bibechana-70126	67	10	allowing	allow	VERB
bibechana-70126	67	11	it	it	PRON
bibechana-70126	67	12	to	to	PART
bibechana-70126	67	13	participate	participate	VERB
bibechana-70126	67	14	in	in	ADP
bibechana-70126	67	15	intraand	intraand	NOUN
bibechana-70126	67	16	intermolecular	intermolecular	ADJ
bibechana-70126	67	17	hydrogen	hydrogen	NOUN
bibechana-70126	67	18	bonds	bond	NOUN
bibechana-70126	67	19	.	.	PUNCT
bibechana-70126	68	1	the	the	DET
bibechana-70126	68	2	stretching	stretch	VERB
bibechana-70126	68	3	vibration	vibration	NOUN
bibechana-70126	68	4	of	of	ADP
bibechana-70126	68	5	the	the	DET
bibechana-70126	68	6	free	free	ADJ
bibechana-70126	68	7	o	o	ADJ
bibechana-70126	68	8	-	-	ADJ
bibechana-70126	68	9	h	h	PROPN
bibechana-70126	68	10	group	group	NOUN
bibechana-70126	68	11	in	in	ADP
bibechana-70126	68	12	ring	ring	NOUN
bibechana-70126	68	13	r3	r3	PROPN
bibechana-70126	68	14	is	be	AUX
bibechana-70126	68	15	3624	3624	NUM
bibechana-70126	68	16	cm-1	cm-1	NOUN
bibechana-70126	68	17	,	,	PUNCT
bibechana-70126	68	18	while	while	SCONJ
bibechana-70126	68	19	the	the	DET
bibechana-70126	68	20	stretching	stretch	VERB
bibechana-70126	68	21	vibration	vibration	NOUN
bibechana-70126	68	22	of	of	ADP
bibechana-70126	68	23	the	the	DET
bibechana-70126	68	24	o	o	ADJ
bibechana-70126	68	25	-	-	PROPN
bibechana-70126	68	26	h	h	PROPN
bibechana-70126	68	27	group	group	NOUN
bibechana-70126	68	28	in	in	ADP
bibechana-70126	68	29	ring	ring	NOUN
bibechana-70126	68	30	r1	r1	PROPN
bibechana-70126	68	31	is	be	AUX
bibechana-70126	68	32	3064	3064	NUM
bibechana-70126	68	33	cm-1	cm-1	NOUN
bibechana-70126	68	34	.	.	PUNCT
bibechana-70126	69	1	the	the	DET
bibechana-70126	69	2	stretching	stretch	VERB
bibechana-70126	69	3	vibration	vibration	NOUN
bibechana-70126	69	4	of	of	ADP
bibechana-70126	69	5	free	free	ADJ
bibechana-70126	69	6	oh	oh	INTJ
bibechana-70126	69	7	in	in	ADP
bibechana-70126	69	8	a	a	DET
bibechana-70126	69	9	similar	similar	ADJ
bibechana-70126	69	10	type	type	NOUN
bibechana-70126	69	11	of	of	ADP
bibechana-70126	69	12	flavonoid	flavonoid	NOUN
bibechana-70126	69	13	,	,	PUNCT
bibechana-70126	69	14	such	such	ADJ
bibechana-70126	69	15	as	as	ADP
bibechana-70126	69	16	kaempferol	kaempferol	NOUN
bibechana-70126	69	17	,	,	PUNCT
bibechana-70126	69	18	was	be	AUX
bibechana-70126	69	19	computed	compute	VERB
bibechana-70126	69	20	to	to	PART
bibechana-70126	69	21	be	be	AUX
bibechana-70126	69	22	3626	3626	NUM
bibechana-70126	69	23	cm-1	cm-1	NOUN
bibechana-70126	69	24	;	;	PUNCT
bibechana-70126	69	25	in	in	ADP
bibechana-70126	69	26	quercetin	quercetin	NOUN
bibechana-70126	69	27	,	,	PUNCT
bibechana-70126	69	28	3640	3640	NUM
bibechana-70126	69	29	,	,	PUNCT
bibechana-70126	69	30	3598	3598	NUM
bibechana-70126	69	31	cm-1	cm-1	PART
bibechana-70126	69	32	;	;	PUNCT
bibechana-70126	69	33	in	in	ADP
bibechana-70126	69	34	myricetin	myricetin	PROPN
bibechana-70126	69	35	,	,	PUNCT
bibechana-70126	69	36	computed	compute	VERB
bibechana-70126	69	37	to	to	PART
bibechana-70126	69	38	be	be	AUX
bibechana-70126	69	39	3546	3546	NUM
bibechana-70126	69	40	,	,	PUNCT
bibechana-70126	69	41	3608	3608	NUM
bibechana-70126	69	42	cm-1	cm-1	NOUN
bibechana-70126	69	43	;	;	PUNCT
bibechana-70126	69	44	and	and	CCONJ
bibechana-70126	69	45	in	in	ADP
bibechana-70126	69	46	catechol	catechol	NOUN
bibechana-70126	69	47	,	,	PUNCT
bibechana-70126	69	48	computed	compute	VERB
bibechana-70126	69	49	to	to	PART
bibechana-70126	69	50	be	be	AUX
bibechana-70126	69	51	3647	3647	NUM
bibechana-70126	69	52	cm-1	cm-1	VERB
bibechana-70126	69	53	using	use	VERB
bibechana-70126	69	54	b3lyp/6	b3lyp/6	PROPN
bibechana-70126	69	55	-	-	X
bibechana-70126	69	56	31+g(d	31+g(d	PROPN
bibechana-70126	69	57	,	,	PUNCT
bibechana-70126	69	58	p	p	NOUN
bibechana-70126	69	59	)	)	PUNCT
bibechana-70126	69	60	level	level	NOUN
bibechana-70126	69	61	of	of	ADP
bibechana-70126	69	62	theory	theory	NOUN
bibechana-70126	69	63	.	.	PUNCT
bibechana-70126	70	1	these	these	PRON
bibechana-70126	70	2	are	be	AUX
bibechana-70126	70	3	in	in	ADP
bibechana-70126	70	4	agreement	agreement	NOUN
bibechana-70126	70	5	with	with	ADP
bibechana-70126	70	6	our	our	PRON
bibechana-70126	70	7	result	result	NOUN
bibechana-70126	70	8	[	[	X
bibechana-70126	70	9	31	31	NUM
bibechana-70126	70	10	]	]	PUNCT
bibechana-70126	70	11	.	.	PUNCT
bibechana-70126	71	1	the	the	DET
bibechana-70126	71	2	stretching	stretch	VERB
bibechana-70126	71	3	vibration	vibration	NOUN
bibechana-70126	71	4	of	of	ADP
bibechana-70126	71	5	the	the	DET
bibechana-70126	71	6	o	o	ADJ
bibechana-70126	71	7	-	-	PROPN
bibechana-70126	71	8	h	h	PROPN
bibechana-70126	71	9	group	group	NOUN
bibechana-70126	71	10	in	in	ADP
bibechana-70126	71	11	ring	ring	NOUN
bibechana-70126	71	12	r1	r1	PROPN
bibechana-70126	71	13	was	be	AUX
bibechana-70126	71	14	found	find	VERB
bibechana-70126	71	15	to	to	PART
bibechana-70126	71	16	be	be	AUX
bibechana-70126	71	17	lower	low	ADJ
bibechana-70126	71	18	,	,	PUNCT
bibechana-70126	71	19	confirming	confirm	VERB
bibechana-70126	71	20	the	the	DET
bibechana-70126	71	21	presence	presence	NOUN
bibechana-70126	71	22	of	of	ADP
bibechana-70126	71	23	o4	o4	PROPN
bibechana-70126	71	24	-	-	PUNCT
bibechana-70126	71	25	h31	h31	NOUN
bibechana-70126	71	26	.	.	PUNCT
bibechana-70126	71	27	.	.	PUNCT
bibechana-70126	71	28	.	.	PUNCT
bibechana-70126	72	1	o5	o5	PROPN
bibechana-70126	72	2	intra	intra	ADJ
bibechana-70126	72	3	-	-	ADJ
bibechana-70126	72	4	molecular	molecular	ADJ
bibechana-70126	72	5	hydrogen	hydrogen	NOUN
bibechana-70126	72	6	bonding	bonding	NOUN
bibechana-70126	72	7	.	.	PUNCT
bibechana-70126	73	1	the	the	DET
bibechana-70126	73	2	o	o	ADJ
bibechana-70126	73	3	-	-	ADJ
bibechana-70126	73	4	h	h	ADJ
bibechana-70126	73	5	vibration	vibration	NOUN
bibechana-70126	73	6	of	of	ADP
bibechana-70126	73	7	rings	ring	NOUN
bibechana-70126	73	8	r1	r1	PROPN
bibechana-70126	73	9	and	and	CCONJ
bibechana-70126	73	10	r3	r3	PROPN
bibechana-70126	73	11	showed	show	VERB
bibechana-70126	73	12	a	a	DET
bibechana-70126	73	13	sharp	sharp	ADJ
bibechana-70126	73	14	peak	peak	NOUN
bibechana-70126	73	15	in	in	ADP
bibechana-70126	73	16	both	both	CCONJ
bibechana-70126	73	17	ir	ir	PROPN
bibechana-70126	73	18	and	and	CCONJ
bibechana-70126	73	19	raman	raman	ADJ
bibechana-70126	73	20	spectra	spectra	NOUN
bibechana-70126	73	21	,	,	PUNCT
bibechana-70126	73	22	whereas	whereas	SCONJ
bibechana-70126	73	23	the	the	DET
bibechana-70126	73	24	vibration	vibration	NOUN
bibechana-70126	73	25	of	of	ADP
bibechana-70126	73	26	o	o	NOUN
bibechana-70126	73	27	-	-	NOUN
bibechana-70126	73	28	h	h	NOUN
bibechana-70126	73	29	in	in	ADP
bibechana-70126	73	30	ring	ring	NOUN
bibechana-70126	73	31	r1	r1	PROPN
bibechana-70126	73	32	shifted	shift	VERB
bibechana-70126	73	33	to	to	ADP
bibechana-70126	73	34	the	the	DET
bibechana-70126	73	35	lower	low	ADJ
bibechana-70126	73	36	frequency	frequency	NOUN
bibechana-70126	73	37	in	in	ADP
bibechana-70126	73	38	ir	ir	PROPN
bibechana-70126	73	39	and	and	CCONJ
bibechana-70126	73	40	raman	raman	PROPN
bibechana-70126	73	41	spectra	spectra	NOUN
bibechana-70126	73	42	.	.	PUNCT
bibechana-70126	74	1	the	the	DET
bibechana-70126	74	2	deformation	deformation	NOUN
bibechana-70126	74	3	of	of	ADP
bibechana-70126	74	4	o	o	ADJ
bibechana-70126	74	5	-	-	ADJ
bibechana-70126	74	6	h	h	ADJ
bibechana-70126	74	7	groups	group	NOUN
bibechana-70126	74	8	occurred	occur	VERB
bibechana-70126	74	9	at	at	ADP
bibechana-70126	74	10	1415	1415	NUM
bibechana-70126	74	11	and	and	CCONJ
bibechana-70126	74	12	1195	1195	NUM
bibechana-70126	74	13	cm-1	cm-1	NOUN
bibechana-70126	74	14	.	.	PUNCT
bibechana-70126	75	1	3.2.2	3.2.2	NUM
bibechana-70126	75	2	o	o	X
bibechana-70126	75	3	-	-	PUNCT
bibechana-70126	75	4	ch3	ch3	ADJ
bibechana-70126	75	5	vibrations	vibration	NOUN
bibechana-70126	75	6	there	there	PRON
bibechana-70126	75	7	are	be	VERB
bibechana-70126	75	8	three	three	NUM
bibechana-70126	75	9	methyl	methyl	NOUN
bibechana-70126	75	10	moieties	moiety	NOUN
bibechana-70126	75	11	in	in	ADP
bibechana-70126	75	12	cirsilineol	cirsilineol	NOUN
bibechana-70126	75	13	,	,	PUNCT
bibechana-70126	75	14	and	and	CCONJ
bibechana-70126	75	15	each	each	DET
bibechana-70126	75	16	one	one	NOUN
bibechana-70126	75	17	can	can	AUX
bibechana-70126	75	18	vibrate	vibrate	VERB
bibechana-70126	75	19	in	in	ADP
bibechana-70126	75	20	the	the	DET
bibechana-70126	75	21	different	different	ADJ
bibechana-70126	75	22	ways	way	NOUN
bibechana-70126	75	23	,	,	PUNCT
bibechana-70126	75	24	including	include	VERB
bibechana-70126	75	25	stretching	stretch	VERB
bibechana-70126	75	26	,	,	PUNCT
bibechana-70126	75	27	deforming	deforming	NOUN
bibechana-70126	75	28	,	,	PUNCT
bibechana-70126	75	29	and	and	CCONJ
bibechana-70126	75	30	rocking	rock	VERB
bibechana-70126	75	31	.	.	PUNCT
bibechana-70126	76	1	the	the	DET
bibechana-70126	76	2	methyl	methyl	NOUN
bibechana-70126	76	3	group	group	NOUN
bibechana-70126	76	4	exhibits	exhibit	VERB
bibechana-70126	76	5	asymmetric	asymmetric	ADJ
bibechana-70126	76	6	stretching	stretching	NOUN
bibechana-70126	76	7	in	in	ADP
bibechana-70126	76	8	the	the	DET
bibechana-70126	76	9	range	range	NOUN
bibechana-70126	76	10	of	of	ADP
bibechana-70126	76	11	2970	2970	NUM
bibechana-70126	76	12	-	-	SYM
bibechana-70126	76	13	2950	2950	NUM
bibechana-70126	76	14	cm-1	cm-1	NOUN
bibechana-70126	76	15	and	and	CCONJ
bibechana-70126	76	16	symmetric	symmetric	ADJ
bibechana-70126	76	17	stretching	stretching	NOUN
bibechana-70126	76	18	in	in	ADP
bibechana-70126	76	19	the	the	DET
bibechana-70126	76	20	range	range	NOUN
bibechana-70126	76	21	of	of	ADP
bibechana-70126	76	22	2880	2880	NUM
bibechana-70126	76	23	-	-	SYM
bibechana-70126	76	24	2860	2860	NUM
bibechana-70126	76	25	cm-1	cm-1	PROPN
bibechana-70126	76	26	.	.	PUNCT
bibechana-70126	77	1	asymmetric	asymmetric	ADJ
bibechana-70126	77	2	deformations	deformation	NOUN
bibechana-70126	77	3	should	should	AUX
bibechana-70126	77	4	fall	fall	VERB
bibechana-70126	77	5	within	within	ADP
bibechana-70126	77	6	1470	1470	NUM
bibechana-70126	77	7	-	-	SYM
bibechana-70126	77	8	1430	1430	NUM
bibechana-70126	77	9	cm-1	cm-1	NOUN
bibechana-70126	77	10	,	,	PUNCT
bibechana-70126	77	11	while	while	SCONJ
bibechana-70126	77	12	symmetric	symmetric	ADJ
bibechana-70126	77	13	deformations	deformation	NOUN
bibechana-70126	77	14	should	should	AUX
bibechana-70126	77	15	be	be	AUX
bibechana-70126	77	16	within	within	ADP
bibechana-70126	77	17	1380	1380	NUM
bibechana-70126	77	18	-	-	SYM
bibechana-70126	77	19	1370	1370	NUM
bibechana-70126	77	20	cm-1	cm-1	X
bibechana-70126	78	1	[	[	X
bibechana-70126	78	2	32	32	NUM
bibechana-70126	78	3	]	]	PUNCT
bibechana-70126	78	4	.	.	PUNCT
bibechana-70126	78	5	asymmetric	asymmetric	ADJ
bibechana-70126	78	6	stretching	stretching	NOUN
bibechana-70126	78	7	of	of	ADP
bibechana-70126	78	8	the	the	DET
bibechana-70126	78	9	methyl	methyl	NOUN
bibechana-70126	78	10	group	group	NOUN
bibechana-70126	78	11	was	be	AUX
bibechana-70126	78	12	computed	compute	VERB
bibechana-70126	78	13	to	to	PART
bibechana-70126	78	14	be	be	AUX
bibechana-70126	78	15	3009	3009	NUM
bibechana-70126	78	16	,	,	PUNCT
bibechana-70126	78	17	3006	3006	NUM
bibechana-70126	78	18	,	,	PUNCT
bibechana-70126	78	19	3002	3002	NUM
bibechana-70126	78	20	,	,	PUNCT
bibechana-70126	78	21	and	and	CCONJ
bibechana-70126	78	22	2941	2941	NUM
bibechana-70126	78	23	cm-1	cm-1	NOUN
bibechana-70126	78	24	,	,	PUNCT
bibechana-70126	78	25	whereas	whereas	SCONJ
bibechana-70126	78	26	symmetric	symmetric	ADJ
bibechana-70126	78	27	stretching	stretching	NOUN
bibechana-70126	78	28	was	be	AUX
bibechana-70126	78	29	obtained	obtain	VERB
bibechana-70126	78	30	at	at	ADP
bibechana-70126	78	31	2977	2977	NUM
bibechana-70126	78	32	,	,	PUNCT
bibechana-70126	78	33	2972	2972	NUM
bibechana-70126	78	34	,	,	PUNCT
bibechana-70126	78	35	2900	2900	NUM
bibechana-70126	78	36	,	,	PUNCT
bibechana-70126	78	37	2899	2899	NUM
bibechana-70126	78	38	,	,	PUNCT
bibechana-70126	78	39	and	and	CCONJ
bibechana-70126	78	40	2886	2886	NUM
bibechana-70126	78	41	cm-1	cm-1	NOUN
bibechana-70126	78	42	.	.	PUNCT
bibechana-70126	79	1	the	the	DET
bibechana-70126	79	2	asymmetric	asymmetric	ADJ
bibechana-70126	79	3	deformations	deformation	NOUN
bibechana-70126	79	4	of	of	ADP
bibechana-70126	79	5	the	the	DET
bibechana-70126	79	6	methyl	methyl	NOUN
bibechana-70126	79	7	group	group	NOUN
bibechana-70126	79	8	were	be	AUX
bibechana-70126	79	9	calculated	calculate	VERB
bibechana-70126	79	10	at	at	ADP
bibechana-70126	79	11	1489	1489	NUM
bibechana-70126	79	12	,	,	PUNCT
bibechana-70126	79	13	1486	1486	NUM
bibechana-70126	79	14	,	,	PUNCT
bibechana-70126	79	15	1480	1480	NUM
bibechana-70126	79	16	,	,	PUNCT
bibechana-70126	79	17	1470	1470	NUM
bibechana-70126	79	18	,	,	PUNCT
bibechana-70126	79	19	1465	1465	NUM
bibechana-70126	79	20	,	,	PUNCT
bibechana-70126	79	21	and	and	CCONJ
bibechana-70126	79	22	1464	1464	NUM
bibechana-70126	79	23	cm-1	cm-1	NOUN
bibechana-70126	79	24	,	,	PUNCT
bibechana-70126	79	25	while	while	SCONJ
bibechana-70126	79	26	the	the	DET
bibechana-70126	79	27	symmetric	symmetric	ADJ
bibechana-70126	79	28	deformations	deformation	NOUN
bibechana-70126	79	29	were	be	AUX
bibechana-70126	79	30	determined	determine	VERB
bibechana-70126	79	31	at	at	ADP
bibechana-70126	79	32	1459	1459	NUM
bibechana-70126	79	33	,	,	PUNCT
bibechana-70126	79	34	1458	1458	NUM
bibechana-70126	79	35	,	,	PUNCT
bibechana-70126	79	36	and	and	CCONJ
bibechana-70126	79	37	1447	1447	NUM
bibechana-70126	79	38	cm-1	cm-1	NOUN
bibechana-70126	79	39	.	.	PUNCT
bibechana-70126	80	1	methyl	methyl	NOUN
bibechana-70126	80	2	moieties	moiety	NOUN
bibechana-70126	80	3	were	be	AUX
bibechana-70126	80	4	found	find	VERB
bibechana-70126	80	5	to	to	PART
bibechana-70126	80	6	be	be	AUX
bibechana-70126	80	7	rocking	rock	VERB
bibechana-70126	80	8	at	at	ADP
bibechana-70126	80	9	1203	1203	NUM
bibechana-70126	80	10	,	,	PUNCT
bibechana-70126	80	11	1195	1195	NUM
bibechana-70126	80	12	,	,	PUNCT
bibechana-70126	80	13	1188	1188	NUM
bibechana-70126	80	14	,	,	PUNCT
bibechana-70126	80	15	1156	1156	NUM
bibechana-70126	80	16	,	,	PUNCT
bibechana-70126	80	17	and	and	CCONJ
bibechana-70126	80	18	1155	1155	NUM
bibechana-70126	80	19	cm-1	cm-1	NOUN
bibechana-70126	80	20	.	.	PUNCT
bibechana-70126	81	1	these	these	DET
bibechana-70126	81	2	observations	observation	NOUN
bibechana-70126	81	3	have	have	AUX
bibechana-70126	81	4	shown	show	VERB
bibechana-70126	81	5	that	that	SCONJ
bibechana-70126	81	6	the	the	DET
bibechana-70126	81	7	calculated	calculate	VERB
bibechana-70126	81	8	wavenumbers	wavenumber	NOUN
bibechana-70126	81	9	for	for	ADP
bibechana-70126	81	10	various	various	ADJ
bibechana-70126	81	11	vibrations	vibration	NOUN
bibechana-70126	81	12	falls	fall	VERB
bibechana-70126	81	13	within	within	ADP
bibechana-70126	81	14	the	the	DET
bibechana-70126	81	15	range	range	NOUN
bibechana-70126	81	16	reported	report	VERB
bibechana-70126	81	17	in	in	ADP
bibechana-70126	81	18	the	the	DET
bibechana-70126	81	19	literature	literature	NOUN
bibechana-70126	81	20	.	.	PUNCT
bibechana-70126	82	1	figure	figure	NOUN
bibechana-70126	82	2	1	1	NUM
bibechana-70126	82	3	:	:	PUNCT
bibechana-70126	82	4	optimized	optimize	VERB
bibechana-70126	82	5	structure	structure	NOUN
bibechana-70126	82	6	of	of	ADP
bibechana-70126	82	7	cirsilineol	cirsilineol	NOUN
bibechana-70126	82	8	showing	show	VERB
bibechana-70126	82	9	intra	intra	ADJ
bibechana-70126	82	10	-	-	ADJ
bibechana-70126	82	11	molecular	molecular	ADJ
bibechana-70126	82	12	hydrogen	hydrogen	NOUN
bibechana-70126	82	13	bonding	bonding	NOUN
bibechana-70126	82	14	(	(	PUNCT
bibechana-70126	82	15	oh	oh	INTJ
bibechana-70126	82	16	.	.	PUNCT
bibechana-70126	82	17	.	.	PUNCT
bibechana-70126	82	18	.	.	PUNCT
bibechana-70126	83	1	o	o	X
bibechana-70126	83	2	)	)	PUNCT
bibechana-70126	83	3	and	and	CCONJ
bibechana-70126	83	4	numbering	number	VERB
bibechana-70126	83	5	scheme	scheme	NOUN
bibechana-70126	83	6	on	on	ADP
bibechana-70126	83	7	atoms	atom	NOUN
bibechana-70126	83	8	.	.	PUNCT
bibechana-70126	84	1	tirth	tirth	PROPN
bibechana-70126	84	2	raj	raj	PROPN
bibechana-70126	84	3	paneru	paneru	PROPN
bibechana-70126	84	4	et	et	PROPN
bibechana-70126	84	5	al./	al./	ADV
bibechana-70126	84	6	bibechana	bibechana	PROPN
bibechana-70126	84	7	22	22	NUM
bibechana-70126	84	8	(	(	PUNCT
bibechana-70126	84	9	2025	2025	NUM
bibechana-70126	84	10	)	)	PUNCT
bibechana-70126	84	11	1	1	NUM
bibechana-70126	84	12	-	-	SYM
bibechana-70126	84	13	14	14	NUM
bibechana-70126	84	14	4	4	NUM
bibechana-70126	84	15	figure	figure	NOUN
bibechana-70126	84	16	2	2	NUM
bibechana-70126	84	17	:	:	PUNCT
bibechana-70126	84	18	calculated	calculate	VERB
bibechana-70126	84	19	ir	ir	PROPN
bibechana-70126	84	20	spectra	spectra	NOUN
bibechana-70126	84	21	of	of	ADP
bibechana-70126	84	22	cirsilineol	cirsilineol	NOUN
bibechana-70126	84	23	at	at	ADP
bibechana-70126	84	24	the	the	DET
bibechana-70126	84	25	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	84	26	-	-	NOUN
bibechana-70126	84	27	311++g(d	311++g(d	PROPN
bibechana-70126	84	28	,	,	PUNCT
bibechana-70126	84	29	p	p	NOUN
bibechana-70126	84	30	)	)	PUNCT
bibechana-70126	84	31	level	level	NOUN
bibechana-70126	84	32	of	of	ADP
bibechana-70126	84	33	theory	theory	NOUN
bibechana-70126	84	34	.	.	PUNCT
bibechana-70126	85	1	figure	figure	VERB
bibechana-70126	85	2	3	3	NUM
bibechana-70126	85	3	:	:	PUNCT
bibechana-70126	85	4	calculated	calculated	ADJ
bibechana-70126	85	5	raman	raman	ADJ
bibechana-70126	85	6	spectra	spectra	NOUN
bibechana-70126	85	7	of	of	ADP
bibechana-70126	85	8	cirsilineol	cirsilineol	NOUN
bibechana-70126	85	9	at	at	ADP
bibechana-70126	85	10	the	the	DET
bibechana-70126	85	11	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	85	12	-	-	NOUN
bibechana-70126	85	13	311++g(d	311++g(d	PROPN
bibechana-70126	85	14	,	,	PUNCT
bibechana-70126	85	15	p	p	NOUN
bibechana-70126	85	16	)	)	PUNCT
bibechana-70126	85	17	level	level	NOUN
bibechana-70126	85	18	of	of	ADP
bibechana-70126	85	19	theory	theory	NOUN
bibechana-70126	85	20	.	.	PUNCT
bibechana-70126	86	1	3.2.3	3.2.3	NUM
bibechana-70126	86	2	vibrations	vibration	NOUN
bibechana-70126	86	3	in	in	ADP
bibechana-70126	86	4	ring	ring	NOUN
bibechana-70126	86	5	r1	r1	PROPN
bibechana-70126	86	6	ring	ring	NOUN
bibechana-70126	86	7	r1	r1	PROPN
bibechana-70126	86	8	consists	consist	VERB
bibechana-70126	86	9	of	of	ADP
bibechana-70126	86	10	one	one	NUM
bibechana-70126	86	11	c	c	NOUN
bibechana-70126	86	12	-	-	PUNCT
bibechana-70126	86	13	h	h	NOUN
bibechana-70126	86	14	moiety	moiety	NOUN
bibechana-70126	86	15	and	and	CCONJ
bibechana-70126	86	16	three	three	NUM
bibechana-70126	86	17	c	c	X
bibechana-70126	86	18	-	-	PUNCT
bibechana-70126	86	19	o	o	NOUN
bibechana-70126	86	20	moieties	moiety	NOUN
bibechana-70126	86	21	.	.	PUNCT
bibechana-70126	87	1	the	the	DET
bibechana-70126	87	2	stretching	stretching	NOUN
bibechana-70126	87	3	,	,	PUNCT
bibechana-70126	87	4	in	in	ADP
bibechana-70126	87	5	-	-	PUNCT
bibechana-70126	87	6	plane	plane	NOUN
bibechana-70126	87	7	bending	bending	NOUN
bibechana-70126	87	8	,	,	PUNCT
bibechana-70126	87	9	and	and	CCONJ
bibechana-70126	87	10	out	out	ADV
bibechana-70126	87	11	-	-	PUNCT
bibechana-70126	87	12	of	of	ADP
bibechana-70126	87	13	-	-	PUNCT
bibechana-70126	87	14	plane	plane	NOUN
bibechana-70126	87	15	bending	bending	NOUN
bibechana-70126	87	16	should	should	AUX
bibechana-70126	87	17	all	all	PRON
bibechana-70126	87	18	be	be	AUX
bibechana-70126	87	19	in	in	ADP
bibechana-70126	87	20	the	the	DET
bibechana-70126	87	21	range	range	NOUN
bibechana-70126	87	22	3100	3100	NUM
bibechana-70126	87	23	-	-	SYM
bibechana-70126	87	24	3000	3000	NUM
bibechana-70126	87	25	cm-1	cm-1	NOUN
bibechana-70126	87	26	,	,	PUNCT
bibechana-70126	87	27	1350	1350	NUM
bibechana-70126	87	28	-	-	SYM
bibechana-70126	87	29	950	950	NUM
bibechana-70126	87	30	cm-1	cm-1	NOUN
bibechana-70126	87	31	,	,	PUNCT
bibechana-70126	87	32	and	and	CCONJ
bibechana-70126	87	33	1100	1100	NUM
bibechana-70126	87	34	-	-	SYM
bibechana-70126	87	35	600	600	NUM
bibechana-70126	87	36	cm-1	cm-1	NOUN
bibechana-70126	87	37	,	,	PUNCT
bibechana-70126	87	38	respectively	respectively	ADV
bibechana-70126	87	39	[	[	X
bibechana-70126	87	40	33	33	NUM
bibechana-70126	87	41	]	]	PUNCT
bibechana-70126	87	42	.	.	PUNCT
bibechana-70126	88	1	stretching	stretch	VERB
bibechana-70126	88	2	of	of	ADP
bibechana-70126	88	3	ch	ch	NOUN
bibechana-70126	88	4	was	be	AUX
bibechana-70126	88	5	calculated	calculate	VERB
bibechana-70126	88	6	to	to	PART
bibechana-70126	88	7	be	be	AUX
bibechana-70126	88	8	3076	3076	NUM
bibechana-70126	88	9	cm-1	cm-1	NOUN
bibechana-70126	88	10	,	,	PUNCT
bibechana-70126	88	11	with	with	ADP
bibechana-70126	88	12	in	in	ADP
bibechana-70126	88	13	-	-	PUNCT
bibechana-70126	88	14	plane	plane	NOUN
bibechana-70126	88	15	bending	bending	NOUN
bibechana-70126	88	16	at	at	ADP
bibechana-70126	88	17	1170	1170	NUM
bibechana-70126	88	18	cm-1	cm-1	NOUN
bibechana-70126	88	19	and	and	CCONJ
bibechana-70126	88	20	out	out	ADP
bibechana-70126	88	21	-	-	PUNCT
bibechana-70126	88	22	of	of	ADP
bibechana-70126	88	23	-	-	PUNCT
bibechana-70126	88	24	plane	plane	NOUN
bibechana-70126	88	25	bending	bending	NOUN
bibechana-70126	88	26	at	at	ADP
bibechana-70126	88	27	835	835	NUM
bibechana-70126	88	28	cm-1	cm-1	NOUN
bibechana-70126	88	29	.	.	PUNCT
bibechana-70126	89	1	c	c	X
bibechana-70126	89	2	-	-	PUNCT
bibechana-70126	89	3	c	c	NOUN
bibechana-70126	89	4	stretching	stretch	VERB
bibechana-70126	89	5	in	in	ADP
bibechana-70126	89	6	ring	ring	NOUN
bibechana-70126	89	7	r1	r1	PROPN
bibechana-70126	89	8	occurred	occur	VERB
bibechana-70126	89	9	at	at	ADP
bibechana-70126	89	10	1651	1651	NUM
bibechana-70126	89	11	,	,	PUNCT
bibechana-70126	89	12	1617	1617	NUM
bibechana-70126	89	13	,	,	PUNCT
bibechana-70126	89	14	1566	1566	NUM
bibechana-70126	89	15	,	,	PUNCT
bibechana-70126	89	16	1697	1697	NUM
bibechana-70126	89	17	,	,	PUNCT
bibechana-70126	89	18	1632	1632	NUM
bibechana-70126	89	19	,	,	PUNCT
bibechana-70126	89	20	1364	1364	NUM
bibechana-70126	89	21	and	and	CCONJ
bibechana-70126	89	22	1303	1303	NUM
bibechana-70126	89	23	cm-1	cm-1	NOUN
bibechana-70126	89	24	.	.	PUNCT
bibechana-70126	90	1	c	c	X
bibechana-70126	90	2	-	-	PUNCT
bibechana-70126	90	3	o	o	NOUN
bibechana-70126	90	4	stretching	stretching	NOUN
bibechana-70126	90	5	was	be	AUX
bibechana-70126	90	6	obtained	obtain	VERB
bibechana-70126	90	7	at	at	ADP
bibechana-70126	90	8	1224	1224	NUM
bibechana-70126	90	9	cm-1	cm-1	VERB
bibechana-70126	90	10	with	with	ADP
bibechana-70126	90	11	a	a	DET
bibechana-70126	90	12	22	22	NUM
bibechana-70126	90	13	%	%	NOUN
bibechana-70126	90	14	ped	ped	NOUN
bibechana-70126	90	15	contribution	contribution	NOUN
bibechana-70126	90	16	,	,	PUNCT
bibechana-70126	90	17	whereas	whereas	SCONJ
bibechana-70126	90	18	other	other	ADJ
bibechana-70126	90	19	c	c	X
bibechana-70126	90	20	-	-	PUNCT
bibechana-70126	90	21	o	o	NOUN
bibechana-70126	90	22	stretching	stretching	NOUN
bibechana-70126	90	23	had	have	VERB
bibechana-70126	90	24	a	a	DET
bibechana-70126	90	25	lower	low	ADJ
bibechana-70126	90	26	ped	ped	NOUN
bibechana-70126	90	27	contribution	contribution	NOUN
bibechana-70126	90	28	.	.	PUNCT
bibechana-70126	91	1	because	because	SCONJ
bibechana-70126	91	2	the	the	DET
bibechana-70126	91	3	ch3	ch3	PROPN
bibechana-70126	91	4	group	group	NOUN
bibechana-70126	91	5	is	be	AUX
bibechana-70126	91	6	attached	attach	VERB
bibechana-70126	91	7	to	to	ADP
bibechana-70126	91	8	the	the	DET
bibechana-70126	91	9	c	c	PROPN
bibechana-70126	91	10	-	-	PUNCT
bibechana-70126	91	11	o	o	NOUN
bibechana-70126	91	12	group	group	NOUN
bibechana-70126	91	13	,	,	PUNCT
bibechana-70126	91	14	the	the	DET
bibechana-70126	91	15	inplane	inplane	NOUN
bibechana-70126	91	16	and	and	CCONJ
bibechana-70126	91	17	out	out	ADP
bibechana-70126	91	18	-	-	PUNCT
bibechana-70126	91	19	of	of	ADP
bibechana-70126	91	20	-	-	PUNCT
bibechana-70126	91	21	plane	plane	NOUN
bibechana-70126	91	22	bending	bending	NOUN
bibechana-70126	91	23	contributes	contribute	VERB
bibechana-70126	91	24	significantly	significantly	ADV
bibechana-70126	91	25	less	less	ADV
bibechana-70126	91	26	in	in	ADP
bibechana-70126	91	27	ped	ped	NOUN
bibechana-70126	91	28	.	.	PUNCT
bibechana-70126	92	1	the	the	DET
bibechana-70126	92	2	ring	ring	NOUN
bibechana-70126	92	3	showed	show	VERB
bibechana-70126	92	4	trigonal	trigonal	ADJ
bibechana-70126	92	5	deformation	deformation	NOUN
bibechana-70126	92	6	at	at	ADP
bibechana-70126	92	7	712	712	NUM
bibechana-70126	92	8	cm-1	cm-1	NOUN
bibechana-70126	92	9	and	and	CCONJ
bibechana-70126	92	10	asymmetric	asymmetric	ADJ
bibechana-70126	92	11	deformation	deformation	NOUN
bibechana-70126	92	12	at	at	ADP
bibechana-70126	92	13	576	576	NUM
bibechana-70126	92	14	cm-1	cm-1	NOUN
bibechana-70126	92	15	,	,	PUNCT
bibechana-70126	92	16	with	with	ADP
bibechana-70126	92	17	a	a	DET
bibechana-70126	92	18	lower	low	ADJ
bibechana-70126	92	19	contribution	contribution	NOUN
bibechana-70126	92	20	from	from	ADP
bibechana-70126	92	21	ped	ped	NOUN
bibechana-70126	92	22	.	.	PUNCT
bibechana-70126	93	1	additionally	additionally	ADV
bibechana-70126	93	2	,	,	PUNCT
bibechana-70126	93	3	the	the	DET
bibechana-70126	93	4	ring	ring	NOUN
bibechana-70126	93	5	showed	show	VERB
bibechana-70126	93	6	puckering	puckering	NOUN
bibechana-70126	93	7	and	and	CCONJ
bibechana-70126	93	8	torsion	torsion	NOUN
bibechana-70126	93	9	at	at	ADP
bibechana-70126	93	10	768	768	NUM
bibechana-70126	93	11	and	and	CCONJ
bibechana-70126	93	12	629	629	NUM
bibechana-70126	93	13	cm-1	cm-1	NOUN
bibechana-70126	93	14	.	.	PUNCT
bibechana-70126	94	1	their	their	PRON
bibechana-70126	94	2	contribution	contribution	NOUN
bibechana-70126	94	3	with	with	ADP
bibechana-70126	94	4	the	the	DET
bibechana-70126	94	5	peak	peak	NOUN
bibechana-70126	94	6	observed	observe	VERB
bibechana-70126	94	7	in	in	ADP
bibechana-70126	94	8	ir	ir	PROPN
bibechana-70126	94	9	and	and	CCONJ
bibechana-70126	94	10	raman	raman	ADJ
bibechana-70126	94	11	spectra	spectra	NOUN
bibechana-70126	94	12	.	.	PUNCT
bibechana-70126	95	1	3.2.4	3.2.4	NUM
bibechana-70126	95	2	vibrations	vibration	NOUN
bibechana-70126	95	3	in	in	ADP
bibechana-70126	95	4	ring	ring	NOUN
bibechana-70126	95	5	r2	r2	PROPN
bibechana-70126	95	6	ring	ring	NOUN
bibechana-70126	95	7	r2	r2	PROPN
bibechana-70126	95	8	contains	contain	VERB
bibechana-70126	95	9	one	one	NUM
bibechana-70126	95	10	c	c	NOUN
bibechana-70126	95	11	-	-	PUNCT
bibechana-70126	95	12	h	h	NOUN
bibechana-70126	95	13	moiety	moiety	NOUN
bibechana-70126	95	14	and	and	CCONJ
bibechana-70126	95	15	one	one	NUM
bibechana-70126	95	16	c	c	NOUN
bibechana-70126	95	17	=	=	NOUN
bibechana-70126	95	18	o	o	NOUN
bibechana-70126	95	19	group	group	NOUN
bibechana-70126	95	20	.	.	PUNCT
bibechana-70126	96	1	the	the	DET
bibechana-70126	96	2	stretching	stretch	VERB
bibechana-70126	96	3	vibration	vibration	NOUN
bibechana-70126	96	4	of	of	ADP
bibechana-70126	96	5	c	c	NOUN
bibechana-70126	96	6	-	-	PUNCT
bibechana-70126	96	7	h	h	NOUN
bibechana-70126	96	8	was	be	AUX
bibechana-70126	96	9	obtained	obtain	VERB
bibechana-70126	96	10	at	at	ADP
bibechana-70126	96	11	3076	3076	NUM
bibechana-70126	96	12	cm-1	cm-1	VERB
bibechana-70126	96	13	with	with	ADP
bibechana-70126	96	14	in	in	ADP
bibechana-70126	96	15	-	-	PUNCT
bibechana-70126	96	16	plane	plane	NOUN
bibechana-70126	96	17	deformations	deformation	NOUN
bibechana-70126	96	18	and	and	CCONJ
bibechana-70126	96	19	out	out	ADP
bibechana-70126	96	20	-	-	PUNCT
bibechana-70126	96	21	of	of	ADP
bibechana-70126	96	22	-	-	PUNCT
bibechana-70126	96	23	plane	plane	NOUN
bibechana-70126	96	24	deformations	deformation	NOUN
bibechana-70126	96	25	computed	compute	VERB
bibechana-70126	96	26	at	at	ADP
bibechana-70126	96	27	1281	1281	NUM
bibechana-70126	96	28	,	,	PUNCT
bibechana-70126	96	29	1272	1272	NUM
bibechana-70126	96	30	cm-1	cm-1	NOUN
bibechana-70126	96	31	,	,	PUNCT
bibechana-70126	96	32	and	and	CCONJ
bibechana-70126	96	33	850	850	NUM
bibechana-70126	96	34	,	,	PUNCT
bibechana-70126	96	35	844	844	NUM
bibechana-70126	96	36	cm-1	cm-1	NOUN
bibechana-70126	96	37	respectively	respectively	ADV
bibechana-70126	96	38	.	.	PUNCT
bibechana-70126	97	1	the	the	DET
bibechana-70126	97	2	in	in	ADP
bibechana-70126	97	3	-	-	PUNCT
bibechana-70126	97	4	plane	plane	NOUN
bibechana-70126	97	5	bending	bending	NOUN
bibechana-70126	97	6	of	of	ADP
bibechana-70126	97	7	c	c	NOUN
bibechana-70126	97	8	-	-	PUNCT
bibechana-70126	97	9	h	h	NOUN
bibechana-70126	97	10	is	be	AUX
bibechana-70126	97	11	a	a	DET
bibechana-70126	97	12	lower	low	ADJ
bibechana-70126	97	13	ped	ped	NOUN
bibechana-70126	97	14	contribution	contribution	NOUN
bibechana-70126	97	15	.	.	PUNCT
bibechana-70126	98	1	the	the	DET
bibechana-70126	98	2	stretching	stretching	NOUN
bibechana-70126	98	3	of	of	ADP
bibechana-70126	98	4	co	co	VERB
bibechana-70126	98	5	occurred	occur	VERB
bibechana-70126	98	6	at	at	ADP
bibechana-70126	98	7	1605	1605	NUM
bibechana-70126	98	8	and	and	CCONJ
bibechana-70126	98	9	1586	1586	NUM
bibechana-70126	98	10	cm-1	cm-1	VERB
bibechana-70126	98	11	with	with	ADP
bibechana-70126	98	12	ped	ped	ADJ
bibechana-70126	98	13	contributions	contribution	NOUN
bibechana-70126	98	14	of	of	ADP
bibechana-70126	98	15	21	21	NUM
bibechana-70126	98	16	%	%	NOUN
bibechana-70126	98	17	and	and	CCONJ
bibechana-70126	98	18	15	15	NUM
bibechana-70126	98	19	%	%	NOUN
bibechana-70126	98	20	,	,	PUNCT
bibechana-70126	98	21	respectively	respectively	ADV
bibechana-70126	98	22	;	;	PUNCT
bibechana-70126	98	23	the	the	DET
bibechana-70126	98	24	lower	low	ADJ
bibechana-70126	98	25	ped	ped	ADJ
bibechana-70126	98	26	contribution	contribution	NOUN
bibechana-70126	98	27	of	of	ADP
bibechana-70126	98	28	the	the	DET
bibechana-70126	98	29	co	co	PROPN
bibechana-70126	98	30	group	group	NOUN
bibechana-70126	98	31	is	be	AUX
bibechana-70126	98	32	due	due	ADJ
bibechana-70126	98	33	to	to	ADP
bibechana-70126	98	34	its	its	PRON
bibechana-70126	98	35	participation	participation	NOUN
bibechana-70126	98	36	in	in	ADP
bibechana-70126	98	37	hydrogen	hydrogen	NOUN
bibechana-70126	98	38	bonding	bonding	NOUN
bibechana-70126	98	39	with	with	ADP
bibechana-70126	98	40	the	the	DET
bibechana-70126	98	41	o	o	ADJ
bibechana-70126	98	42	-	-	PROPN
bibechana-70126	98	43	h	h	PROPN
bibechana-70126	98	44	group	group	NOUN
bibechana-70126	98	45	of	of	ADP
bibechana-70126	98	46	ring	ring	NOUN
bibechana-70126	98	47	r1	r1	PROPN
bibechana-70126	98	48	.	.	PUNCT
bibechana-70126	99	1	the	the	DET
bibechana-70126	99	2	stretching	stretch	VERB
bibechana-70126	99	3	vibration	vibration	NOUN
bibechana-70126	99	4	of	of	ADP
bibechana-70126	99	5	c	c	NOUN
bibechana-70126	99	6	=	=	NOUN
bibechana-70126	99	7	o	o	NOUN
bibechana-70126	99	8	aligns	align	VERB
bibechana-70126	99	9	with	with	ADP
bibechana-70126	99	10	those	those	PRON
bibechana-70126	99	11	of	of	ADP
bibechana-70126	99	12	myricetin	myricetin	NOUN
bibechana-70126	99	13	at	at	ADP
bibechana-70126	99	14	1603	1603	NUM
bibechana-70126	99	15	and	and	CCONJ
bibechana-70126	99	16	1570	1570	NUM
bibechana-70126	99	17	cm-1	cm-1	NOUN
bibechana-70126	99	18	,	,	PUNCT
bibechana-70126	99	19	as	as	ADV
bibechana-70126	99	20	well	well	ADV
bibechana-70126	99	21	as	as	ADP
bibechana-70126	99	22	with	with	ADP
bibechana-70126	99	23	quercetin	quercetin	NOUN
bibechana-70126	99	24	at	at	ADP
bibechana-70126	99	25	1604	1604	NUM
bibechana-70126	99	26	and	and	CCONJ
bibechana-70126	99	27	1571	1571	NUM
bibechana-70126	99	28	cm-1	cm-1	X
bibechana-70126	100	1	[	[	X
bibechana-70126	100	2	31	31	NUM
bibechana-70126	100	3	]	]	PUNCT
bibechana-70126	100	4	.	.	PUNCT
bibechana-70126	101	1	c	c	X
bibechana-70126	101	2	-	-	PUNCT
bibechana-70126	101	3	c	c	NOUN
bibechana-70126	101	4	stretching	stretch	VERB
bibechana-70126	101	5	in	in	ADP
bibechana-70126	101	6	ring	ring	NOUN
bibechana-70126	101	7	r2	r2	PROPN
bibechana-70126	101	8	was	be	AUX
bibechana-70126	101	9	calculated	calculate	VERB
bibechana-70126	101	10	at	at	ADP
bibechana-70126	101	11	1586	1586	NUM
bibechana-70126	101	12	and	and	CCONJ
bibechana-70126	101	13	1281	1281	NUM
bibechana-70126	101	14	cm-1	cm-1	NOUN
bibechana-70126	101	15	.	.	PUNCT
bibechana-70126	102	1	the	the	DET
bibechana-70126	102	2	asymmetric	asymmetric	ADJ
bibechana-70126	102	3	torsion	torsion	NOUN
bibechana-70126	102	4	,	,	PUNCT
bibechana-70126	102	5	trigonal	trigonal	ADJ
bibechana-70126	102	6	deformation	deformation	NOUN
bibechana-70126	102	7	,	,	PUNCT
bibechana-70126	102	8	asymmetric	asymmetric	ADJ
bibechana-70126	102	9	deformation	deformation	NOUN
bibechana-70126	102	10	,	,	PUNCT
bibechana-70126	102	11	and	and	CCONJ
bibechana-70126	102	12	ring	ring	NOUN
bibechana-70126	102	13	puckering	puckering	NOUN
bibechana-70126	102	14	occurred	occur	VERB
bibechana-70126	102	15	at	at	ADP
bibechana-70126	102	16	693	693	NUM
bibechana-70126	102	17	,	,	PUNCT
bibechana-70126	102	18	524	524	NUM
bibechana-70126	102	19	,	,	PUNCT
bibechana-70126	102	20	891	891	NUM
bibechana-70126	102	21	,	,	PUNCT
bibechana-70126	102	22	and	and	CCONJ
bibechana-70126	102	23	738	738	NUM
bibechana-70126	102	24	cm-1	cm-1	NOUN
bibechana-70126	102	25	,	,	PUNCT
bibechana-70126	102	26	respectively	respectively	ADV
bibechana-70126	102	27	,	,	PUNCT
bibechana-70126	102	28	but	but	CCONJ
bibechana-70126	102	29	had	have	VERB
bibechana-70126	102	30	a	a	DET
bibechana-70126	102	31	lower	low	ADJ
bibechana-70126	102	32	ped	ped	NOUN
bibechana-70126	102	33	contribution	contribution	NOUN
bibechana-70126	102	34	.	.	PUNCT
bibechana-70126	103	1	3.2.5	3.2.5	NUM
bibechana-70126	103	2	vibration	vibration	NOUN
bibechana-70126	103	3	in	in	ADP
bibechana-70126	103	4	ring	ring	NOUN
bibechana-70126	103	5	r3	r3	PROPN
bibechana-70126	103	6	in	in	ADP
bibechana-70126	103	7	ring	ring	NOUN
bibechana-70126	103	8	r3	r3	PROPN
bibechana-70126	103	9	,	,	PUNCT
bibechana-70126	103	10	there	there	PRON
bibechana-70126	103	11	are	be	VERB
bibechana-70126	103	12	three	three	NUM
bibechana-70126	103	13	c	c	NOUN
bibechana-70126	103	14	-	-	PUNCT
bibechana-70126	103	15	h	h	NOUN
bibechana-70126	103	16	groups	group	NOUN
bibechana-70126	103	17	with	with	ADP
bibechana-70126	103	18	two	two	NUM
bibechana-70126	103	19	co	co	NOUN
bibechana-70126	103	20	groups	group	NOUN
bibechana-70126	103	21	attached	attach	VERB
bibechana-70126	103	22	to	to	ADP
bibechana-70126	103	23	hydrogen	hydrogen	NOUN
bibechana-70126	103	24	and	and	CCONJ
bibechana-70126	103	25	methyl	methyl	NOUN
bibechana-70126	103	26	groups	group	NOUN
bibechana-70126	103	27	.	.	PUNCT
bibechana-70126	104	1	the	the	DET
bibechana-70126	104	2	c	c	NOUN
bibechana-70126	104	3	-	-	PUNCT
bibechana-70126	104	4	h	h	NOUN
bibechana-70126	104	5	stretching	stretching	NOUN
bibechana-70126	104	6	wavenumber	wavenumber	NOUN
bibechana-70126	104	7	were	be	AUX
bibechana-70126	104	8	obtained	obtain	VERB
bibechana-70126	104	9	at	at	ADP
bibechana-70126	104	10	3092	3092	NUM
bibechana-70126	104	11	,	,	PUNCT
bibechana-70126	104	12	3064	3064	NUM
bibechana-70126	104	13	,	,	PUNCT
bibechana-70126	104	14	and	and	CCONJ
bibechana-70126	104	15	3022	3022	NUM
bibechana-70126	104	16	cm-1	cm-1	NOUN
bibechana-70126	104	17	,	,	PUNCT
bibechana-70126	104	18	while	while	SCONJ
bibechana-70126	104	19	the	the	DET
bibechana-70126	104	20	in	in	ADP
bibechana-70126	104	21	-	-	PUNCT
bibechana-70126	104	22	plane	plane	NOUN
bibechana-70126	104	23	bending	bending	NOUN
bibechana-70126	104	24	was	be	AUX
bibechana-70126	104	25	computed	compute	VERB
bibechana-70126	104	26	at	at	ADP
bibechana-70126	104	27	1529	1529	NUM
bibechana-70126	104	28	and	and	CCONJ
bibechana-70126	104	29	1178	1178	NUM
bibechana-70126	104	30	cm-1	cm-1	NOUN
bibechana-70126	104	31	,	,	PUNCT
bibechana-70126	104	32	and	and	CCONJ
bibechana-70126	104	33	the	the	DET
bibechana-70126	104	34	out	out	NOUN
bibechana-70126	104	35	of	of	ADP
bibechana-70126	104	36	plane	plane	NOUN
bibechana-70126	104	37	bending	bending	NOUN
bibechana-70126	104	38	were	be	AUX
bibechana-70126	104	39	occurred	occur	VERB
bibechana-70126	104	40	at	at	ADP
bibechana-70126	104	41	925	925	NUM
bibechana-70126	104	42	and	and	CCONJ
bibechana-70126	104	43	812	812	NUM
bibechana-70126	104	44	cm-1	cm-1	NOUN
bibechana-70126	104	45	.	.	PUNCT
bibechana-70126	105	1	the	the	DET
bibechana-70126	105	2	stretching	stretching	NOUN
bibechana-70126	105	3	of	of	ADP
bibechana-70126	105	4	c	c	NOUN
bibechana-70126	105	5	-	-	PUNCT
bibechana-70126	105	6	o	o	NOUN
bibechana-70126	105	7	was	be	AUX
bibechana-70126	105	8	computed	compute	VERB
bibechana-70126	105	9	at	at	ADP
bibechana-70126	105	10	1529	1529	NUM
bibechana-70126	105	11	,	,	PUNCT
bibechana-70126	105	12	1303	1303	NUM
bibechana-70126	105	13	,	,	PUNCT
bibechana-70126	105	14	and	and	CCONJ
bibechana-70126	105	15	1272	1272	NUM
bibechana-70126	105	16	cm-1	cm-1	NOUN
bibechana-70126	105	17	,	,	PUNCT
bibechana-70126	105	18	while	while	SCONJ
bibechana-70126	105	19	its	its	PRON
bibechana-70126	105	20	in	in	ADP
bibechana-70126	105	21	-	-	PUNCT
bibechana-70126	105	22	plane	plane	NOUN
bibechana-70126	105	23	bending	bending	NOUN
bibechana-70126	105	24	and	and	CCONJ
bibechana-70126	105	25	out	out	ADP
bibechana-70126	105	26	-	-	PUNCT
bibechana-70126	105	27	of	of	ADP
bibechana-70126	105	28	-	-	PUNCT
bibechana-70126	105	29	plane	plane	NOUN
bibechana-70126	105	30	bending	bending	NOUN
bibechana-70126	105	31	were	be	AUX
bibechana-70126	105	32	computed	compute	VERB
bibechana-70126	105	33	at	at	ADP
bibechana-70126	105	34	560	560	NUM
bibechana-70126	105	35	and	and	CCONJ
bibechana-70126	105	36	467	467	NUM
bibechana-70126	105	37	cm-1	cm-1	NOUN
bibechana-70126	105	38	,	,	PUNCT
bibechana-70126	105	39	respectively	respectively	ADV
bibechana-70126	105	40	,	,	PUNCT
bibechana-70126	105	41	with	with	ADP
bibechana-70126	105	42	lower	low	ADJ
bibechana-70126	105	43	contribution	contribution	NOUN
bibechana-70126	105	44	in	in	ADP
bibechana-70126	105	45	ped	ped	NOUN
bibechana-70126	105	46	.	.	PUNCT
bibechana-70126	106	1	the	the	DET
bibechana-70126	106	2	c	c	NOUN
bibechana-70126	106	3	-	-	PUNCT
bibechana-70126	106	4	c	c	NOUN
bibechana-70126	106	5	stretching	stretching	NOUN
bibechana-70126	106	6	in	in	ADP
bibechana-70126	106	7	the	the	DET
bibechana-70126	106	8	ring	ring	NOUN
bibechana-70126	106	9	was	be	AUX
bibechana-70126	106	10	determined	determine	VERB
bibechana-70126	106	11	at	at	ADP
bibechana-70126	106	12	1605	1605	NUM
bibechana-70126	106	13	,	,	PUNCT
bibechana-70126	106	14	1604	1604	NUM
bibechana-70126	106	15	,	,	PUNCT
bibechana-70126	106	16	1426	1426	NUM
bibechana-70126	106	17	,	,	PUNCT
bibechana-70126	106	18	1415	1415	NUM
bibechana-70126	106	19	,	,	PUNCT
bibechana-70126	106	20	1374	1374	NUM
bibechana-70126	106	21	,	,	PUNCT
bibechana-70126	106	22	and	and	CCONJ
bibechana-70126	106	23	1293	1293	NUM
bibechana-70126	106	24	cm-1	cm-1	NOUN
bibechana-70126	106	25	.	.	PUNCT
bibechana-70126	107	1	the	the	DET
bibechana-70126	107	2	trigonal	trigonal	ADJ
bibechana-70126	107	3	and	and	CCONJ
bibechana-70126	107	4	asymmetric	asymmetric	ADJ
bibechana-70126	107	5	deformations	deformation	NOUN
bibechana-70126	107	6	in	in	ADP
bibechana-70126	107	7	the	the	DET
bibechana-70126	107	8	ring	ring	NOUN
bibechana-70126	107	9	occurred	occur	VERB
bibechana-70126	107	10	at	at	ADP
bibechana-70126	107	11	1272	1272	NUM
bibechana-70126	107	12	,	,	PUNCT
bibechana-70126	107	13	1052	1052	NUM
bibechana-70126	107	14	cm-1	cm-1	NOUN
bibechana-70126	107	15	and	and	CCONJ
bibechana-70126	107	16	675	675	NUM
bibechana-70126	107	17	,	,	PUNCT
bibechana-70126	107	18	642	642	NUM
bibechana-70126	107	19	,	,	PUNCT
bibechana-70126	107	20	536	536	NUM
bibechana-70126	107	21	,	,	PUNCT
bibechana-70126	107	22	and	and	CCONJ
bibechana-70126	107	23	524	524	NUM
bibechana-70126	107	24	cm-1	cm-1	NOUN
bibechana-70126	107	25	,	,	PUNCT
bibechana-70126	107	26	respectively	respectively	ADV
bibechana-70126	107	27	.	.	PUNCT
bibechana-70126	108	1	the	the	DET
bibechana-70126	108	2	puckering	pucker	VERB
bibechana-70126	108	3	and	and	CCONJ
bibechana-70126	108	4	asymmetric	asymmetric	ADJ
bibechana-70126	108	5	torsion	torsion	NOUN
bibechana-70126	108	6	values	value	NOUN
bibechana-70126	108	7	were	be	AUX
bibechana-70126	108	8	calculated	calculate	VERB
bibechana-70126	108	9	at	at	ADP
bibechana-70126	108	10	878	878	NUM
bibechana-70126	108	11	,	,	PUNCT
bibechana-70126	108	12	741	741	NUM
bibechana-70126	108	13	,	,	PUNCT
bibechana-70126	108	14	738	738	NUM
bibechana-70126	108	15	,	,	PUNCT
bibechana-70126	108	16	and	and	CCONJ
bibechana-70126	108	17	583	583	NUM
bibechana-70126	108	18	cm-1	cm-1	NOUN
bibechana-70126	108	19	and	and	CCONJ
bibechana-70126	108	20	812	812	NUM
bibechana-70126	108	21	,	,	PUNCT
bibechana-70126	108	22	583	583	NUM
bibechana-70126	108	23	,	,	PUNCT
bibechana-70126	108	24	467	467	NUM
bibechana-70126	108	25	,	,	PUNCT
bibechana-70126	108	26	and	and	CCONJ
bibechana-70126	108	27	449	449	NUM
bibechana-70126	108	28	cm-1	cm-1	NOUN
bibechana-70126	108	29	,	,	PUNCT
bibechana-70126	108	30	respectively	respectively	ADV
bibechana-70126	108	31	.	.	PUNCT
bibechana-70126	109	1	tirth	tirth	PROPN
bibechana-70126	109	2	raj	raj	PROPN
bibechana-70126	109	3	paneru	paneru	PROPN
bibechana-70126	109	4	et	et	PROPN
bibechana-70126	109	5	al./	al./	ADV
bibechana-70126	109	6	bibechana	bibechana	PROPN
bibechana-70126	109	7	22	22	NUM
bibechana-70126	109	8	(	(	PUNCT
bibechana-70126	109	9	2025	2025	NUM
bibechana-70126	109	10	)	)	PUNCT
bibechana-70126	109	11	1	1	NUM
bibechana-70126	109	12	-	-	SYM
bibechana-70126	109	13	14	14	NUM
bibechana-70126	109	14	5	5	NUM
bibechana-70126	109	15	tirth	tirth	NOUN
bibechana-70126	109	16	raj	raj	PROPN
bibechana-70126	109	17	paneru	paneru	PROPN
bibechana-70126	109	18	et	et	PROPN
bibechana-70126	109	19	al./	al./	ADV
bibechana-70126	109	20	bibechana	bibechana	PROPN
bibechana-70126	109	21	22	22	NUM
bibechana-70126	109	22	(	(	PUNCT
bibechana-70126	109	23	2025	2025	NUM
bibechana-70126	109	24	)	)	PUNCT
bibechana-70126	109	25	1	1	NUM
bibechana-70126	109	26	-	-	SYM
bibechana-70126	109	27	14	14	NUM
bibechana-70126	109	28	6	6	NUM
bibechana-70126	109	29	tirth	tirth	NOUN
bibechana-70126	109	30	raj	raj	PROPN
bibechana-70126	109	31	paneru	paneru	PROPN
bibechana-70126	109	32	et	et	PROPN
bibechana-70126	109	33	al./	al./	ADV
bibechana-70126	109	34	bibechana	bibechana	PROPN
bibechana-70126	109	35	22	22	NUM
bibechana-70126	109	36	(	(	PUNCT
bibechana-70126	109	37	2025	2025	NUM
bibechana-70126	109	38	)	)	PUNCT
bibechana-70126	109	39	1	1	NUM
bibechana-70126	109	40	-	-	SYM
bibechana-70126	109	41	14	14	NUM
bibechana-70126	109	42	7	7	NUM
bibechana-70126	109	43	3.3	3.3	NUM
bibechana-70126	109	44	density	density	NOUN
bibechana-70126	109	45	of	of	ADP
bibechana-70126	109	46	states	state	NOUN
bibechana-70126	109	47	(	(	PUNCT
bibechana-70126	109	48	dos	do	NOUN
bibechana-70126	109	49	)	)	PUNCT
bibechana-70126	109	50	when	when	SCONJ
bibechana-70126	109	51	an	an	DET
bibechana-70126	109	52	electron	electron	NOUN
bibechana-70126	109	53	transitions	transition	NOUN
bibechana-70126	109	54	from	from	ADP
bibechana-70126	109	55	the	the	DET
bibechana-70126	109	56	valence	valence	NOUN
bibechana-70126	109	57	band	band	NOUN
bibechana-70126	109	58	to	to	ADP
bibechana-70126	109	59	the	the	DET
bibechana-70126	109	60	conduction	conduction	NOUN
bibechana-70126	109	61	band	band	NOUN
bibechana-70126	109	62	,	,	PUNCT
bibechana-70126	109	63	it	it	PRON
bibechana-70126	109	64	results	result	VERB
bibechana-70126	109	65	in	in	ADP
bibechana-70126	109	66	a	a	DET
bibechana-70126	109	67	definitive	definitive	ADJ
bibechana-70126	109	68	change	change	NOUN
bibechana-70126	109	69	in	in	ADP
bibechana-70126	109	70	the	the	DET
bibechana-70126	109	71	density	density	NOUN
bibechana-70126	109	72	of	of	ADP
bibechana-70126	109	73	states	state	NOUN
bibechana-70126	109	74	[	[	X
bibechana-70126	109	75	34	34	NUM
bibechana-70126	109	76	]	]	PUNCT
bibechana-70126	109	77	.	.	PUNCT
bibechana-70126	110	1	the	the	DET
bibechana-70126	110	2	density	density	NOUN
bibechana-70126	110	3	of	of	ADP
bibechana-70126	110	4	state	state	NOUN
bibechana-70126	110	5	spectra	spectra	PROPN
bibechana-70126	110	6	produced	produce	VERB
bibechana-70126	110	7	in	in	ADP
bibechana-70126	110	8	the	the	DET
bibechana-70126	110	9	gausssum	gausssum	NOUN
bibechana-70126	110	10	3.0	3.0	NUM
bibechana-70126	110	11	software	software	NOUN
bibechana-70126	110	12	with	with	ADP
bibechana-70126	110	13	a	a	DET
bibechana-70126	110	14	full	full	ADJ
bibechana-70126	110	15	width	width	NOUN
bibechana-70126	110	16	at	at	ADP
bibechana-70126	110	17	half	half	ADJ
bibechana-70126	110	18	maximum	maximum	ADJ
bibechana-70126	110	19	(	(	PUNCT
bibechana-70126	110	20	fwhm	fwhm	NOUN
bibechana-70126	110	21	)	)	PUNCT
bibechana-70126	110	22	of	of	ADP
bibechana-70126	110	23	0.3	0.3	NUM
bibechana-70126	110	24	ev	ev	NOUN
bibechana-70126	110	25	.	.	PUNCT
bibechana-70126	111	1	the	the	DET
bibechana-70126	111	2	dos	do	NOUN
bibechana-70126	111	3	spectrum	spectrum	VERB
bibechana-70126	111	4	for	for	ADP
bibechana-70126	111	5	cirsilineol	cirsilineol	NOUN
bibechana-70126	111	6	in	in	ADP
bibechana-70126	111	7	the	the	DET
bibechana-70126	111	8	gaseous	gaseous	ADJ
bibechana-70126	111	9	and	and	CCONJ
bibechana-70126	111	10	solvent	solvent	ADJ
bibechana-70126	111	11	phase	phase	NOUN
bibechana-70126	111	12	ethanol	ethanol	NOUN
bibechana-70126	111	13	is	be	AUX
bibechana-70126	111	14	shown	show	VERB
bibechana-70126	111	15	in	in	ADP
bibechana-70126	111	16	fig	fig	NOUN
bibechana-70126	111	17	.	.	PUNCT
bibechana-70126	112	1	3	3	X
bibechana-70126	112	2	.	.	X
bibechana-70126	112	3	bonding	bonding	NOUN
bibechana-70126	112	4	interaction	interaction	NOUN
bibechana-70126	112	5	is	be	AUX
bibechana-70126	112	6	suggested	suggest	VERB
bibechana-70126	112	7	by	by	ADP
bibechana-70126	112	8	a	a	DET
bibechana-70126	112	9	positive	positive	ADJ
bibechana-70126	112	10	value	value	NOUN
bibechana-70126	112	11	on	on	ADP
bibechana-70126	112	12	the	the	DET
bibechana-70126	112	13	dos	do	NOUN
bibechana-70126	112	14	spectrum	spectrum	NOUN
bibechana-70126	112	15	,	,	PUNCT
bibechana-70126	112	16	anti	anti	ADJ
bibechana-70126	112	17	-	-	ADJ
bibechana-70126	112	18	bonding	bonding	NOUN
bibechana-70126	112	19	is	be	AUX
bibechana-70126	112	20	indicated	indicate	VERB
bibechana-70126	112	21	by	by	ADP
bibechana-70126	112	22	a	a	DET
bibechana-70126	112	23	negative	negative	ADJ
bibechana-70126	112	24	value	value	NOUN
bibechana-70126	112	25	,	,	PUNCT
bibechana-70126	112	26	and	and	CCONJ
bibechana-70126	112	27	no	no	DET
bibechana-70126	112	28	bonding	bonding	NOUN
bibechana-70126	112	29	is	be	AUX
bibechana-70126	112	30	indicated	indicate	VERB
bibechana-70126	112	31	by	by	ADP
bibechana-70126	112	32	a	a	DET
bibechana-70126	112	33	zero	zero	NUM
bibechana-70126	112	34	value	value	NOUN
bibechana-70126	112	35	.	.	PUNCT
bibechana-70126	113	1	the	the	DET
bibechana-70126	113	2	green	green	ADJ
bibechana-70126	113	3	lines	line	NOUN
bibechana-70126	113	4	in	in	ADP
bibechana-70126	113	5	the	the	DET
bibechana-70126	113	6	spectrum	spectrum	NOUN
bibechana-70126	113	7	represent	represent	VERB
bibechana-70126	113	8	the	the	DET
bibechana-70126	113	9	highest	high	ADJ
bibechana-70126	113	10	occupied	occupy	VERB
bibechana-70126	113	11	molecular	molecular	ADJ
bibechana-70126	113	12	orbital	orbital	ADJ
bibechana-70126	113	13	(	(	PUNCT
bibechana-70126	113	14	homo	homo	NOUN
bibechana-70126	113	15	)	)	PUNCT
bibechana-70126	113	16	,	,	PUNCT
bibechana-70126	113	17	while	while	SCONJ
bibechana-70126	113	18	the	the	DET
bibechana-70126	113	19	red	red	ADJ
bibechana-70126	113	20	lines	line	NOUN
bibechana-70126	113	21	represent	represent	VERB
bibechana-70126	113	22	the	the	DET
bibechana-70126	113	23	lowest	low	ADJ
bibechana-70126	113	24	unoccupied	unoccupied	ADJ
bibechana-70126	113	25	molecular	molecular	ADJ
bibechana-70126	113	26	orbital	orbital	ADJ
bibechana-70126	113	27	(	(	PUNCT
bibechana-70126	113	28	lumo	lumo	NOUN
bibechana-70126	113	29	)	)	PUNCT
bibechana-70126	113	30	.	.	PUNCT
bibechana-70126	114	1	acceptor	acceptor	NOUN
bibechana-70126	114	2	orbitals	orbital	NOUN
bibechana-70126	114	3	are	be	AUX
bibechana-70126	114	4	represented	represent	VERB
bibechana-70126	114	5	by	by	ADP
bibechana-70126	114	6	virtual	virtual	ADJ
bibechana-70126	114	7	orbitals	orbital	NOUN
bibechana-70126	114	8	,	,	PUNCT
bibechana-70126	114	9	and	and	CCONJ
bibechana-70126	114	10	donor	donor	NOUN
bibechana-70126	114	11	orbitals	orbital	NOUN
bibechana-70126	114	12	are	be	AUX
bibechana-70126	114	13	represented	represent	VERB
bibechana-70126	114	14	by	by	ADP
bibechana-70126	114	15	occupied	occupied	ADJ
bibechana-70126	114	16	orbitals	orbital	NOUN
bibechana-70126	114	17	.	.	PUNCT
bibechana-70126	115	1	the	the	DET
bibechana-70126	115	2	high	high	ADJ
bibechana-70126	115	3	intensity	intensity	NOUN
bibechana-70126	115	4	of	of	ADP
bibechana-70126	115	5	dos	do	NOUN
bibechana-70126	115	6	represent	represent	VERB
bibechana-70126	115	7	multiple	multiple	ADJ
bibechana-70126	115	8	state	state	NOUN
bibechana-70126	115	9	of	of	ADP
bibechana-70126	115	10	occupation	occupation	NOUN
bibechana-70126	115	11	at	at	ADP
bibechana-70126	115	12	that	that	DET
bibechana-70126	115	13	energy	energy	NOUN
bibechana-70126	115	14	level	level	NOUN
bibechana-70126	115	15	[	[	X
bibechana-70126	115	16	35	35	NUM
bibechana-70126	115	17	]	]	PUNCT
bibechana-70126	115	18	.	.	PUNCT
bibechana-70126	116	1	it	it	PRON
bibechana-70126	116	2	was	be	AUX
bibechana-70126	116	3	found	find	VERB
bibechana-70126	116	4	that	that	SCONJ
bibechana-70126	116	5	the	the	DET
bibechana-70126	116	6	energy	energy	NOUN
bibechana-70126	116	7	gap	gap	NOUN
bibechana-70126	116	8	in	in	ADP
bibechana-70126	116	9	the	the	DET
bibechana-70126	116	10	dos	do	NOUN
bibechana-70126	116	11	spectrum	spectrum	NOUN
bibechana-70126	116	12	and	and	CCONJ
bibechana-70126	116	13	the	the	DET
bibechana-70126	116	14	homo	homo	NOUN
bibechana-70126	116	15	-	-	PUNCT
bibechana-70126	116	16	lumo	lumo	NOUN
bibechana-70126	116	17	gap	gap	NOUN
bibechana-70126	116	18	in	in	ADP
bibechana-70126	116	19	cirsilineol	cirsilineol	NOUN
bibechana-70126	116	20	were	be	AUX
bibechana-70126	116	21	identical	identical	ADJ
bibechana-70126	116	22	.	.	PUNCT
bibechana-70126	117	1	cirsilineol	cirsilineol	NOUN
bibechana-70126	117	2	is	be	AUX
bibechana-70126	117	3	more	more	ADV
bibechana-70126	117	4	reactive	reactive	ADJ
bibechana-70126	117	5	in	in	ADP
bibechana-70126	117	6	the	the	DET
bibechana-70126	117	7	ethanol	ethanol	NOUN
bibechana-70126	117	8	solvent	solvent	NOUN
bibechana-70126	117	9	and	and	CCONJ
bibechana-70126	117	10	stable	stable	ADJ
bibechana-70126	117	11	in	in	ADP
bibechana-70126	117	12	the	the	DET
bibechana-70126	117	13	gaseous	gaseous	ADJ
bibechana-70126	117	14	medium	medium	NOUN
bibechana-70126	117	15	because	because	SCONJ
bibechana-70126	117	16	the	the	DET
bibechana-70126	117	17	energy	energy	NOUN
bibechana-70126	117	18	gap	gap	NOUN
bibechana-70126	117	19	in	in	ADP
bibechana-70126	117	20	the	the	DET
bibechana-70126	117	21	solvent	solvent	NOUN
bibechana-70126	117	22	phase	phase	NOUN
bibechana-70126	117	23	was	be	AUX
bibechana-70126	117	24	found	find	VERB
bibechana-70126	117	25	to	to	PART
bibechana-70126	117	26	be	be	AUX
bibechana-70126	117	27	less	less	ADJ
bibechana-70126	117	28	than	than	ADP
bibechana-70126	117	29	that	that	PRON
bibechana-70126	117	30	of	of	ADP
bibechana-70126	117	31	the	the	DET
bibechana-70126	117	32	gaseous	gaseous	ADJ
bibechana-70126	117	33	phase	phase	NOUN
bibechana-70126	117	34	.	.	PUNCT
bibechana-70126	118	1	3.4	3.4	NUM
bibechana-70126	118	2	uv	uv	NOUN
bibechana-70126	118	3	-	-	PUNCT
bibechana-70126	118	4	v	v	NOUN
bibechana-70126	118	5	is	be	AUX
bibechana-70126	118	6	spectrum	spectrum	NOUN
bibechana-70126	118	7	and	and	CCONJ
bibechana-70126	118	8	electronic	electronic	ADJ
bibechana-70126	118	9	transition	transition	NOUN
bibechana-70126	118	10	uv	uv	NOUN
bibechana-70126	118	11	-	-	PUNCT
bibechana-70126	118	12	vis	vis	X
bibechana-70126	118	13	spectroscopy	spectroscopy	NOUN
bibechana-70126	118	14	is	be	AUX
bibechana-70126	118	15	the	the	DET
bibechana-70126	118	16	most	most	ADV
bibechana-70126	118	17	fundamental	fundamental	ADJ
bibechana-70126	118	18	tool	tool	NOUN
bibechana-70126	118	19	for	for	ADP
bibechana-70126	118	20	analyzing	analyze	VERB
bibechana-70126	118	21	the	the	DET
bibechana-70126	118	22	absorption	absorption	NOUN
bibechana-70126	118	23	properties	property	NOUN
bibechana-70126	118	24	of	of	ADP
bibechana-70126	118	25	pharmacological	pharmacological	ADJ
bibechana-70126	118	26	molecules	molecule	NOUN
bibechana-70126	118	27	,	,	PUNCT
bibechana-70126	118	28	allowing	allow	VERB
bibechana-70126	118	29	us	we	PRON
bibechana-70126	118	30	to	to	PART
bibechana-70126	118	31	better	well	ADV
bibechana-70126	118	32	comprehend	comprehend	VERB
bibechana-70126	118	33	intraand	intraand	NOUN
bibechana-70126	118	34	intermolecular	intermolecular	ADJ
bibechana-70126	118	35	interactions	interaction	NOUN
bibechana-70126	118	36	[	[	X
bibechana-70126	118	37	36	36	NUM
bibechana-70126	118	38	]	]	PUNCT
bibechana-70126	118	39	.	.	PUNCT
bibechana-70126	119	1	in	in	ADP
bibechana-70126	119	2	this	this	DET
bibechana-70126	119	3	study	study	NOUN
bibechana-70126	119	4	,	,	PUNCT
bibechana-70126	119	5	the	the	DET
bibechana-70126	119	6	uv	uv	NOUN
bibechana-70126	119	7	-	-	PUNCT
bibechana-70126	119	8	vis	vis	X
bibechana-70126	119	9	spectrum	spectrum	NOUN
bibechana-70126	119	10	was	be	AUX
bibechana-70126	119	11	plotted	plot	VERB
bibechana-70126	119	12	in	in	ADP
bibechana-70126	119	13	gaseous	gaseous	ADJ
bibechana-70126	119	14	and	and	CCONJ
bibechana-70126	119	15	solvent	solvent	ADJ
bibechana-70126	119	16	phase	phase	NOUN
bibechana-70126	119	17	ethanol	ethanol	NOUN
bibechana-70126	119	18	using	use	VERB
bibechana-70126	119	19	td	td	NOUN
bibechana-70126	119	20	-	-	PUNCT
bibechana-70126	119	21	dft	dft	NOUN
bibechana-70126	119	22	in	in	ADP
bibechana-70126	119	23	the	the	DET
bibechana-70126	119	24	ief	ief	ADJ
bibechana-70126	119	25	-	-	PUNCT
bibechana-70126	119	26	pcm	pcm	NOUN
bibechana-70126	119	27	model	model	NOUN
bibechana-70126	119	28	to	to	PART
bibechana-70126	119	29	analyze	analyze	VERB
bibechana-70126	119	30	the	the	DET
bibechana-70126	119	31	electronic	electronic	ADJ
bibechana-70126	119	32	transition	transition	NOUN
bibechana-70126	119	33	between	between	ADP
bibechana-70126	119	34	homo	homo	NOUN
bibechana-70126	119	35	and	and	CCONJ
bibechana-70126	119	36	lumo	lumo	NOUN
bibechana-70126	120	1	[	[	X
bibechana-70126	120	2	37	37	NUM
bibechana-70126	120	3	]	]	PUNCT
bibechana-70126	120	4	.	.	PUNCT
bibechana-70126	121	1	table	table	NOUN
bibechana-70126	121	2	2	2	NUM
bibechana-70126	121	3	presents	present	VERB
bibechana-70126	121	4	the	the	DET
bibechana-70126	121	5	major	major	ADJ
bibechana-70126	121	6	electron	electron	NOUN
bibechana-70126	121	7	transitions	transition	NOUN
bibechana-70126	121	8	along	along	ADP
bibechana-70126	121	9	with	with	ADP
bibechana-70126	121	10	their	their	PRON
bibechana-70126	121	11	corresponding	corresponding	ADJ
bibechana-70126	121	12	excitation	excitation	NOUN
bibechana-70126	121	13	energies	energy	NOUN
bibechana-70126	121	14	,	,	PUNCT
bibechana-70126	121	15	absorption	absorption	NOUN
bibechana-70126	121	16	wavelengths	wavelength	NOUN
bibechana-70126	121	17	,	,	PUNCT
bibechana-70126	121	18	and	and	CCONJ
bibechana-70126	121	19	oscillator	oscillator	NOUN
bibechana-70126	121	20	strengths	strength	NOUN
bibechana-70126	121	21	.	.	PUNCT
bibechana-70126	122	1	fig	fig	NOUN
bibechana-70126	122	2	.	.	PUNCT
bibechana-70126	123	1	4	4	NUM
bibechana-70126	123	2	displays	display	VERB
bibechana-70126	123	3	the	the	DET
bibechana-70126	123	4	uv	uv	NOUN
bibechana-70126	123	5	-	-	PUNCT
bibechana-70126	123	6	vis	vis	X
bibechana-70126	123	7	absorption	absorption	NOUN
bibechana-70126	123	8	spectra	spectra	NOUN
bibechana-70126	123	9	of	of	ADP
bibechana-70126	123	10	cirsilineol	cirsilineol	NOUN
bibechana-70126	123	11	in	in	ADP
bibechana-70126	123	12	gaseous	gaseous	ADJ
bibechana-70126	123	13	medium	medium	NOUN
bibechana-70126	123	14	and	and	CCONJ
bibechana-70126	123	15	solvent	solvent	NOUN
bibechana-70126	123	16	(	(	PUNCT
bibechana-70126	123	17	water	water	NOUN
bibechana-70126	123	18	,	,	PUNCT
bibechana-70126	123	19	ethanol	ethanol	NOUN
bibechana-70126	123	20	,	,	PUNCT
bibechana-70126	123	21	and	and	CCONJ
bibechana-70126	123	22	methanol	methanol	NOUN
bibechana-70126	123	23	)	)	PUNCT
bibechana-70126	123	24	.	.	PUNCT
bibechana-70126	124	1	the	the	DET
bibechana-70126	124	2	transition	transition	NOUN
bibechana-70126	124	3	from	from	ADP
bibechana-70126	124	4	homo→lumo	homo→lumo	PROPN
bibechana-70126	124	5	is	be	AUX
bibechana-70126	124	6	the	the	DET
bibechana-70126	124	7	first	first	ADJ
bibechana-70126	124	8	excited	excited	ADJ
bibechana-70126	124	9	state	state	NOUN
bibechana-70126	124	10	has	have	VERB
bibechana-70126	124	11	an	an	DET
bibechana-70126	124	12	absorption	absorption	NOUN
bibechana-70126	124	13	wavelength	wavelength	NOUN
bibechana-70126	124	14	of	of	ADP
bibechana-70126	124	15	363.40	363.40	NUM
bibechana-70126	124	16	nm	nm	NOUN
bibechana-70126	124	17	with	with	ADP
bibechana-70126	124	18	excitation	excitation	NOUN
bibechana-70126	124	19	energy	energy	NOUN
bibechana-70126	124	20	of	of	ADP
bibechana-70126	124	21	3.41	3.41	NUM
bibechana-70126	124	22	ev	ev	NOUN
bibechana-70126	124	23	in	in	ADP
bibechana-70126	124	24	a	a	DET
bibechana-70126	124	25	gaseous	gaseous	ADJ
bibechana-70126	124	26	medium	medium	NOUN
bibechana-70126	124	27	and	and	CCONJ
bibechana-70126	124	28	an	an	DET
bibechana-70126	124	29	absorption	absorption	NOUN
bibechana-70126	124	30	wavelength	wavelength	NOUN
bibechana-70126	124	31	of	of	ADP
bibechana-70126	124	32	359.80	359.80	NUM
bibechana-70126	124	33	nm	nm	NOUN
bibechana-70126	124	34	with	with	ADP
bibechana-70126	124	35	excitation	excitation	NOUN
bibechana-70126	124	36	energy	energy	NOUN
bibechana-70126	124	37	of	of	ADP
bibechana-70126	124	38	3.44	3.44	NUM
bibechana-70126	124	39	ev	ev	NOUN
bibechana-70126	124	40	in	in	ADP
bibechana-70126	124	41	solvent	solvent	NOUN
bibechana-70126	124	42	ethanol	ethanol	NOUN
bibechana-70126	124	43	.	.	PUNCT
bibechana-70126	125	1	the	the	DET
bibechana-70126	125	2	absorption	absorption	NOUN
bibechana-70126	125	3	in	in	ADP
bibechana-70126	125	4	solvents	solvent	NOUN
bibechana-70126	125	5	shifted	shift	VERB
bibechana-70126	125	6	to	to	ADP
bibechana-70126	125	7	a	a	DET
bibechana-70126	125	8	shorter	short	ADJ
bibechana-70126	125	9	wavelength	wavelength	NOUN
bibechana-70126	125	10	is	be	AUX
bibechana-70126	125	11	a	a	DET
bibechana-70126	125	12	blue	blue	ADJ
bibechana-70126	125	13	shift	shift	NOUN
bibechana-70126	125	14	,	,	PUNCT
bibechana-70126	125	15	because	because	SCONJ
bibechana-70126	125	16	the	the	DET
bibechana-70126	125	17	polarity	polarity	NOUN
bibechana-70126	125	18	of	of	ADP
bibechana-70126	125	19	solvent	solvent	NOUN
bibechana-70126	125	20	increases	increase	NOUN
bibechana-70126	125	21	.	.	PUNCT
bibechana-70126	126	1	the	the	DET
bibechana-70126	126	2	decreases	decrease	NOUN
bibechana-70126	126	3	in	in	ADP
bibechana-70126	126	4	absorption	absorption	NOUN
bibechana-70126	126	5	wavelength	wavelength	NOUN
bibechana-70126	126	6	in	in	ADP
bibechana-70126	126	7	solvent	solvent	ADJ
bibechana-70126	126	8	ethanol	ethanol	NOUN
bibechana-70126	126	9	are	be	AUX
bibechana-70126	126	10	due	due	ADJ
bibechana-70126	126	11	to	to	ADP
bibechana-70126	126	12	the	the	DET
bibechana-70126	126	13	transition	transition	NOUN
bibechana-70126	126	14	from	from	ADP
bibechana-70126	126	15	n→π∗	n→π∗	PROPN
bibechana-70126	127	1	[	[	X
bibechana-70126	127	2	38	38	NUM
bibechana-70126	127	3	]	]	PUNCT
bibechana-70126	127	4	.	.	PUNCT
bibechana-70126	128	1	figure	figure	NOUN
bibechana-70126	128	2	5	5	NUM
bibechana-70126	128	3	depicts	depict	VERB
bibechana-70126	128	4	the	the	DET
bibechana-70126	128	5	significant	significant	ADJ
bibechana-70126	128	6	transition	transition	NOUN
bibechana-70126	128	7	between	between	ADP
bibechana-70126	128	8	homo	homo	NOUN
bibechana-70126	128	9	and	and	CCONJ
bibechana-70126	128	10	lumo	lumo	NOUN
bibechana-70126	128	11	of	of	ADP
bibechana-70126	128	12	cirsilineol	cirsilineol	NOUN
bibechana-70126	128	13	in	in	ADP
bibechana-70126	128	14	gaseous	gaseous	ADJ
bibechana-70126	128	15	and	and	CCONJ
bibechana-70126	128	16	solvent	solvent	ADJ
bibechana-70126	128	17	ethanol	ethanol	NOUN
bibechana-70126	128	18	.	.	PUNCT
bibechana-70126	129	1	the	the	DET
bibechana-70126	129	2	solvent	solvent	NOUN
bibechana-70126	129	3	facilitates	facilitate	VERB
bibechana-70126	129	4	charge	charge	NOUN
bibechana-70126	129	5	transfer	transfer	NOUN
bibechana-70126	129	6	more	more	ADV
bibechana-70126	129	7	readily	readily	ADV
bibechana-70126	129	8	than	than	ADP
bibechana-70126	129	9	a	a	DET
bibechana-70126	129	10	gaseous	gaseous	ADJ
bibechana-70126	129	11	medium	medium	NOUN
bibechana-70126	129	12	;	;	PUNCT
bibechana-70126	129	13	hence	hence	ADV
bibechana-70126	129	14	,	,	PUNCT
bibechana-70126	129	15	the	the	DET
bibechana-70126	129	16	band	band	NOUN
bibechana-70126	129	17	gap	gap	NOUN
bibechana-70126	129	18	in	in	ADP
bibechana-70126	129	19	a	a	DET
bibechana-70126	129	20	solvent	solvent	NOUN
bibechana-70126	129	21	decreases	decrease	NOUN
bibechana-70126	129	22	,	,	PUNCT
bibechana-70126	129	23	which	which	PRON
bibechana-70126	129	24	increases	increase	VERB
bibechana-70126	129	25	its	its	PRON
bibechana-70126	129	26	reactivity	reactivity	NOUN
bibechana-70126	129	27	.	.	PUNCT
bibechana-70126	130	1	figure	figure	NOUN
bibechana-70126	130	2	3a	3a	NUM
bibechana-70126	130	3	:	:	PUNCT
bibechana-70126	130	4	density	density	NOUN
bibechana-70126	130	5	of	of	ADP
bibechana-70126	130	6	states	state	NOUN
bibechana-70126	130	7	spectrum	spectrum	VERB
bibechana-70126	130	8	of	of	ADP
bibechana-70126	130	9	cirsilineol	cirsilineol	NOUN
bibechana-70126	130	10	in	in	ADP
bibechana-70126	130	11	(	(	PUNCT
bibechana-70126	130	12	a	a	PRON
bibechana-70126	130	13	)	)	PUNCT
bibechana-70126	130	14	gaseous	gaseous	ADJ
bibechana-70126	130	15	and	and	CCONJ
bibechana-70126	130	16	(	(	PUNCT
bibechana-70126	130	17	b	b	NOUN
bibechana-70126	130	18	)	)	PUNCT
bibechana-70126	130	19	solvent	solvent	NOUN
bibechana-70126	130	20	(	(	PUNCT
bibechana-70126	130	21	etoh	etoh	NOUN
bibechana-70126	130	22	)	)	PUNCT
bibechana-70126	130	23	phases	phase	NOUN
bibechana-70126	130	24	.	.	PUNCT
bibechana-70126	131	1	figure	figure	VERB
bibechana-70126	131	2	4	4	NUM
bibechana-70126	131	3	:	:	PUNCT
bibechana-70126	131	4	the	the	DET
bibechana-70126	131	5	uv	uv	NOUN
bibechana-70126	131	6	-	-	PUNCT
bibechana-70126	131	7	vis	vis	X
bibechana-70126	131	8	absorption	absorption	NOUN
bibechana-70126	131	9	spectrum	spectrum	NOUN
bibechana-70126	131	10	of	of	ADP
bibechana-70126	131	11	cirsilineol	cirsilineol	NOUN
bibechana-70126	131	12	(	(	PUNCT
bibechana-70126	131	13	in	in	ADP
bibechana-70126	131	14	gas	gas	NOUN
bibechana-70126	131	15	and	and	CCONJ
bibechana-70126	131	16	solvent	solvent	NOUN
bibechana-70126	131	17	phases	phase	NOUN
bibechana-70126	131	18	)	)	PUNCT
bibechana-70126	131	19	.	.	PUNCT
bibechana-70126	132	1	figure	figure	VERB
bibechana-70126	132	2	5	5	NUM
bibechana-70126	132	3	:	:	PUNCT
bibechana-70126	132	4	major	major	ADJ
bibechana-70126	132	5	transition	transition	NOUN
bibechana-70126	132	6	between	between	ADP
bibechana-70126	132	7	homo	homo	NOUN
bibechana-70126	132	8	and	and	CCONJ
bibechana-70126	132	9	lumo	lumo	NOUN
bibechana-70126	132	10	in	in	ADP
bibechana-70126	132	11	gaseous	gaseous	ADJ
bibechana-70126	132	12	and	and	CCONJ
bibechana-70126	132	13	solvent	solvent	ADJ
bibechana-70126	132	14	etoh	etoh	NOUN
bibechana-70126	132	15	phases	phase	NOUN
bibechana-70126	132	16	.	.	PUNCT
bibechana-70126	133	1	tirth	tirth	PROPN
bibechana-70126	133	2	raj	raj	PROPN
bibechana-70126	133	3	paneru	paneru	PROPN
bibechana-70126	133	4	et	et	PROPN
bibechana-70126	133	5	al./	al./	ADV
bibechana-70126	133	6	bibechana	bibechana	PROPN
bibechana-70126	133	7	22	22	NUM
bibechana-70126	133	8	(	(	PUNCT
bibechana-70126	133	9	2025	2025	NUM
bibechana-70126	133	10	)	)	PUNCT
bibechana-70126	133	11	1	1	NUM
bibechana-70126	133	12	-	-	SYM
bibechana-70126	133	13	14	14	NUM
bibechana-70126	133	14	8	8	NUM
bibechana-70126	133	15	3.5	3.5	NUM
bibechana-70126	133	16	electrostatic	electrostatic	ADJ
bibechana-70126	133	17	potential	potential	NOUN
bibechana-70126	133	18	(	(	PUNCT
bibechana-70126	133	19	esp	esp	ADJ
bibechana-70126	133	20	)	)	PUNCT
bibechana-70126	133	21	surface	surface	NOUN
bibechana-70126	133	22	analysis	analysis	NOUN
bibechana-70126	133	23	the	the	DET
bibechana-70126	133	24	foundation	foundation	NOUN
bibechana-70126	133	25	for	for	ADP
bibechana-70126	133	26	the	the	DET
bibechana-70126	133	27	biological	biological	ADJ
bibechana-70126	133	28	activity	activity	NOUN
bibechana-70126	133	29	of	of	ADP
bibechana-70126	133	30	a	a	DET
bibechana-70126	133	31	drug	drug	NOUN
bibechana-70126	133	32	molecule	molecule	NOUN
bibechana-70126	133	33	can	can	AUX
bibechana-70126	133	34	be	be	AUX
bibechana-70126	133	35	laid	lay	VERB
bibechana-70126	133	36	by	by	ADP
bibechana-70126	133	37	understanding	understand	VERB
bibechana-70126	133	38	the	the	DET
bibechana-70126	133	39	intermolecular	intermolecular	ADJ
bibechana-70126	133	40	interactions	interaction	NOUN
bibechana-70126	133	41	in	in	ADP
bibechana-70126	133	42	molecules	molecule	NOUN
bibechana-70126	133	43	through	through	ADP
bibechana-70126	133	44	the	the	DET
bibechana-70126	133	45	use	use	NOUN
bibechana-70126	133	46	of	of	ADP
bibechana-70126	133	47	the	the	DET
bibechana-70126	133	48	electrostatic	electrostatic	ADJ
bibechana-70126	133	49	potential	potential	ADJ
bibechana-70126	133	50	surface	surface	NOUN
bibechana-70126	134	1	[	[	X
bibechana-70126	134	2	39	39	NUM
bibechana-70126	134	3	]	]	PUNCT
bibechana-70126	134	4	.	.	PUNCT
bibechana-70126	135	1	esp	esp	PROPN
bibechana-70126	135	2	displayed	display	VERB
bibechana-70126	135	3	to	to	ADP
bibechana-70126	135	4	the	the	DET
bibechana-70126	135	5	surface	surface	NOUN
bibechana-70126	135	6	extrema	extrema	NOUN
bibechana-70126	135	7	of	of	ADP
bibechana-70126	135	8	cirsilineol	cirsilineol	NOUN
bibechana-70126	135	9	is	be	AUX
bibechana-70126	135	10	shown	show	VERB
bibechana-70126	135	11	in	in	ADP
bibechana-70126	135	12	fig	fig	NOUN
bibechana-70126	135	13	.	.	PUNCT
bibechana-70126	136	1	6	6	NUM
bibechana-70126	136	2	.	.	PUNCT
bibechana-70126	137	1	the	the	DET
bibechana-70126	137	2	points	point	NOUN
bibechana-70126	137	3	of	of	ADP
bibechana-70126	137	4	minimal	minimal	ADJ
bibechana-70126	137	5	and	and	CCONJ
bibechana-70126	137	6	highest	high	ADJ
bibechana-70126	137	7	esp	esp	ADJ
bibechana-70126	137	8	were	be	AUX
bibechana-70126	137	9	indicated	indicate	VERB
bibechana-70126	137	10	in	in	ADP
bibechana-70126	137	11	the	the	DET
bibechana-70126	137	12	figure	figure	NOUN
bibechana-70126	137	13	by	by	ADP
bibechana-70126	137	14	the	the	DET
bibechana-70126	137	15	blue	blue	ADJ
bibechana-70126	137	16	and	and	CCONJ
bibechana-70126	137	17	orange	orange	NOUN
bibechana-70126	137	18	spots	spot	NOUN
bibechana-70126	137	19	[	[	X
bibechana-70126	137	20	40	40	NUM
bibechana-70126	137	21	]	]	PUNCT
bibechana-70126	137	22	.	.	PUNCT
bibechana-70126	138	1	the	the	DET
bibechana-70126	138	2	regions	region	NOUN
bibechana-70126	138	3	of	of	ADP
bibechana-70126	138	4	positive	positive	ADJ
bibechana-70126	138	5	and	and	CCONJ
bibechana-70126	138	6	negative	negative	ADJ
bibechana-70126	138	7	potential	potential	NOUN
bibechana-70126	138	8	on	on	ADP
bibechana-70126	138	9	the	the	DET
bibechana-70126	138	10	molecule	molecule	NOUN
bibechana-70126	138	11	's	's	PART
bibechana-70126	138	12	surface	surface	NOUN
bibechana-70126	138	13	were	be	AUX
bibechana-70126	138	14	represented	represent	VERB
bibechana-70126	138	15	by	by	ADP
bibechana-70126	138	16	the	the	DET
bibechana-70126	138	17	colors	color	NOUN
bibechana-70126	138	18	blue	blue	NOUN
bibechana-70126	138	19	and	and	CCONJ
bibechana-70126	138	20	red	red	ADJ
bibechana-70126	138	21	,	,	PUNCT
bibechana-70126	138	22	respectively	respectively	ADV
bibechana-70126	138	23	.	.	PUNCT
bibechana-70126	139	1	the	the	DET
bibechana-70126	139	2	global	global	ADJ
bibechana-70126	139	3	minimum	minimum	ADJ
bibechana-70126	139	4	potential	potential	NOUN
bibechana-70126	139	5	of	of	ADP
bibechana-70126	139	6	the	the	DET
bibechana-70126	139	7	molecule	molecule	NOUN
bibechana-70126	139	8	was	be	AUX
bibechana-70126	139	9	determined	determine	VERB
bibechana-70126	139	10	to	to	PART
bibechana-70126	139	11	be	be	AUX
bibechana-70126	139	12	-38.38	-38.38	PROPN
bibechana-70126	139	13	kcal	kcal	PROPN
bibechana-70126	139	14	/	/	SYM
bibechana-70126	139	15	mol	mol	PROPN
bibechana-70126	139	16	,	,	PUNCT
bibechana-70126	139	17	which	which	PRON
bibechana-70126	139	18	is	be	AUX
bibechana-70126	139	19	attributed	attribute	VERB
bibechana-70126	139	20	to	to	ADP
bibechana-70126	139	21	o5	o5	PROPN
bibechana-70126	139	22	.	.	PUNCT
bibechana-70126	140	1	the	the	DET
bibechana-70126	140	2	global	global	ADJ
bibechana-70126	140	3	maximum	maximum	ADJ
bibechana-70126	140	4	potential	potential	NOUN
bibechana-70126	140	5	was	be	AUX
bibechana-70126	140	6	found	find	VERB
bibechana-70126	140	7	to	to	PART
bibechana-70126	140	8	be	be	AUX
bibechana-70126	140	9	56.88	56.88	NUM
bibechana-70126	140	10	kcal	kcal	NOUN
bibechana-70126	140	11	/	/	SYM
bibechana-70126	140	12	mol	mol	PROPN
bibechana-70126	140	13	,	,	PUNCT
bibechana-70126	140	14	corresponding	correspond	VERB
bibechana-70126	140	15	to	to	ADP
bibechana-70126	140	16	h38	h38	NOUN
bibechana-70126	140	17	.	.	PUNCT
bibechana-70126	141	1	the	the	DET
bibechana-70126	141	2	largest	large	ADJ
bibechana-70126	141	3	positive	positive	ADJ
bibechana-70126	141	4	potential	potential	NOUN
bibechana-70126	141	5	on	on	ADP
bibechana-70126	141	6	h38	h38	NOUN
bibechana-70126	141	7	is	be	AUX
bibechana-70126	141	8	due	due	ADJ
bibechana-70126	141	9	to	to	ADP
bibechana-70126	141	10	its	its	PRON
bibechana-70126	141	11	attachment	attachment	NOUN
bibechana-70126	141	12	to	to	ADP
bibechana-70126	141	13	oxygen	oxygen	NOUN
bibechana-70126	141	14	,	,	PUNCT
bibechana-70126	141	15	which	which	PRON
bibechana-70126	141	16	attracts	attract	VERB
bibechana-70126	141	17	a	a	DET
bibechana-70126	141	18	large	large	ADJ
bibechana-70126	141	19	number	number	NOUN
bibechana-70126	141	20	of	of	ADP
bibechana-70126	141	21	electrons	electron	NOUN
bibechana-70126	141	22	from	from	ADP
bibechana-70126	141	23	h38	h38	NOUN
bibechana-70126	141	24	.	.	PUNCT
bibechana-70126	142	1	this	this	PRON
bibechana-70126	142	2	shows	show	VERB
bibechana-70126	142	3	that	that	SCONJ
bibechana-70126	142	4	the	the	DET
bibechana-70126	142	5	most	most	ADV
bibechana-70126	142	6	effective	effective	ADJ
bibechana-70126	142	7	electrophile	electrophile	NOUN
bibechana-70126	142	8	and	and	CCONJ
bibechana-70126	142	9	nucleophile	nucleophile	ADJ
bibechana-70126	142	10	for	for	ADP
bibechana-70126	142	11	participating	participate	VERB
bibechana-70126	142	12	in	in	ADP
bibechana-70126	142	13	intermolecular	intermolecular	ADJ
bibechana-70126	142	14	interactions	interaction	NOUN
bibechana-70126	142	15	are	be	AUX
bibechana-70126	142	16	h38	h38	NOUN
bibechana-70126	142	17	and	and	CCONJ
bibechana-70126	142	18	o5	o5	PROPN
bibechana-70126	142	19	,	,	PUNCT
bibechana-70126	142	20	respectively	respectively	ADV
bibechana-70126	142	21	.	.	PUNCT
bibechana-70126	143	1	the	the	DET
bibechana-70126	143	2	intermolecular	intermolecular	ADJ
bibechana-70126	143	3	hydrogen	hydrogen	NOUN
bibechana-70126	143	4	bonding	bonding	NOUN
bibechana-70126	143	5	formed	form	VERB
bibechana-70126	143	6	by	by	ADP
bibechana-70126	143	7	intermolecular	intermolecular	ADJ
bibechana-70126	143	8	interaction	interaction	NOUN
bibechana-70126	143	9	h38	h38	NOUN
bibechana-70126	143	10	.	.	PUNCT
bibechana-70126	143	11	.	.	PUNCT
bibechana-70126	143	12	.	.	PUNCT
bibechana-70126	144	1	o5	o5	PROPN
bibechana-70126	144	2	can	can	AUX
bibechana-70126	144	3	form	form	VERB
bibechana-70126	144	4	the	the	DET
bibechana-70126	144	5	crystal	crystal	NOUN
bibechana-70126	144	6	-	-	PUNCT
bibechana-70126	144	7	packing	packing	NOUN
bibechana-70126	144	8	of	of	ADP
bibechana-70126	144	9	cirsilineol	cirsilineol	NOUN
bibechana-70126	144	10	.	.	PUNCT
bibechana-70126	145	1	all	all	DET
bibechana-70126	145	2	hydrogens	hydrogen	NOUN
bibechana-70126	145	3	in	in	ADP
bibechana-70126	145	4	the	the	DET
bibechana-70126	145	5	molecule	molecule	NOUN
bibechana-70126	145	6	have	have	VERB
bibechana-70126	145	7	positive	positive	ADJ
bibechana-70126	145	8	potential	potential	NOUN
bibechana-70126	145	9	,	,	PUNCT
bibechana-70126	145	10	while	while	SCONJ
bibechana-70126	145	11	oxygen	oxygen	NOUN
bibechana-70126	145	12	has	have	VERB
bibechana-70126	145	13	negative	negative	ADJ
bibechana-70126	145	14	potential	potential	NOUN
bibechana-70126	145	15	.	.	PUNCT
bibechana-70126	146	1	3.6	3.6	NUM
bibechana-70126	146	2	natural	natural	ADJ
bibechana-70126	146	3	population	population	NOUN
bibechana-70126	146	4	analysis	analysis	NOUN
bibechana-70126	146	5	mullikens	mulliken	VERB
bibechana-70126	146	6	charges	charge	NOUN
bibechana-70126	146	7	are	be	AUX
bibechana-70126	146	8	highly	highly	ADV
bibechana-70126	146	9	sensitive	sensitive	ADJ
bibechana-70126	146	10	to	to	ADP
bibechana-70126	146	11	the	the	DET
bibechana-70126	146	12	choice	choice	NOUN
bibechana-70126	146	13	of	of	ADP
bibechana-70126	146	14	basis	basis	NOUN
bibechana-70126	146	15	sets	set	NOUN
bibechana-70126	146	16	;	;	PUNCT
bibechana-70126	146	17	hence	hence	ADV
bibechana-70126	146	18	,	,	PUNCT
bibechana-70126	146	19	natural	natural	ADJ
bibechana-70126	146	20	population	population	NOUN
bibechana-70126	146	21	analysis	analysis	NOUN
bibechana-70126	146	22	is	be	AUX
bibechana-70126	146	23	an	an	DET
bibechana-70126	146	24	alternative	alternative	NOUN
bibechana-70126	146	25	to	to	ADP
bibechana-70126	146	26	it	it	PRON
bibechana-70126	146	27	,	,	PUNCT
bibechana-70126	146	28	which	which	PRON
bibechana-70126	146	29	better	well	ADV
bibechana-70126	146	30	describes	describe	VERB
bibechana-70126	146	31	the	the	DET
bibechana-70126	146	32	electron	electron	NOUN
bibechana-70126	146	33	distribution	distribution	NOUN
bibechana-70126	146	34	in	in	ADP
bibechana-70126	146	35	the	the	DET
bibechana-70126	146	36	compounds	compound	NOUN
bibechana-70126	146	37	[	[	X
bibechana-70126	146	38	41	41	NUM
bibechana-70126	146	39	]	]	PUNCT
bibechana-70126	146	40	.	.	PUNCT
bibechana-70126	147	1	the	the	DET
bibechana-70126	147	2	natural	natural	ADJ
bibechana-70126	147	3	population	population	NOUN
bibechana-70126	147	4	analysis	analysis	NOUN
bibechana-70126	147	5	determines	determine	VERB
bibechana-70126	147	6	the	the	DET
bibechana-70126	147	7	natural	natural	ADJ
bibechana-70126	147	8	atomic	atomic	ADJ
bibechana-70126	147	9	orbitals	orbital	NOUN
bibechana-70126	147	10	and	and	CCONJ
bibechana-70126	147	11	their	their	PRON
bibechana-70126	147	12	occupancies	occupancy	NOUN
bibechana-70126	147	13	and	and	CCONJ
bibechana-70126	147	14	provides	provide	VERB
bibechana-70126	147	15	a	a	DET
bibechana-70126	147	16	natural	natural	ADJ
bibechana-70126	147	17	atomic	atomic	ADJ
bibechana-70126	147	18	charge	charge	NOUN
bibechana-70126	147	19	on	on	ADP
bibechana-70126	147	20	each	each	DET
bibechana-70126	147	21	atom	atom	NOUN
bibechana-70126	148	1	[	[	X
bibechana-70126	148	2	42	42	NUM
bibechana-70126	148	3	]	]	PUNCT
bibechana-70126	148	4	.	.	PUNCT
bibechana-70126	149	1	the	the	DET
bibechana-70126	149	2	natural	natural	ADJ
bibechana-70126	149	3	charges	charge	NOUN
bibechana-70126	149	4	on	on	ADP
bibechana-70126	149	5	each	each	DET
bibechana-70126	149	6	atom	atom	NOUN
bibechana-70126	149	7	of	of	ADP
bibechana-70126	149	8	cirsilineol	cirsilineol	NOUN
bibechana-70126	149	9	calculated	calculate	VERB
bibechana-70126	149	10	at	at	ADP
bibechana-70126	149	11	b3lyp/6	b3lyp/6	NOUN
bibechana-70126	149	12	-	-	NOUN
bibechana-70126	149	13	311++g(d	311++g(d	ADJ
bibechana-70126	149	14	,	,	PUNCT
bibechana-70126	149	15	p	p	NOUN
bibechana-70126	149	16	)	)	PUNCT
bibechana-70126	149	17	level	level	NOUN
bibechana-70126	149	18	of	of	ADP
bibechana-70126	149	19	theory	theory	NOUN
bibechana-70126	149	20	are	be	AUX
bibechana-70126	149	21	presented	present	VERB
bibechana-70126	149	22	in	in	ADP
bibechana-70126	149	23	table	table	NOUN
bibechana-70126	149	24	3	3	NUM
bibechana-70126	149	25	.	.	PUNCT
bibechana-70126	150	1	the	the	DET
bibechana-70126	150	2	graph	graph	NOUN
bibechana-70126	150	3	plotted	plot	VERB
bibechana-70126	150	4	between	between	ADP
bibechana-70126	150	5	natural	natural	ADJ
bibechana-70126	150	6	charges	charge	NOUN
bibechana-70126	150	7	and	and	CCONJ
bibechana-70126	150	8	each	each	DET
bibechana-70126	150	9	atom	atom	NOUN
bibechana-70126	150	10	of	of	ADP
bibechana-70126	150	11	the	the	DET
bibechana-70126	150	12	cirsilineol	cirsilineol	NOUN
bibechana-70126	150	13	is	be	AUX
bibechana-70126	150	14	also	also	ADV
bibechana-70126	150	15	shown	show	VERB
bibechana-70126	150	16	in	in	ADP
bibechana-70126	150	17	fig	fig	NOUN
bibechana-70126	150	18	.	.	PUNCT
bibechana-70126	151	1	7	7	X
bibechana-70126	151	2	.	.	X
bibechana-70126	151	3	all	all	DET
bibechana-70126	151	4	the	the	DET
bibechana-70126	151	5	hydrogen	hydrogen	NOUN
bibechana-70126	151	6	atoms	atom	NOUN
bibechana-70126	151	7	have	have	VERB
bibechana-70126	151	8	positive	positive	ADJ
bibechana-70126	151	9	charges	charge	NOUN
bibechana-70126	151	10	,	,	PUNCT
bibechana-70126	151	11	with	with	ADP
bibechana-70126	151	12	h31	h31	ADJ
bibechana-70126	151	13	being	be	AUX
bibechana-70126	151	14	the	the	DET
bibechana-70126	151	15	most	most	ADV
bibechana-70126	151	16	electrondeficient	electrondeficient	NOUN
bibechana-70126	151	17	and	and	CCONJ
bibechana-70126	151	18	exhibiting	exhibit	VERB
bibechana-70126	151	19	the	the	DET
bibechana-70126	151	20	highest	high	ADJ
bibechana-70126	151	21	positive	positive	ADJ
bibechana-70126	151	22	charge	charge	NOUN
bibechana-70126	151	23	.	.	PUNCT
bibechana-70126	152	1	therefore	therefore	ADV
bibechana-70126	152	2	,	,	PUNCT
bibechana-70126	152	3	h31	h31	PROPN
bibechana-70126	152	4	is	be	AUX
bibechana-70126	152	5	the	the	DET
bibechana-70126	152	6	most	most	ADV
bibechana-70126	152	7	favorable	favorable	ADJ
bibechana-70126	152	8	site	site	NOUN
bibechana-70126	152	9	for	for	ADP
bibechana-70126	152	10	nucleophilic	nucleophilic	ADJ
bibechana-70126	152	11	attack	attack	NOUN
bibechana-70126	152	12	.	.	PUNCT
bibechana-70126	153	1	conversely	conversely	ADV
bibechana-70126	153	2	,	,	PUNCT
bibechana-70126	153	3	all	all	DET
bibechana-70126	153	4	the	the	DET
bibechana-70126	153	5	oxygen	oxygen	NOUN
bibechana-70126	153	6	atoms	atom	NOUN
bibechana-70126	153	7	have	have	VERB
bibechana-70126	153	8	negative	negative	ADJ
bibechana-70126	153	9	charges	charge	NOUN
bibechana-70126	153	10	,	,	PUNCT
bibechana-70126	153	11	with	with	ADP
bibechana-70126	153	12	o4	o4	PROPN
bibechana-70126	153	13	and	and	CCONJ
bibechana-70126	153	14	o5	o5	PROPN
bibechana-70126	153	15	displaying	display	VERB
bibechana-70126	153	16	the	the	DET
bibechana-70126	153	17	highest	high	ADJ
bibechana-70126	153	18	negative	negative	ADJ
bibechana-70126	153	19	charges	charge	NOUN
bibechana-70126	153	20	and	and	CCONJ
bibechana-70126	153	21	possessing	possess	VERB
bibechana-70126	153	22	excess	excess	ADJ
bibechana-70126	153	23	electrons	electron	NOUN
bibechana-70126	153	24	.	.	PUNCT
bibechana-70126	154	1	consequently	consequently	ADV
bibechana-70126	154	2	,	,	PUNCT
bibechana-70126	154	3	o4	o4	PROPN
bibechana-70126	154	4	and	and	CCONJ
bibechana-70126	154	5	o5	o5	PROPN
bibechana-70126	154	6	are	be	AUX
bibechana-70126	154	7	potential	potential	ADJ
bibechana-70126	154	8	sites	site	NOUN
bibechana-70126	154	9	for	for	ADP
bibechana-70126	154	10	electrophilic	electrophilic	ADJ
bibechana-70126	154	11	attack	attack	NOUN
bibechana-70126	154	12	.	.	PUNCT
bibechana-70126	155	1	due	due	ADP
bibechana-70126	155	2	to	to	ADP
bibechana-70126	155	3	this	this	DET
bibechana-70126	155	4	consequence	consequence	NOUN
bibechana-70126	155	5	the	the	DET
bibechana-70126	155	6	intra	intra	ADJ
bibechana-70126	155	7	-	-	ADJ
bibechana-70126	155	8	molecular	molecular	ADJ
bibechana-70126	155	9	hydrogen	hydrogen	NOUN
bibechana-70126	155	10	bonding	bonding	NOUN
bibechana-70126	155	11	o4h31	o4h31	PROPN
bibechana-70126	155	12	.	.	PUNCT
bibechana-70126	155	13	.	.	PUNCT
bibechana-70126	155	14	.	.	PUNCT
bibechana-70126	156	1	o5	o5	PROPN
bibechana-70126	156	2	was	be	AUX
bibechana-70126	156	3	formed	form	VERB
bibechana-70126	156	4	.	.	PUNCT
bibechana-70126	157	1	c16	c16	PROPN
bibechana-70126	157	2	,	,	PUNCT
bibechana-70126	157	3	which	which	PRON
bibechana-70126	157	4	has	have	VERB
bibechana-70126	157	5	the	the	DET
bibechana-70126	157	6	highest	high	ADJ
bibechana-70126	157	7	negative	negative	ADJ
bibechana-70126	157	8	charge	charge	NOUN
bibechana-70126	157	9	of	of	ADP
bibechana-70126	157	10	-0.3396	-0.3396	PROPN
bibechana-70126	157	11	e	e	NOUN
bibechana-70126	157	12	,	,	PUNCT
bibechana-70126	157	13	behaves	behave	VERB
bibechana-70126	157	14	as	as	ADP
bibechana-70126	157	15	a	a	DET
bibechana-70126	157	16	nucleophile	nucleophile	NOUN
bibechana-70126	157	17	,	,	PUNCT
bibechana-70126	157	18	while	while	SCONJ
bibechana-70126	157	19	c12	c12	NOUN
bibechana-70126	157	20	exhibits	exhibit	VERB
bibechana-70126	157	21	the	the	DET
bibechana-70126	157	22	highest	high	ADJ
bibechana-70126	157	23	positive	positive	ADJ
bibechana-70126	157	24	charge	charge	NOUN
bibechana-70126	157	25	of	of	ADP
bibechana-70126	157	26	0.4840	0.4840	NUM
bibechana-70126	157	27	e	e	NOUN
bibechana-70126	157	28	and	and	CCONJ
bibechana-70126	157	29	acts	act	VERB
bibechana-70126	157	30	as	as	ADP
bibechana-70126	157	31	an	an	DET
bibechana-70126	157	32	electrophile	electrophile	NOUN
bibechana-70126	157	33	.	.	PUNCT
bibechana-70126	158	1	figure	figure	NOUN
bibechana-70126	158	2	6	6	NUM
bibechana-70126	158	3	:	:	PUNCT
bibechana-70126	158	4	esp	esp	ADV
bibechana-70126	158	5	mapped	map	VERB
bibechana-70126	158	6	molecular	molecular	ADJ
bibechana-70126	158	7	vdw	vdw	NOUN
bibechana-70126	158	8	surface	surface	NOUN
bibechana-70126	158	9	of	of	ADP
bibechana-70126	158	10	cirsilineol	cirsilineol	NOUN
bibechana-70126	158	11	.	.	PUNCT
bibechana-70126	159	1	tirth	tirth	PROPN
bibechana-70126	159	2	raj	raj	PROPN
bibechana-70126	159	3	paneru	paneru	PROPN
bibechana-70126	159	4	et	et	PROPN
bibechana-70126	159	5	al./	al./	ADV
bibechana-70126	159	6	bibechana	bibechana	PROPN
bibechana-70126	159	7	22	22	NUM
bibechana-70126	159	8	(	(	PUNCT
bibechana-70126	159	9	2025	2025	NUM
bibechana-70126	159	10	)	)	PUNCT
bibechana-70126	159	11	1	1	NUM
bibechana-70126	159	12	-	-	SYM
bibechana-70126	159	13	14	14	NUM
bibechana-70126	159	14	9	9	NUM
bibechana-70126	159	15	figure	figure	NOUN
bibechana-70126	159	16	7	7	NUM
bibechana-70126	159	17	:	:	PUNCT
bibechana-70126	159	18	distribution	distribution	NOUN
bibechana-70126	159	19	of	of	ADP
bibechana-70126	159	20	natural	natural	ADJ
bibechana-70126	159	21	charges	charge	NOUN
bibechana-70126	159	22	calculated	calculate	VERB
bibechana-70126	159	23	from	from	ADP
bibechana-70126	159	24	natural	natural	ADJ
bibechana-70126	159	25	population	population	NOUN
bibechana-70126	159	26	analysis	analysis	NOUN
bibechana-70126	159	27	.	.	PUNCT
bibechana-70126	160	1	3.7	3.7	NUM
bibechana-70126	160	2	nonlinear	nonlinear	ADJ
bibechana-70126	160	3	optical	optical	ADJ
bibechana-70126	160	4	(	(	PUNCT
bibechana-70126	160	5	nlo	nlo	PROPN
bibechana-70126	160	6	)	)	PUNCT
bibechana-70126	160	7	properties	property	NOUN
bibechana-70126	160	8	when	when	SCONJ
bibechana-70126	160	9	the	the	DET
bibechana-70126	160	10	electromagnetic	electromagnetic	ADJ
bibechana-70126	160	11	field	field	NOUN
bibechana-70126	160	12	interact	interact	VERB
bibechana-70126	160	13	with	with	ADP
bibechana-70126	160	14	the	the	DET
bibechana-70126	160	15	molecule	molecule	NOUN
bibechana-70126	160	16	it	it	PRON
bibechana-70126	160	17	will	will	AUX
bibechana-70126	160	18	causes	cause	VERB
bibechana-70126	160	19	formation	formation	NOUN
bibechana-70126	160	20	of	of	ADP
bibechana-70126	160	21	new	new	ADJ
bibechana-70126	160	22	field	field	NOUN
bibechana-70126	160	23	,	,	PUNCT
bibechana-70126	160	24	change	change	NOUN
bibechana-70126	160	25	in	in	ADP
bibechana-70126	160	26	phase	phase	NOUN
bibechana-70126	160	27	,	,	PUNCT
bibechana-70126	160	28	amplitude	amplitude	NOUN
bibechana-70126	160	29	,	,	PUNCT
bibechana-70126	160	30	frequency	frequency	NOUN
bibechana-70126	160	31	and	and	CCONJ
bibechana-70126	160	32	other	other	ADJ
bibechana-70126	160	33	propagation	propagation	NOUN
bibechana-70126	160	34	properties	property	NOUN
bibechana-70126	160	35	of	of	ADP
bibechana-70126	160	36	incident	incident	NOUN
bibechana-70126	160	37	field	field	NOUN
bibechana-70126	160	38	which	which	PRON
bibechana-70126	160	39	related	relate	VERB
bibechana-70126	160	40	with	with	ADP
bibechana-70126	160	41	the	the	DET
bibechana-70126	160	42	nonlinear	nonlinear	ADJ
bibechana-70126	160	43	optical	optical	ADJ
bibechana-70126	160	44	properties	property	NOUN
bibechana-70126	160	45	[	[	X
bibechana-70126	160	46	43	43	NUM
bibechana-70126	160	47	]	]	PUNCT
bibechana-70126	160	48	.	.	PUNCT
bibechana-70126	161	1	it	it	PRON
bibechana-70126	161	2	gives	give	VERB
bibechana-70126	161	3	key	key	ADJ
bibechana-70126	161	4	information	information	NOUN
bibechana-70126	161	5	in	in	ADP
bibechana-70126	161	6	frequency	frequency	NOUN
bibechana-70126	161	7	shifting	shifting	NOUN
bibechana-70126	161	8	,	,	PUNCT
bibechana-70126	161	9	optical	optical	ADJ
bibechana-70126	161	10	communication	communication	NOUN
bibechana-70126	161	11	,	,	PUNCT
bibechana-70126	161	12	switching	switching	NOUN
bibechana-70126	161	13	,	,	PUNCT
bibechana-70126	161	14	data	datum	NOUN
bibechana-70126	161	15	storage	storage	NOUN
bibechana-70126	161	16	as	as	ADV
bibechana-70126	161	17	well	well	ADV
bibechana-70126	161	18	as	as	ADP
bibechana-70126	161	19	signal	signal	ADJ
bibechana-70126	161	20	processing	processing	NOUN
bibechana-70126	161	21	[	[	X
bibechana-70126	161	22	44	44	NUM
bibechana-70126	161	23	]	]	PUNCT
bibechana-70126	161	24	.	.	PUNCT
bibechana-70126	162	1	the	the	DET
bibechana-70126	162	2	calculation	calculation	NOUN
bibechana-70126	162	3	of	of	ADP
bibechana-70126	162	4	static	static	ADJ
bibechana-70126	162	5	dipole	dipole	NOUN
bibechana-70126	162	6	moment	moment	NOUN
bibechana-70126	162	7	µ0	µ0	NOUN
bibechana-70126	162	8	,	,	PUNCT
bibechana-70126	162	9	mean	mean	VERB
bibechana-70126	162	10	polarizability	polarizability	NOUN
bibechana-70126	162	11	|α0|	|α0|	NOUN
bibechana-70126	162	12	,	,	PUNCT
bibechana-70126	162	13	anisotropy	anisotropy	NOUN
bibechana-70126	162	14	of	of	ADP
bibechana-70126	162	15	polarizability	polarizability	NOUN
bibechana-70126	162	16	(	(	PUNCT
bibechana-70126	162	17	∆α	∆α	PROPN
bibechana-70126	162	18	)	)	PUNCT
bibechana-70126	162	19	,	,	PUNCT
bibechana-70126	162	20	and	and	CCONJ
bibechana-70126	162	21	first	first	ADJ
bibechana-70126	162	22	order	order	NOUN
bibechana-70126	162	23	hyperpolarizability	hyperpolarizability	NOUN
bibechana-70126	162	24	β0	β0	NOUN
bibechana-70126	162	25	of	of	ADP
bibechana-70126	162	26	the	the	DET
bibechana-70126	162	27	most	most	ADV
bibechana-70126	162	28	stable	stable	ADJ
bibechana-70126	162	29	conformer	conformer	NOUN
bibechana-70126	162	30	of	of	ADP
bibechana-70126	162	31	title	title	NOUN
bibechana-70126	162	32	molecule	molecule	NOUN
bibechana-70126	162	33	has	have	AUX
bibechana-70126	162	34	been	be	AUX
bibechana-70126	162	35	carried	carry	VERB
bibechana-70126	162	36	by	by	ADP
bibechana-70126	162	37	using	use	VERB
bibechana-70126	162	38	dft	dft	PROPN
bibechana-70126	162	39	at	at	ADP
bibechana-70126	162	40	b3lyp/6	b3lyp/6	PROPN
bibechana-70126	162	41	-	-	NOUN
bibechana-70126	162	42	311++g(d	311++g(d	ADJ
bibechana-70126	162	43	,	,	PUNCT
bibechana-70126	162	44	p	p	NOUN
bibechana-70126	162	45	)	)	PUNCT
bibechana-70126	162	46	level	level	NOUN
bibechana-70126	162	47	of	of	ADP
bibechana-70126	162	48	theory	theory	NOUN
bibechana-70126	162	49	from	from	ADP
bibechana-70126	162	50	the	the	DET
bibechana-70126	162	51	relations	relation	NOUN
bibechana-70126	163	1	[	[	X
bibechana-70126	163	2	45	45	NUM
bibechana-70126	163	3	]	]	SYM
bibechana-70126	163	4	:	:	PUNCT
bibechana-70126	163	5	µ0	µ0	NOUN
bibechana-70126	163	6	=	=	SYM
bibechana-70126	163	7	(	(	PUNCT
bibechana-70126	163	8	µ2	µ2	NOUN
bibechana-70126	163	9	x	x	PROPN
bibechana-70126	164	1	+	+	CCONJ
bibechana-70126	164	2	µ2	µ2	PROPN
bibechana-70126	164	3	y	y	PROPN
bibechana-70126	164	4	+	+	PROPN
bibechana-70126	164	5	µ2	µ2	PROPN
bibechana-70126	164	6	z	z	PROPN
bibechana-70126	164	7	)	)	PUNCT
bibechana-70126	164	8	1	1	NUM
bibechana-70126	164	9	2	2	NUM
bibechana-70126	164	10	|α0|	|α0|	NOUN
bibechana-70126	164	11	=	=	SYM
bibechana-70126	164	12	1	1	NUM
bibechana-70126	164	13	3	3	NUM
bibechana-70126	164	14	(	(	PUNCT
bibechana-70126	164	15	αxx	αxx	NOUN
bibechana-70126	164	16	+	+	CCONJ
bibechana-70126	164	17	αyy	αyy	NOUN
bibechana-70126	164	18	+	+	CCONJ
bibechana-70126	164	19	αzz	αzz	NUM
bibechana-70126	164	20	)	)	PUNCT
bibechana-70126	164	21	∆α	∆α	PROPN
bibechana-70126	164	22	=	=	PUNCT
bibechana-70126	164	23	2−	2−	NUM
bibechana-70126	164	24	1	1	NUM
bibechana-70126	164	25	2	2	NUM
bibechana-70126	164	26	[	[	PUNCT
bibechana-70126	164	27	(	(	PUNCT
bibechana-70126	164	28	αxx	αxx	NOUN
bibechana-70126	164	29	−	−	PROPN
bibechana-70126	164	30	αyy	αyy	PROPN
bibechana-70126	164	31	)	)	PUNCT
bibechana-70126	164	32	2	2	NUM
bibechana-70126	165	1	+	+	CCONJ
bibechana-70126	165	2	(	(	PUNCT
bibechana-70126	165	3	αyy	αyy	NOUN
bibechana-70126	165	4	−	−	PROPN
bibechana-70126	165	5	αzz	αzz	NUM
bibechana-70126	165	6	)	)	PUNCT
bibechana-70126	165	7	2	2	NUM
bibechana-70126	166	1	+	+	CCONJ
bibechana-70126	166	2	(	(	PUNCT
bibechana-70126	166	3	αzz	αzz	CCONJ
bibechana-70126	166	4	−	−	PROPN
bibechana-70126	166	5	αxx	αxx	NOUN
bibechana-70126	166	6	)	)	PUNCT
bibechana-70126	166	7	2	2	NUM
bibechana-70126	167	1	+	+	CCONJ
bibechana-70126	168	1	6α2	6α2	NUM
bibechana-70126	168	2	xx	xx	NUM
bibechana-70126	168	3	]	]	PUNCT
bibechana-70126	168	4	1	1	NUM
bibechana-70126	168	5	2	2	NUM
bibechana-70126	168	6	β0	β0	NOUN
bibechana-70126	168	7	=	=	PRON
bibechana-70126	168	8	[	[	PUNCT
bibechana-70126	168	9	(	(	PUNCT
bibechana-70126	168	10	βxxx	βxxx	ADJ
bibechana-70126	168	11	+	+	CCONJ
bibechana-70126	168	12	βxyy	βxyy	ADJ
bibechana-70126	168	13	+	+	CCONJ
bibechana-70126	168	14	βxzz	βxzz	ADJ
bibechana-70126	168	15	)	)	PUNCT
bibechana-70126	168	16	2	2	NUM
bibechana-70126	169	1	+	+	CCONJ
bibechana-70126	169	2	(	(	PUNCT
bibechana-70126	169	3	βyyy	βyyy	NOUN
bibechana-70126	169	4	+	+	CCONJ
bibechana-70126	169	5	βxxy	βxxy	NOUN
bibechana-70126	169	6	+	+	CCONJ
bibechana-70126	169	7	βyzz	βyzz	NOUN
bibechana-70126	169	8	)	)	PUNCT
bibechana-70126	169	9	2	2	NUM
bibechana-70126	170	1	+	+	NOUN
bibechana-70126	170	2	(	(	PUNCT
bibechana-70126	170	3	βzzz	βzzz	X
bibechana-70126	170	4	+	+	NUM
bibechana-70126	170	5	βxxz	βxxz	NOUN
bibechana-70126	170	6	+	+	CCONJ
bibechana-70126	170	7	βyyz	βyyz	ADJ
bibechana-70126	170	8	)	)	PUNCT
bibechana-70126	170	9	2	2	NUM
bibechana-70126	170	10	]	]	SYM
bibechana-70126	170	11	1	1	NUM
bibechana-70126	170	12	2	2	NUM
bibechana-70126	170	13	the	the	DET
bibechana-70126	170	14	components	component	NOUN
bibechana-70126	170	15	of	of	ADP
bibechana-70126	170	16	static	static	ADJ
bibechana-70126	170	17	dipole	dipole	NOUN
bibechana-70126	170	18	moment	moment	NOUN
bibechana-70126	170	19	,	,	PUNCT
bibechana-70126	170	20	first	first	ADJ
bibechana-70126	170	21	order	order	NOUN
bibechana-70126	170	22	hyperpolarizability	hyperpolarizability	NOUN
bibechana-70126	170	23	,	,	PUNCT
bibechana-70126	170	24	mean	mean	ADJ
bibechana-70126	170	25	polarizability	polarizability	NOUN
bibechana-70126	170	26	and	and	CCONJ
bibechana-70126	170	27	anisotropy	anisotropy	NOUN
bibechana-70126	170	28	of	of	ADP
bibechana-70126	170	29	cirsilineol	cirsilineol	NOUN
bibechana-70126	170	30	molecule	molecule	NOUN
bibechana-70126	170	31	are	be	AUX
bibechana-70126	170	32	shown	show	VERB
bibechana-70126	170	33	in	in	ADP
bibechana-70126	170	34	table	table	NOUN
bibechana-70126	170	35	4	4	NUM
bibechana-70126	170	36	.	.	PUNCT
bibechana-70126	170	37	from	from	ADP
bibechana-70126	170	38	the	the	DET
bibechana-70126	170	39	table	table	NOUN
bibechana-70126	170	40	it	it	PRON
bibechana-70126	170	41	was	be	AUX
bibechana-70126	170	42	found	find	VERB
bibechana-70126	170	43	that	that	SCONJ
bibechana-70126	170	44	cirsilineol	cirsilineol	NOUN
bibechana-70126	170	45	have	have	VERB
bibechana-70126	170	46	static	static	ADJ
bibechana-70126	170	47	dipole	dipole	NOUN
bibechana-70126	170	48	moment	moment	NOUN
bibechana-70126	170	49	µ0	µ0	NOUN
bibechana-70126	170	50	was	be	AUX
bibechana-70126	170	51	found	find	VERB
bibechana-70126	170	52	to	to	PART
bibechana-70126	170	53	be	be	AUX
bibechana-70126	170	54	4.009	4.009	NUM
bibechana-70126	170	55	debye	debye	ADJ
bibechana-70126	170	56	,	,	PUNCT
bibechana-70126	170	57	first	first	ADJ
bibechana-70126	170	58	order	order	NOUN
bibechana-70126	170	59	hyperpolarizability	hyperpolarizability	NOUN
bibechana-70126	170	60	β0	β0	PROPN
bibechana-70126	170	61	found	find	VERB
bibechana-70126	170	62	to	to	PART
bibechana-70126	170	63	be	be	AUX
bibechana-70126	170	64	(	(	PUNCT
bibechana-70126	170	65	16.173×10	16.173×10	NOUN
bibechana-70126	170	66	-	-	SYM
bibechana-70126	170	67	30	30	NUM
bibechana-70126	170	68	esu	esu	NOUN
bibechana-70126	170	69	)	)	PUNCT
bibechana-70126	170	70	,	,	PUNCT
bibechana-70126	170	71	and	and	CCONJ
bibechana-70126	170	72	anisotropy	anisotropy	VERB
bibechana-70126	170	73	of	of	ADP
bibechana-70126	170	74	polarizability	polarizability	NOUN
bibechana-70126	170	75	was	be	AUX
bibechana-70126	170	76	found	find	VERB
bibechana-70126	170	77	to	to	PART
bibechana-70126	170	78	be	be	AUX
bibechana-70126	170	79	(	(	PUNCT
bibechana-70126	170	80	107.698×10	107.698×10	NUM
bibechana-70126	170	81	-	-	SYM
bibechana-70126	170	82	24	24	NUM
bibechana-70126	170	83	esu	esu	NOUN
bibechana-70126	170	84	)	)	PUNCT
bibechana-70126	170	85	.	.	PUNCT
bibechana-70126	171	1	these	these	DET
bibechana-70126	171	2	values	value	NOUN
bibechana-70126	171	3	are	be	AUX
bibechana-70126	171	4	larger	large	ADJ
bibechana-70126	171	5	than	than	ADP
bibechana-70126	171	6	that	that	PRON
bibechana-70126	171	7	of	of	ADP
bibechana-70126	171	8	urea	urea	NOUN
bibechana-70126	171	9	,	,	PUNCT
bibechana-70126	171	10	hence	hence	ADV
bibechana-70126	171	11	it	it	PRON
bibechana-70126	171	12	encourages	encourage	VERB
bibechana-70126	171	13	the	the	DET
bibechana-70126	171	14	title	title	NOUN
bibechana-70126	171	15	molecule	molecule	NOUN
bibechana-70126	171	16	can	can	AUX
bibechana-70126	171	17	be	be	AUX
bibechana-70126	171	18	considered	consider	VERB
bibechana-70126	171	19	as	as	ADP
bibechana-70126	171	20	an	an	DET
bibechana-70126	171	21	excellent	excellent	ADJ
bibechana-70126	171	22	nlo	nlo	PROPN
bibechana-70126	171	23	material	material	NOUN
bibechana-70126	171	24	[	[	X
bibechana-70126	171	25	46	46	NUM
bibechana-70126	171	26	]	]	PUNCT
bibechana-70126	171	27	.	.	PUNCT
bibechana-70126	172	1	3.8	3.8	NUM
bibechana-70126	172	2	admet	admet	NOUN
bibechana-70126	172	3	properties	property	NOUN
bibechana-70126	172	4	analysis	analysis	NOUN
bibechana-70126	172	5	most	most	ADJ
bibechana-70126	172	6	pharmaceuticals	pharmaceutical	NOUN
bibechana-70126	172	7	in	in	ADP
bibechana-70126	172	8	clinical	clinical	ADJ
bibechana-70126	172	9	trials	trial	NOUN
bibechana-70126	172	10	fail	fail	VERB
bibechana-70126	172	11	to	to	PART
bibechana-70126	172	12	reach	reach	VERB
bibechana-70126	172	13	the	the	DET
bibechana-70126	172	14	market	market	NOUN
bibechana-70126	172	15	due	due	ADP
bibechana-70126	172	16	to	to	ADP
bibechana-70126	172	17	their	their	PRON
bibechana-70126	172	18	limited	limited	ADJ
bibechana-70126	172	19	potential	potential	ADJ
bibechana-70126	172	20	and	and	CCONJ
bibechana-70126	172	21	side	side	NOUN
bibechana-70126	172	22	effects	effect	NOUN
bibechana-70126	172	23	,	,	PUNCT
bibechana-70126	172	24	making	make	VERB
bibechana-70126	172	25	the	the	DET
bibechana-70126	172	26	development	development	NOUN
bibechana-70126	172	27	of	of	ADP
bibechana-70126	172	28	new	new	ADJ
bibechana-70126	172	29	medications	medication	NOUN
bibechana-70126	172	30	difficult	difficult	ADJ
bibechana-70126	172	31	.	.	PUNCT
bibechana-70126	173	1	admet	admet	PROPN
bibechana-70126	173	2	analysis	analysis	NOUN
bibechana-70126	173	3	evaluates	evaluate	VERB
bibechana-70126	173	4	the	the	DET
bibechana-70126	173	5	absorption	absorption	NOUN
bibechana-70126	173	6	,	,	PUNCT
bibechana-70126	173	7	distribution	distribution	NOUN
bibechana-70126	173	8	,	,	PUNCT
bibechana-70126	173	9	metabolism	metabolism	NOUN
bibechana-70126	173	10	,	,	PUNCT
bibechana-70126	173	11	excretion	excretion	NOUN
bibechana-70126	173	12	,	,	PUNCT
bibechana-70126	173	13	and	and	CCONJ
bibechana-70126	173	14	toxicity	toxicity	NOUN
bibechana-70126	173	15	of	of	ADP
bibechana-70126	173	16	drug	drug	NOUN
bibechana-70126	173	17	molecules	molecule	NOUN
bibechana-70126	173	18	[	[	X
bibechana-70126	173	19	47	47	NUM
bibechana-70126	173	20	]	]	PUNCT
bibechana-70126	173	21	.	.	PUNCT
bibechana-70126	174	1	the	the	DET
bibechana-70126	174	2	swissadme	swissadme	PROPN
bibechana-70126	174	3	tool	tool	PROPN
bibechana-70126	174	4	determined	determine	VERB
bibechana-70126	174	5	that	that	SCONJ
bibechana-70126	174	6	cirsilineol	cirsilineol	NOUN
bibechana-70126	174	7	has	have	VERB
bibechana-70126	174	8	a	a	DET
bibechana-70126	174	9	molecular	molecular	ADJ
bibechana-70126	174	10	weight	weight	NOUN
bibechana-70126	174	11	of	of	ADP
bibechana-70126	174	12	344.32	344.32	NUM
bibechana-70126	174	13	,	,	PUNCT
bibechana-70126	174	14	with	with	ADP
bibechana-70126	174	15	four	four	NUM
bibechana-70126	174	16	rotatable	rotatable	ADJ
bibechana-70126	174	17	bonds	bond	NOUN
bibechana-70126	174	18	,	,	PUNCT
bibechana-70126	174	19	seven	seven	NUM
bibechana-70126	174	20	h	h	NOUN
bibechana-70126	174	21	-	-	PUNCT
bibechana-70126	174	22	bond	bond	NOUN
bibechana-70126	174	23	acceptors	acceptor	NOUN
bibechana-70126	174	24	and	and	CCONJ
bibechana-70126	174	25	2	2	NUM
bibechana-70126	174	26	donors	donor	NOUN
bibechana-70126	174	27	,	,	PUNCT
bibechana-70126	174	28	142.160	142.160	NUM
bibechana-70126	174	29	å2	å2	NOUN
bibechana-70126	174	30	topological	topological	ADJ
bibechana-70126	174	31	polar	polar	ADJ
bibechana-70126	174	32	surface	surface	NOUN
bibechana-70126	174	33	areas	area	NOUN
bibechana-70126	174	34	(	(	PUNCT
bibechana-70126	174	35	tpsa	tpsa	NOUN
bibechana-70126	174	36	)	)	PUNCT
bibechana-70126	174	37	,	,	PUNCT
bibechana-70126	174	38	and	and	CCONJ
bibechana-70126	174	39	91.44	91.44	NUM
bibechana-70126	174	40	molar	molar	ADJ
bibechana-70126	174	41	refractivity	refractivity	NOUN
bibechana-70126	174	42	.	.	PUNCT
bibechana-70126	175	1	the	the	DET
bibechana-70126	175	2	bioavailability	bioavailability	NOUN
bibechana-70126	175	3	score	score	NOUN
bibechana-70126	175	4	and	and	CCONJ
bibechana-70126	175	5	lipophilicity	lipophilicity	NOUN
bibechana-70126	175	6	were	be	AUX
bibechana-70126	175	7	found	find	VERB
bibechana-70126	175	8	to	to	PART
bibechana-70126	175	9	be	be	AUX
bibechana-70126	175	10	0.55	0.55	NUM
bibechana-70126	175	11	and	and	CCONJ
bibechana-70126	175	12	2.53	2.53	NUM
bibechana-70126	175	13	respectively	respectively	ADV
bibechana-70126	175	14	.	.	PUNCT
bibechana-70126	176	1	all	all	PRON
bibechana-70126	176	2	of	of	ADP
bibechana-70126	176	3	these	these	DET
bibechana-70126	176	4	physicochemical	physicochemical	ADJ
bibechana-70126	176	5	parameters	parameter	NOUN
bibechana-70126	176	6	fall	fall	VERB
bibechana-70126	176	7	within	within	ADP
bibechana-70126	176	8	the	the	DET
bibechana-70126	176	9	range	range	NOUN
bibechana-70126	176	10	of	of	ADP
bibechana-70126	176	11	lipinsky	lipinsky	ADJ
bibechana-70126	176	12	rules	rule	NOUN
bibechana-70126	176	13	for	for	ADP
bibechana-70126	176	14	drug	drug	NOUN
bibechana-70126	176	15	likeness	likeness	NOUN
bibechana-70126	176	16	;	;	PUNCT
bibechana-70126	176	17	hence	hence	ADV
bibechana-70126	176	18	cirsilineol	cirsilineol	NOUN
bibechana-70126	176	19	can	can	AUX
bibechana-70126	176	20	be	be	AUX
bibechana-70126	176	21	used	use	VERB
bibechana-70126	176	22	as	as	ADP
bibechana-70126	176	23	an	an	DET
bibechana-70126	176	24	antimicrobial	antimicrobial	ADJ
bibechana-70126	176	25	drug	drug	NOUN
bibechana-70126	176	26	[	[	X
bibechana-70126	176	27	48	48	NUM
bibechana-70126	176	28	]	]	PUNCT
bibechana-70126	176	29	.	.	PUNCT
bibechana-70126	177	1	the	the	DET
bibechana-70126	177	2	solubility	solubility	NOUN
bibechana-70126	177	3	,	,	PUNCT
bibechana-70126	177	4	tpsa	tpsa	NOUN
bibechana-70126	177	5	,	,	PUNCT
bibechana-70126	177	6	flexibility	flexibility	NOUN
bibechana-70126	177	7	,	,	PUNCT
bibechana-70126	177	8	molecular	molecular	ADJ
bibechana-70126	177	9	weight	weight	NOUN
bibechana-70126	177	10	and	and	CCONJ
bibechana-70126	177	11	lipophilicity	lipophilicity	NOUN
bibechana-70126	177	12	except	except	SCONJ
bibechana-70126	177	13	saturation	saturation	NOUN
bibechana-70126	177	14	of	of	ADP
bibechana-70126	177	15	the	the	DET
bibechana-70126	177	16	title	title	NOUN
bibechana-70126	177	17	compound	compound	NOUN
bibechana-70126	177	18	lie	lie	NOUN
bibechana-70126	177	19	within	within	ADP
bibechana-70126	177	20	the	the	DET
bibechana-70126	177	21	pink	pink	ADJ
bibechana-70126	177	22	region	region	NOUN
bibechana-70126	177	23	of	of	ADP
bibechana-70126	177	24	the	the	DET
bibechana-70126	177	25	radar	radar	NOUN
bibechana-70126	177	26	plot	plot	NOUN
bibechana-70126	177	27	given	give	VERB
bibechana-70126	177	28	in	in	ADP
bibechana-70126	177	29	fig	fig	NOUN
bibechana-70126	177	30	.	.	PUNCT
bibechana-70126	177	31	8	8	NUM
bibechana-70126	177	32	(	(	PUNCT
bibechana-70126	177	33	a	a	NOUN
bibechana-70126	177	34	)	)	PUNCT
bibechana-70126	177	35	indicating	indicate	VERB
bibechana-70126	177	36	that	that	SCONJ
bibechana-70126	177	37	cirsilineol	cirsilineol	NOUN
bibechana-70126	177	38	is	be	AUX
bibechana-70126	177	39	excellent	excellent	ADJ
bibechana-70126	177	40	in	in	ADP
bibechana-70126	177	41	terms	term	NOUN
bibechana-70126	177	42	of	of	ADP
bibechana-70126	177	43	bioavailability	bioavailability	NOUN
bibechana-70126	177	44	.	.	PUNCT
bibechana-70126	178	1	the	the	DET
bibechana-70126	178	2	diagram	diagram	NOUN
bibechana-70126	178	3	of	of	ADP
bibechana-70126	178	4	the	the	DET
bibechana-70126	178	5	boiled	boil	VERB
bibechana-70126	178	6	egg	egg	NOUN
bibechana-70126	178	7	model	model	NOUN
bibechana-70126	178	8	in	in	ADP
bibechana-70126	178	9	fig	fig	NOUN
bibechana-70126	178	10	.	.	PUNCT
bibechana-70126	179	1	8	8	NUM
bibechana-70126	179	2	(	(	PUNCT
bibechana-70126	179	3	b	b	NOUN
bibechana-70126	179	4	)	)	PUNCT
bibechana-70126	179	5	indicates	indicate	VERB
bibechana-70126	179	6	that	that	SCONJ
bibechana-70126	179	7	the	the	DET
bibechana-70126	179	8	red	red	ADJ
bibechana-70126	179	9	dots	dot	NOUN
bibechana-70126	179	10	are	be	AUX
bibechana-70126	179	11	located	locate	VERB
bibechana-70126	179	12	within	within	ADP
bibechana-70126	179	13	the	the	DET
bibechana-70126	179	14	white	white	PROPN
bibechana-70126	179	15	region	region	NOUN
bibechana-70126	179	16	,	,	PUNCT
bibechana-70126	179	17	suggesting	suggest	VERB
bibechana-70126	179	18	that	that	SCONJ
bibechana-70126	179	19	cirsilineol	cirsilineol	NOUN
bibechana-70126	179	20	is	be	AUX
bibechana-70126	179	21	effectively	effectively	ADV
bibechana-70126	179	22	absorbed	absorb	VERB
bibechana-70126	179	23	in	in	ADP
bibechana-70126	179	24	the	the	DET
bibechana-70126	179	25	gastrointestinal	gastrointestinal	ADJ
bibechana-70126	179	26	tract	tract	NOUN
bibechana-70126	179	27	and	and	CCONJ
bibechana-70126	179	28	enhances	enhance	VERB
bibechana-70126	179	29	bioavailability	bioavailability	NOUN
bibechana-70126	179	30	[	[	X
bibechana-70126	179	31	49	49	NUM
bibechana-70126	179	32	]	]	PUNCT
bibechana-70126	179	33	.	.	PUNCT
bibechana-70126	180	1	the	the	DET
bibechana-70126	180	2	pharmacokinetic	pharmacokinetic	ADJ
bibechana-70126	180	3	properties	property	NOUN
bibechana-70126	180	4	determined	determine	VERB
bibechana-70126	180	5	by	by	ADP
bibechana-70126	180	6	the	the	DET
bibechana-70126	180	7	online	online	ADJ
bibechana-70126	180	8	tool	tool	NOUN
bibechana-70126	180	9	pkcsm	pkcsm	NOUN
bibechana-70126	180	10	as	as	ADV
bibechana-70126	180	11	well	well	ADV
bibechana-70126	180	12	as	as	ADP
bibechana-70126	180	13	the	the	DET
bibechana-70126	180	14	admet	admet	NOUN
bibechana-70126	180	15	properties	property	NOUN
bibechana-70126	180	16	for	for	ADP
bibechana-70126	180	17	the	the	DET
bibechana-70126	180	18	title	title	NOUN
bibechana-70126	180	19	compound	compound	NOUN
bibechana-70126	180	20	in	in	ADP
bibechana-70126	180	21	terms	term	NOUN
bibechana-70126	180	22	of	of	ADP
bibechana-70126	180	23	suitability	suitability	NOUN
bibechana-70126	180	24	for	for	ADP
bibechana-70126	180	25	human	human	ADJ
bibechana-70126	180	26	administration	administration	NOUN
bibechana-70126	180	27	are	be	AUX
bibechana-70126	180	28	presented	present	VERB
bibechana-70126	180	29	in	in	ADP
bibechana-70126	180	30	table	table	NOUN
bibechana-70126	180	31	5	5	NUM
bibechana-70126	180	32	.	.	PUNCT
bibechana-70126	181	1	cirsilineol	cirsilineol	NOUN
bibechana-70126	181	2	has	have	VERB
bibechana-70126	181	3	100	100	NUM
bibechana-70126	181	4	%	%	NOUN
bibechana-70126	181	5	intestinal	intestinal	ADJ
bibechana-70126	181	6	absorption	absorption	NOUN
bibechana-70126	181	7	and	and	CCONJ
bibechana-70126	181	8	a	a	DET
bibechana-70126	181	9	solubility	solubility	NOUN
bibechana-70126	181	10	of	of	ADP
bibechana-70126	181	11	-3.326	-3.326	PROPN
bibechana-70126	181	12	mol	mol	PROPN
bibechana-70126	181	13	/	/	SYM
bibechana-70126	181	14	l	l	NOUN
bibechana-70126	181	15	,	,	PUNCT
bibechana-70126	181	16	which	which	PRON
bibechana-70126	181	17	is	be	AUX
bibechana-70126	181	18	higher	high	ADJ
bibechana-70126	181	19	than	than	ADP
bibechana-70126	181	20	tirth	tirth	PROPN
bibechana-70126	181	21	raj	raj	PROPN
bibechana-70126	181	22	paneru	paneru	PROPN
bibechana-70126	181	23	et	et	PROPN
bibechana-70126	181	24	al./	al./	ADV
bibechana-70126	181	25	bibechana	bibechana	PROPN
bibechana-70126	181	26	22	22	NUM
bibechana-70126	181	27	(	(	PUNCT
bibechana-70126	181	28	2025	2025	NUM
bibechana-70126	181	29	)	)	PUNCT
bibechana-70126	181	30	1	1	NUM
bibechana-70126	181	31	-	-	SYM
bibechana-70126	181	32	14	14	NUM
bibechana-70126	181	33	10	10	NUM
bibechana-70126	181	34	-4	-4	PUNCT
bibechana-70126	181	35	mol	mol	PROPN
bibechana-70126	181	36	/	/	SYM
bibechana-70126	181	37	l.	l.	PROPN
bibechana-70126	181	38	additionally	additionally	ADV
bibechana-70126	181	39	,	,	PUNCT
bibechana-70126	181	40	it	it	PRON
bibechana-70126	181	41	has	have	VERB
bibechana-70126	181	42	a	a	DET
bibechana-70126	181	43	skin	skin	NOUN
bibechana-70126	181	44	permeability	permeability	NOUN
bibechana-70126	181	45	of	of	ADP
bibechana-70126	181	46	-2.75	-2.75	PROPN
bibechana-70126	181	47	cm	cm	PROPN
bibechana-70126	181	48	/	/	SYM
bibechana-70126	181	49	h	h	NOUN
bibechana-70126	181	50	,	,	PUNCT
bibechana-70126	181	51	indicating	indicate	VERB
bibechana-70126	181	52	desirable	desirable	ADJ
bibechana-70126	181	53	pharmacologic	pharmacologic	ADJ
bibechana-70126	181	54	properties	property	NOUN
bibechana-70126	181	55	for	for	ADP
bibechana-70126	181	56	absorption	absorption	NOUN
bibechana-70126	181	57	and	and	CCONJ
bibechana-70126	181	58	distribution	distribution	NOUN
bibechana-70126	181	59	[	[	X
bibechana-70126	181	60	50	50	NUM
bibechana-70126	181	61	]	]	PUNCT
bibechana-70126	181	62	.	.	PUNCT
bibechana-70126	182	1	if	if	SCONJ
bibechana-70126	182	2	the	the	DET
bibechana-70126	182	3	volume	volume	NOUN
bibechana-70126	182	4	of	of	ADP
bibechana-70126	182	5	distribution	distribution	NOUN
bibechana-70126	182	6	(	(	PUNCT
bibechana-70126	182	7	vds	vds	NOUN
bibechana-70126	182	8	)	)	PUNCT
bibechana-70126	182	9	is	be	AUX
bibechana-70126	182	10	high	high	ADJ
bibechana-70126	182	11	,	,	PUNCT
bibechana-70126	182	12	the	the	DET
bibechana-70126	182	13	drug	drug	NOUN
bibechana-70126	182	14	will	will	AUX
bibechana-70126	182	15	be	be	AUX
bibechana-70126	182	16	distributed	distribute	VERB
bibechana-70126	182	17	in	in	ADP
bibechana-70126	182	18	plasma	plasma	NOUN
bibechana-70126	182	19	rather	rather	ADV
bibechana-70126	182	20	than	than	ADP
bibechana-70126	182	21	tissue	tissue	NOUN
bibechana-70126	182	22	,	,	PUNCT
bibechana-70126	182	23	which	which	PRON
bibechana-70126	182	24	is	be	AUX
bibechana-70126	182	25	in	in	ADP
bibechana-70126	182	26	the	the	DET
bibechana-70126	182	27	desirable	desirable	ADJ
bibechana-70126	182	28	range	range	NOUN
bibechana-70126	182	29	for	for	ADP
bibechana-70126	182	30	the	the	DET
bibechana-70126	182	31	title	title	NOUN
bibechana-70126	182	32	compound	compound	NOUN
bibechana-70126	182	33	.	.	PUNCT
bibechana-70126	183	1	bbb	bbb	PROPN
bibechana-70126	183	2	and	and	CCONJ
bibechana-70126	183	3	cns	cns	PROPN
bibechana-70126	183	4	permeability	permeability	NOUN
bibechana-70126	183	5	were	be	AUX
bibechana-70126	183	6	determined	determine	VERB
bibechana-70126	183	7	to	to	PART
bibechana-70126	183	8	be	be	AUX
bibechana-70126	183	9	0.738	0.738	NUM
bibechana-70126	183	10	(	(	PUNCT
bibechana-70126	183	11	log	log	NOUN
bibechana-70126	183	12	bb	bb	NUM
bibechana-70126	183	13	)	)	PUNCT
bibechana-70126	183	14	and	and	CCONJ
bibechana-70126	183	15	-3.116	-3.116	ADP
bibechana-70126	183	16	(	(	PUNCT
bibechana-70126	183	17	log	log	NOUN
bibechana-70126	183	18	ps	ps	NOUN
bibechana-70126	183	19	)	)	PUNCT
bibechana-70126	183	20	,	,	PUNCT
bibechana-70126	183	21	respectively	respectively	ADV
bibechana-70126	183	22	,	,	PUNCT
bibechana-70126	183	23	indicating	indicate	VERB
bibechana-70126	183	24	that	that	SCONJ
bibechana-70126	183	25	they	they	PRON
bibechana-70126	183	26	were	be	AUX
bibechana-70126	183	27	unable	unable	ADJ
bibechana-70126	183	28	to	to	PART
bibechana-70126	183	29	cross	cross	VERB
bibechana-70126	183	30	the	the	DET
bibechana-70126	183	31	blood	blood	NOUN
bibechana-70126	183	32	-	-	PUNCT
bibechana-70126	183	33	brain	brain	NOUN
bibechana-70126	183	34	barrier	barrier	NOUN
bibechana-70126	183	35	and	and	CCONJ
bibechana-70126	183	36	central	central	ADJ
bibechana-70126	183	37	nervous	nervous	ADJ
bibechana-70126	183	38	system	system	NOUN
bibechana-70126	183	39	.	.	PUNCT
bibechana-70126	184	1	additionally	additionally	ADV
bibechana-70126	184	2	,	,	PUNCT
bibechana-70126	184	3	it	it	PRON
bibechana-70126	184	4	has	have	VERB
bibechana-70126	184	5	a	a	DET
bibechana-70126	184	6	good	good	ADJ
bibechana-70126	184	7	metabolism	metabolism	NOUN
bibechana-70126	184	8	and	and	CCONJ
bibechana-70126	184	9	excretion	excretion	NOUN
bibechana-70126	184	10	,	,	PUNCT
bibechana-70126	184	11	with	with	ADP
bibechana-70126	184	12	a	a	DET
bibechana-70126	184	13	clearance	clearance	NOUN
bibechana-70126	184	14	of	of	ADP
bibechana-70126	184	15	0.638	0.638	NUM
bibechana-70126	184	16	(	(	PUNCT
bibechana-70126	184	17	ml	ml	NOUN
bibechana-70126	184	18	/	/	SYM
bibechana-70126	184	19	min	min	NOUN
bibechana-70126	184	20	/	/	SYM
bibechana-70126	184	21	kg	kg	PROPN
bibechana-70126	184	22	)	)	PUNCT
bibechana-70126	184	23	.	.	PUNCT
bibechana-70126	185	1	it	it	PRON
bibechana-70126	185	2	is	be	AUX
bibechana-70126	185	3	not	not	PART
bibechana-70126	185	4	positive	positive	ADJ
bibechana-70126	185	5	to	to	ADP
bibechana-70126	185	6	toxicity	toxicity	NOUN
bibechana-70126	185	7	of	of	ADP
bibechana-70126	185	8	ames	ame	NOUN
bibechana-70126	185	9	,	,	PUNCT
bibechana-70126	185	10	indicating	indicate	VERB
bibechana-70126	185	11	that	that	SCONJ
bibechana-70126	185	12	it	it	PRON
bibechana-70126	185	13	is	be	AUX
bibechana-70126	185	14	mot	mot	NOUN
bibechana-70126	185	15	mutagenic	mutagenic	NOUN
bibechana-70126	185	16	.	.	PUNCT
bibechana-70126	186	1	the	the	DET
bibechana-70126	186	2	anticipated	anticipate	VERB
bibechana-70126	186	3	maximum	maximum	NOUN
bibechana-70126	186	4	dose	dose	NOUN
bibechana-70126	186	5	for	for	SCONJ
bibechana-70126	186	6	humans	human	NOUN
bibechana-70126	186	7	to	to	PART
bibechana-70126	186	8	be	be	AUX
bibechana-70126	186	9	tolerated	tolerate	VERB
bibechana-70126	186	10	was	be	AUX
bibechana-70126	186	11	0.275	0.275	NUM
bibechana-70126	186	12	(	(	PUNCT
bibechana-70126	186	13	mg	mg	PROPN
bibechana-70126	186	14	/	/	SYM
bibechana-70126	186	15	kg	kg	PROPN
bibechana-70126	186	16	/	/	SYM
bibechana-70126	186	17	day	day	NOUN
bibechana-70126	186	18	)	)	PUNCT
bibechana-70126	186	19	,	,	PUNCT
bibechana-70126	186	20	which	which	PRON
bibechana-70126	186	21	suggests	suggest	VERB
bibechana-70126	186	22	a	a	DET
bibechana-70126	186	23	moderate	moderate	ADJ
bibechana-70126	186	24	level	level	NOUN
bibechana-70126	186	25	of	of	ADP
bibechana-70126	186	26	tolerance	tolerance	NOUN
bibechana-70126	186	27	.	.	PUNCT
bibechana-70126	187	1	finally	finally	ADV
bibechana-70126	187	2	,	,	PUNCT
bibechana-70126	187	3	the	the	DET
bibechana-70126	187	4	fact	fact	NOUN
bibechana-70126	187	5	that	that	SCONJ
bibechana-70126	187	6	it	it	PRON
bibechana-70126	187	7	responds	respond	VERB
bibechana-70126	187	8	negatively	negatively	ADV
bibechana-70126	187	9	to	to	PART
bibechana-70126	187	10	enzyme	enzyme	VERB
bibechana-70126	187	11	inhibitory	inhibitory	ADJ
bibechana-70126	187	12	capacity	capacity	NOUN
bibechana-70126	187	13	,	,	PUNCT
bibechana-70126	187	14	hepatotoxicity	hepatotoxicity	NOUN
bibechana-70126	187	15	,	,	PUNCT
bibechana-70126	187	16	and	and	CCONJ
bibechana-70126	187	17	skin	skin	NOUN
bibechana-70126	187	18	sensitivity	sensitivity	NOUN
bibechana-70126	187	19	suggests	suggest	VERB
bibechana-70126	187	20	that	that	SCONJ
bibechana-70126	187	21	it	it	PRON
bibechana-70126	187	22	is	be	AUX
bibechana-70126	187	23	not	not	PART
bibechana-70126	187	24	harmful	harmful	ADJ
bibechana-70126	187	25	.	.	PUNCT
bibechana-70126	188	1	hence	hence	ADV
bibechana-70126	188	2	,	,	PUNCT
bibechana-70126	188	3	each	each	PRON
bibechana-70126	188	4	of	of	ADP
bibechana-70126	188	5	these	these	DET
bibechana-70126	188	6	qualities	quality	NOUN
bibechana-70126	188	7	supported	support	VERB
bibechana-70126	188	8	the	the	DET
bibechana-70126	188	9	medicinal	medicinal	ADJ
bibechana-70126	188	10	nature	nature	NOUN
bibechana-70126	188	11	of	of	ADP
bibechana-70126	188	12	cirsilineol	cirsilineol	NOUN
bibechana-70126	188	13	.	.	PUNCT
bibechana-70126	189	1	3.9	3.9	NUM
bibechana-70126	189	2	molecular	molecular	ADJ
bibechana-70126	189	3	docking	dock	VERB
bibechana-70126	189	4	molecular	molecular	ADJ
bibechana-70126	189	5	docking	docking	NOUN
bibechana-70126	189	6	is	be	AUX
bibechana-70126	189	7	a	a	DET
bibechana-70126	189	8	computational	computational	ADJ
bibechana-70126	189	9	technique	technique	NOUN
bibechana-70126	189	10	used	use	VERB
bibechana-70126	189	11	to	to	PART
bibechana-70126	189	12	understand	understand	VERB
bibechana-70126	189	13	how	how	SCONJ
bibechana-70126	189	14	drug	drug	NOUN
bibechana-70126	189	15	molecules	molecule	NOUN
bibechana-70126	189	16	bind	bind	VERB
bibechana-70126	189	17	with	with	ADP
bibechana-70126	189	18	the	the	DET
bibechana-70126	189	19	target	target	NOUN
bibechana-70126	189	20	receptor	receptor	NOUN
bibechana-70126	189	21	with	with	ADP
bibechana-70126	189	22	the	the	DET
bibechana-70126	189	23	preferred	preferred	ADJ
bibechana-70126	189	24	orientation	orientation	NOUN
bibechana-70126	189	25	and	and	CCONJ
bibechana-70126	189	26	find	find	VERB
bibechana-70126	189	27	the	the	DET
bibechana-70126	189	28	binding	bind	VERB
bibechana-70126	189	29	affinity	affinity	NOUN
bibechana-70126	189	30	between	between	ADP
bibechana-70126	189	31	them	they	PRON
bibechana-70126	189	32	[	[	X
bibechana-70126	189	33	51	51	NUM
bibechana-70126	189	34	]	]	PUNCT
bibechana-70126	189	35	.	.	PUNCT
bibechana-70126	190	1	it	it	PRON
bibechana-70126	190	2	has	have	AUX
bibechana-70126	190	3	been	be	AUX
bibechana-70126	190	4	reported	report	VERB
bibechana-70126	190	5	that	that	SCONJ
bibechana-70126	190	6	cirsilineol	cirsilineol	NOUN
bibechana-70126	190	7	shows	show	VERB
bibechana-70126	190	8	anticancer	anticancer	NOUN
bibechana-70126	190	9	effects	effect	NOUN
bibechana-70126	190	10	against	against	ADP
bibechana-70126	190	11	human	human	ADJ
bibechana-70126	190	12	cancer	cancer	NOUN
bibechana-70126	190	13	cells	cell	NOUN
bibechana-70126	190	14	,	,	PUNCT
bibechana-70126	190	15	including	include	VERB
bibechana-70126	190	16	prostate	prostate	NOUN
bibechana-70126	190	17	cancer	cancer	NOUN
bibechana-70126	190	18	.	.	PUNCT
bibechana-70126	191	1	literature	literature	NOUN
bibechana-70126	191	2	has	have	AUX
bibechana-70126	191	3	reported	report	VERB
bibechana-70126	191	4	that	that	SCONJ
bibechana-70126	191	5	androgen	androgen	NOUN
bibechana-70126	191	6	receptors	receptor	NOUN
bibechana-70126	191	7	have	have	AUX
bibechana-70126	191	8	been	be	AUX
bibechana-70126	191	9	associated	associate	VERB
bibechana-70126	191	10	with	with	ADP
bibechana-70126	191	11	the	the	DET
bibechana-70126	191	12	progression	progression	NOUN
bibechana-70126	191	13	of	of	ADP
bibechana-70126	191	14	prostate	prostate	NOUN
bibechana-70126	191	15	cancer	cancer	NOUN
bibechana-70126	191	16	and	and	CCONJ
bibechana-70126	191	17	are	be	AUX
bibechana-70126	191	18	known	know	VERB
bibechana-70126	191	19	to	to	PART
bibechana-70126	191	20	play	play	VERB
bibechana-70126	191	21	a	a	DET
bibechana-70126	191	22	crucial	crucial	ADJ
bibechana-70126	191	23	role	role	NOUN
bibechana-70126	191	24	in	in	ADP
bibechana-70126	191	25	male	male	ADJ
bibechana-70126	191	26	reproduction	reproduction	NOUN
bibechana-70126	192	1	[	[	X
bibechana-70126	192	2	52	52	NUM
bibechana-70126	192	3	,	,	PUNCT
bibechana-70126	192	4	53	53	NUM
bibechana-70126	192	5	]	]	PUNCT
bibechana-70126	192	6	.	.	PUNCT
bibechana-70126	193	1	cirsilineol	cirsilineol	PROPN
bibechana-70126	193	2	inhibits	inhibit	VERB
bibechana-70126	193	3	the	the	DET
bibechana-70126	193	4	development	development	NOUN
bibechana-70126	193	5	of	of	ADP
bibechana-70126	193	6	prostate	prostate	NOUN
bibechana-70126	193	7	cancer	cancer	NOUN
bibechana-70126	193	8	cells	cell	NOUN
bibechana-70126	193	9	through	through	ADP
bibechana-70126	193	10	the	the	DET
bibechana-70126	193	11	stimulation	stimulation	NOUN
bibechana-70126	193	12	of	of	ADP
bibechana-70126	193	13	ros	ros	PROPN
bibechana-70126	193	14	-	-	PUNCT
bibechana-70126	193	15	mediated	mediate	VERB
bibechana-70126	193	16	apoptosis	apoptosis	NOUN
bibechana-70126	193	17	[	[	X
bibechana-70126	193	18	7	7	NUM
bibechana-70126	193	19	]	]	PUNCT
bibechana-70126	193	20	.	.	PUNCT
bibechana-70126	194	1	in	in	ADP
bibechana-70126	194	2	this	this	DET
bibechana-70126	194	3	study	study	NOUN
bibechana-70126	194	4	,	,	PUNCT
bibechana-70126	194	5	we	we	PRON
bibechana-70126	194	6	performed	perform	VERB
bibechana-70126	194	7	molecular	molecular	ADJ
bibechana-70126	194	8	docking	docking	NOUN
bibechana-70126	194	9	with	with	ADP
bibechana-70126	194	10	androgen	androgen	NOUN
bibechana-70126	194	11	receptor	receptor	NOUN
bibechana-70126	194	12	protein	protein	NOUN
bibechana-70126	194	13	codes	code	NOUN
bibechana-70126	194	14	1gs4	1gs4	NUM
bibechana-70126	194	15	and	and	CCONJ
bibechana-70126	194	16	1e3	1e3	NUM
bibechana-70126	194	17	g	g	NOUN
bibechana-70126	194	18	,	,	PUNCT
bibechana-70126	194	19	which	which	PRON
bibechana-70126	194	20	were	be	AUX
bibechana-70126	194	21	downloaded	download	VERB
bibechana-70126	194	22	from	from	ADP
bibechana-70126	194	23	the	the	DET
bibechana-70126	194	24	protein	protein	NOUN
bibechana-70126	194	25	data	datum	NOUN
bibechana-70126	194	26	bank	bank	NOUN
bibechana-70126	194	27	[	[	X
bibechana-70126	194	28	54	54	NUM
bibechana-70126	194	29	]	]	PUNCT
bibechana-70126	194	30	.	.	PUNCT
bibechana-70126	195	1	the	the	DET
bibechana-70126	195	2	water	water	NOUN
bibechana-70126	195	3	was	be	AUX
bibechana-70126	195	4	taken	take	VERB
bibechana-70126	195	5	out	out	ADP
bibechana-70126	195	6	of	of	ADP
bibechana-70126	195	7	the	the	DET
bibechana-70126	195	8	protein	protein	NOUN
bibechana-70126	195	9	and	and	CCONJ
bibechana-70126	195	10	kollmann	kollmann	PROPN
bibechana-70126	195	11	's	's	PART
bibechana-70126	195	12	charge	charge	NOUN
bibechana-70126	195	13	was	be	AUX
bibechana-70126	195	14	added	add	VERB
bibechana-70126	195	15	in	in	ADP
bibechana-70126	195	16	order	order	NOUN
bibechana-70126	195	17	to	to	PART
bibechana-70126	195	18	identify	identify	VERB
bibechana-70126	195	19	the	the	DET
bibechana-70126	195	20	active	active	ADJ
bibechana-70126	195	21	sites	site	NOUN
bibechana-70126	195	22	of	of	ADP
bibechana-70126	195	23	the	the	DET
bibechana-70126	195	24	protein	protein	NOUN
bibechana-70126	195	25	for	for	ADP
bibechana-70126	195	26	a	a	DET
bibechana-70126	195	27	grid	grid	NOUN
bibechana-70126	195	28	box	box	NOUN
bibechana-70126	195	29	of	of	ADP
bibechana-70126	195	30	60åx60åx60å	60åx60åx60å	NUM
bibechana-70126	195	31	with	with	ADP
bibechana-70126	195	32	a	a	DET
bibechana-70126	195	33	spacing	spacing	NOUN
bibechana-70126	195	34	of	of	ADP
bibechana-70126	195	35	0.375	0.375	NUM
bibechana-70126	195	36	å	å	NOUN
bibechana-70126	195	37	.	.	PUNCT
bibechana-70126	195	38	figure	figure	NOUN
bibechana-70126	195	39	9	9	NUM
bibechana-70126	195	40	displays	display	VERB
bibechana-70126	195	41	the	the	DET
bibechana-70126	195	42	binding	bind	VERB
bibechana-70126	195	43	modes	mode	NOUN
bibechana-70126	195	44	illustrating	illustrate	VERB
bibechana-70126	195	45	the	the	DET
bibechana-70126	195	46	various	various	ADJ
bibechana-70126	195	47	interactions	interaction	NOUN
bibechana-70126	195	48	between	between	ADP
bibechana-70126	195	49	cirsilineol	cirsilineol	NOUN
bibechana-70126	195	50	and	and	CCONJ
bibechana-70126	195	51	the	the	DET
bibechana-70126	195	52	protein	protein	NOUN
bibechana-70126	195	53	codes	code	VERB
bibechana-70126	195	54	1e3	1e3	NUM
bibechana-70126	195	55	g	g	NOUN
bibechana-70126	195	56	and	and	CCONJ
bibechana-70126	195	57	1gs4	1gs4	NUM
bibechana-70126	195	58	.	.	PUNCT
bibechana-70126	196	1	for	for	ADP
bibechana-70126	196	2	the	the	DET
bibechana-70126	196	3	protein	protein	NOUN
bibechana-70126	196	4	codes	code	VERB
bibechana-70126	196	5	1e3	1e3	NUM
bibechana-70126	196	6	g	g	NOUN
bibechana-70126	196	7	and	and	CCONJ
bibechana-70126	196	8	1gs4	1gs4	NUM
bibechana-70126	196	9	,	,	PUNCT
bibechana-70126	196	10	the	the	DET
bibechana-70126	196	11	binding	bind	VERB
bibechana-70126	196	12	affinity	affinity	NOUN
bibechana-70126	196	13	and	and	CCONJ
bibechana-70126	196	14	various	various	ADJ
bibechana-70126	196	15	docking	docking	NOUN
bibechana-70126	196	16	evaluation	evaluation	NOUN
bibechana-70126	196	17	parameters	parameter	NOUN
bibechana-70126	196	18	are	be	AUX
bibechana-70126	196	19	shown	show	VERB
bibechana-70126	196	20	in	in	ADP
bibechana-70126	196	21	table	table	NOUN
bibechana-70126	196	22	6	6	NUM
bibechana-70126	196	23	.	.	PUNCT
bibechana-70126	197	1	the	the	DET
bibechana-70126	197	2	active	active	ADJ
bibechana-70126	197	3	binding	bind	VERB
bibechana-70126	197	4	sites	site	NOUN
bibechana-70126	197	5	of	of	ADP
bibechana-70126	197	6	protein	protein	NOUN
bibechana-70126	197	7	codes	code	NOUN
bibechana-70126	197	8	1e3	1e3	NUM
bibechana-70126	197	9	g	g	NOUN
bibechana-70126	197	10	and	and	CCONJ
bibechana-70126	197	11	1gs4	1gs4	NUM
bibechana-70126	197	12	both	both	PRON
bibechana-70126	197	13	are	be	AUX
bibechana-70126	197	14	confirmed	confirm	VERB
bibechana-70126	197	15	at	at	ADP
bibechana-70126	197	16	the	the	DET
bibechana-70126	197	17	centre	centre	NOUN
bibechana-70126	197	18	having	have	VERB
bibechana-70126	197	19	coordinates	coordinate	NOUN
bibechana-70126	197	20	x	x	PUNCT
bibechana-70126	197	21	=	=	SYM
bibechana-70126	197	22	6.786	6.786	NUM
bibechana-70126	197	23	,	,	PUNCT
bibechana-70126	197	24	y	y	PROPN
bibechana-70126	197	25	=	=	PROPN
bibechana-70126	197	26	27.710	27.710	NUM
bibechana-70126	197	27	and	and	CCONJ
bibechana-70126	197	28	z	z	NOUN
bibechana-70126	197	29	=	=	SYM
bibechana-70126	197	30	11.102	11.102	NUM
bibechana-70126	197	31	.	.	PUNCT
bibechana-70126	198	1	the	the	DET
bibechana-70126	198	2	binding	bind	VERB
bibechana-70126	198	3	affinity	affinity	NOUN
bibechana-70126	198	4	with	with	ADP
bibechana-70126	198	5	1e3	1e3	NUM
bibechana-70126	198	6	g	g	NOUN
bibechana-70126	198	7	and	and	CCONJ
bibechana-70126	198	8	1gs4	1gs4	NUM
bibechana-70126	198	9	were	be	AUX
bibechana-70126	198	10	found	find	VERB
bibechana-70126	198	11	to	to	PART
bibechana-70126	198	12	be	be	AUX
bibechana-70126	198	13	-7.7	-7.7	ADJ
bibechana-70126	198	14	and	and	CCONJ
bibechana-70126	198	15	-7.8	-7.8	NOUN
bibechana-70126	198	16	kcal	kcal	PROPN
bibechana-70126	198	17	/	/	SYM
bibechana-70126	198	18	mol	mol	NOUN
bibechana-70126	198	19	respectively	respectively	ADV
bibechana-70126	198	20	.	.	PUNCT
bibechana-70126	199	1	the	the	DET
bibechana-70126	199	2	inhibition	inhibition	NOUN
bibechana-70126	199	3	constant	constant	ADJ
bibechana-70126	199	4	for	for	ADP
bibechana-70126	199	5	1gs4	1gs4	NUM
bibechana-70126	199	6	was	be	AUX
bibechana-70126	199	7	found	find	VERB
bibechana-70126	199	8	to	to	PART
bibechana-70126	199	9	be	be	AUX
bibechana-70126	199	10	less	less	ADJ
bibechana-70126	199	11	as	as	ADP
bibechana-70126	199	12	compared	compare	VERB
bibechana-70126	199	13	to	to	ADP
bibechana-70126	199	14	1e3	1e3	NUM
bibechana-70126	199	15	g	g	NOUN
bibechana-70126	199	16	and	and	CCONJ
bibechana-70126	199	17	rmsd	rmsd	VERB
bibechana-70126	199	18	between	between	ADP
bibechana-70126	199	19	the	the	DET
bibechana-70126	199	20	initial	initial	ADJ
bibechana-70126	199	21	structure	structure	NOUN
bibechana-70126	199	22	and	and	CCONJ
bibechana-70126	199	23	docked	docked	ADJ
bibechana-70126	199	24	structure	structure	NOUN
bibechana-70126	199	25	is	be	AUX
bibechana-70126	199	26	0.58	0.58	NUM
bibechana-70126	199	27	å	å	PROPN
bibechana-70126	199	28	for	for	ADP
bibechana-70126	199	29	1gs4	1gs4	NUM
bibechana-70126	199	30	hence	hence	ADV
bibechana-70126	199	31	title	title	NOUN
bibechana-70126	199	32	compound	compound	NOUN
bibechana-70126	199	33	is	be	AUX
bibechana-70126	199	34	a	a	DET
bibechana-70126	199	35	potential	potential	ADJ
bibechana-70126	199	36	inhibitor	inhibitor	NOUN
bibechana-70126	199	37	of	of	ADP
bibechana-70126	199	38	1gs4	1gs4	NUM
bibechana-70126	199	39	.	.	PUNCT
bibechana-70126	200	1	figure	figure	NOUN
bibechana-70126	200	2	8	8	NUM
bibechana-70126	200	3	:	:	PUNCT
bibechana-70126	200	4	(	(	PUNCT
bibechana-70126	200	5	a	a	X
bibechana-70126	200	6	)	)	PUNCT
bibechana-70126	200	7	boiled	boil	VERB
bibechana-70126	200	8	-	-	PUNCT
bibechana-70126	200	9	egg	egg	NOUN
bibechana-70126	200	10	permeation	permeation	NOUN
bibechana-70126	200	11	plot	plot	NOUN
bibechana-70126	200	12	and	and	CCONJ
bibechana-70126	200	13	(	(	PUNCT
bibechana-70126	200	14	b	b	NOUN
bibechana-70126	200	15	)	)	PUNCT
bibechana-70126	200	16	bioavailability	bioavailability	NOUN
bibechana-70126	200	17	radar	radar	NOUN
bibechana-70126	200	18	plot	plot	NOUN
bibechana-70126	200	19	of	of	ADP
bibechana-70126	200	20	cirsilineol	cirsilineol	NOUN
bibechana-70126	200	21	.	.	PUNCT
bibechana-70126	201	1	figure	figure	NOUN
bibechana-70126	201	2	9	9	NUM
bibechana-70126	201	3	:	:	PUNCT
bibechana-70126	201	4	docking	docking	NOUN
bibechana-70126	201	5	of	of	ADP
bibechana-70126	201	6	different	different	ADJ
bibechana-70126	201	7	protein	protein	NOUN
bibechana-70126	201	8	codes	code	NOUN
bibechana-70126	201	9	of	of	ADP
bibechana-70126	201	10	androgen	androgen	NOUN
bibechana-70126	201	11	receptor	receptor	NOUN
bibechana-70126	201	12	with	with	ADP
bibechana-70126	201	13	cirsilineol	cirsilineol	NOUN
bibechana-70126	201	14	showing	show	VERB
bibechana-70126	201	15	best	good	ADJ
bibechana-70126	201	16	binding	bind	VERB
bibechana-70126	201	17	modes	mode	NOUN
bibechana-70126	201	18	and	and	CCONJ
bibechana-70126	201	19	interactions	interaction	NOUN
bibechana-70126	201	20	tirth	tirth	NOUN
bibechana-70126	201	21	raj	raj	PROPN
bibechana-70126	201	22	paneru	paneru	PROPN
bibechana-70126	201	23	et	et	PROPN
bibechana-70126	202	1	al./	al./	ADV
bibechana-70126	202	2	bibechana	bibechana	PROPN
bibechana-70126	202	3	22	22	NUM
bibechana-70126	202	4	(	(	PUNCT
bibechana-70126	202	5	2025	2025	NUM
bibechana-70126	202	6	)	)	PUNCT
bibechana-70126	202	7	1	1	NUM
bibechana-70126	202	8	-	-	SYM
bibechana-70126	202	9	14	14	NUM
bibechana-70126	202	10	11	11	NUM
bibechana-70126	202	11	4	4	NUM
bibechana-70126	202	12	conclusion	conclusion	NOUN
bibechana-70126	202	13	in	in	ADP
bibechana-70126	202	14	this	this	DET
bibechana-70126	202	15	study	study	NOUN
bibechana-70126	202	16	,	,	PUNCT
bibechana-70126	202	17	we	we	PRON
bibechana-70126	202	18	employed	employ	VERB
bibechana-70126	202	19	dft	dft	NOUN
bibechana-70126	202	20	calculations	calculation	NOUN
bibechana-70126	202	21	to	to	PART
bibechana-70126	202	22	analyze	analyze	VERB
bibechana-70126	202	23	the	the	DET
bibechana-70126	202	24	vibrational	vibrational	ADJ
bibechana-70126	202	25	bands	band	NOUN
bibechana-70126	202	26	(	(	PUNCT
bibechana-70126	202	27	ft	ft	NOUN
bibechana-70126	202	28	-	-	PUNCT
bibechana-70126	202	29	ir	ir	PROPN
bibechana-70126	202	30	and	and	CCONJ
bibechana-70126	202	31	raman	raman	NOUN
bibechana-70126	202	32	)	)	PUNCT
bibechana-70126	202	33	associated	associate	VERB
bibechana-70126	202	34	with	with	ADP
bibechana-70126	202	35	various	various	ADJ
bibechana-70126	202	36	moieties	moiety	NOUN
bibechana-70126	202	37	of	of	ADP
bibechana-70126	202	38	cirsilineol	cirsilineol	NOUN
bibechana-70126	202	39	.	.	PUNCT
bibechana-70126	203	1	the	the	DET
bibechana-70126	203	2	ft	ft	PROPN
bibechana-70126	203	3	-	-	PUNCT
bibechana-70126	203	4	ir	ir	PROPN
bibechana-70126	203	5	and	and	CCONJ
bibechana-70126	203	6	raman	raman	ADJ
bibechana-70126	203	7	spectra	spectra	NOUN
bibechana-70126	203	8	were	be	AUX
bibechana-70126	203	9	simulated	simulate	VERB
bibechana-70126	203	10	,	,	PUNCT
bibechana-70126	203	11	and	and	CCONJ
bibechana-70126	203	12	the	the	DET
bibechana-70126	203	13	stretching	stretch	VERB
bibechana-70126	203	14	vibrational	vibrational	ADJ
bibechana-70126	203	15	wavenumber	wavenumber	NOUN
bibechana-70126	203	16	of	of	ADP
bibechana-70126	203	17	the	the	DET
bibechana-70126	203	18	oh	oh	PROPN
bibechana-70126	203	19	group	group	NOUN
bibechana-70126	203	20	in	in	ADP
bibechana-70126	203	21	ring	ring	NOUN
bibechana-70126	203	22	r1	r1	PROPN
bibechana-70126	203	23	was	be	AUX
bibechana-70126	203	24	found	find	VERB
bibechana-70126	203	25	to	to	PART
bibechana-70126	203	26	be	be	AUX
bibechana-70126	203	27	lower	low	ADJ
bibechana-70126	203	28	due	due	ADP
bibechana-70126	203	29	to	to	ADP
bibechana-70126	203	30	the	the	DET
bibechana-70126	203	31	existence	existence	NOUN
bibechana-70126	203	32	of	of	ADP
bibechana-70126	203	33	intra	intra	ADJ
bibechana-70126	203	34	-	-	ADJ
bibechana-70126	203	35	molecular	molecular	ADJ
bibechana-70126	203	36	hydrogen	hydrogen	NOUN
bibechana-70126	203	37	bonding	bonding	NOUN
bibechana-70126	203	38	o4h31	o4h31	PROPN
bibechana-70126	203	39	.	.	PUNCT
bibechana-70126	203	40	.	.	PUNCT
bibechana-70126	203	41	.	.	PUNCT
bibechana-70126	204	1	o5	o5	PROPN
bibechana-70126	204	2	.	.	PUNCT
bibechana-70126	205	1	the	the	DET
bibechana-70126	205	2	dos	dos	PROPN
bibechana-70126	205	3	spectrum	spectrum	NOUN
bibechana-70126	205	4	indicates	indicate	VERB
bibechana-70126	205	5	an	an	DET
bibechana-70126	205	6	electron	electron	NOUN
bibechana-70126	205	7	transition	transition	NOUN
bibechana-70126	205	8	from	from	ADP
bibechana-70126	205	9	the	the	DET
bibechana-70126	205	10	valence	valence	NOUN
bibechana-70126	205	11	band	band	NOUN
bibechana-70126	205	12	to	to	ADP
bibechana-70126	205	13	the	the	DET
bibechana-70126	205	14	conduction	conduction	NOUN
bibechana-70126	205	15	band	band	NOUN
bibechana-70126	205	16	,	,	PUNCT
bibechana-70126	205	17	suggesting	suggest	VERB
bibechana-70126	205	18	that	that	SCONJ
bibechana-70126	205	19	the	the	DET
bibechana-70126	205	20	band	band	NOUN
bibechana-70126	205	21	gap	gap	NOUN
bibechana-70126	205	22	in	in	ADP
bibechana-70126	205	23	the	the	DET
bibechana-70126	205	24	ethanol	ethanol	NOUN
bibechana-70126	205	25	solvent	solvent	NOUN
bibechana-70126	205	26	is	be	AUX
bibechana-70126	205	27	3.92	3.92	NUM
bibechana-70126	205	28	ev	ev	NOUN
bibechana-70126	205	29	,	,	PUNCT
bibechana-70126	205	30	while	while	SCONJ
bibechana-70126	205	31	in	in	ADP
bibechana-70126	205	32	the	the	DET
bibechana-70126	205	33	gaseous	gaseous	ADJ
bibechana-70126	205	34	medium	medium	NOUN
bibechana-70126	205	35	it	it	PRON
bibechana-70126	205	36	is	be	AUX
bibechana-70126	205	37	3.97	3.97	NUM
bibechana-70126	205	38	ev	ev	NOUN
bibechana-70126	205	39	.	.	PUNCT
bibechana-70126	206	1	this	this	PRON
bibechana-70126	206	2	suggests	suggest	VERB
bibechana-70126	206	3	that	that	SCONJ
bibechana-70126	206	4	the	the	DET
bibechana-70126	206	5	title	title	NOUN
bibechana-70126	206	6	compound	compound	NOUN
bibechana-70126	206	7	is	be	AUX
bibechana-70126	206	8	more	more	ADV
bibechana-70126	206	9	reactive	reactive	ADJ
bibechana-70126	206	10	in	in	ADP
bibechana-70126	206	11	an	an	DET
bibechana-70126	206	12	ethanol	ethanol	NOUN
bibechana-70126	206	13	solvent	solvent	NOUN
bibechana-70126	206	14	.	.	PUNCT
bibechana-70126	207	1	the	the	DET
bibechana-70126	207	2	transition	transition	NOUN
bibechana-70126	207	3	of	of	ADP
bibechana-70126	207	4	electrons	electron	NOUN
bibechana-70126	207	5	between	between	ADP
bibechana-70126	207	6	homo	homo	NOUN
bibechana-70126	207	7	and	and	CCONJ
bibechana-70126	207	8	lumo	lumo	NOUN
bibechana-70126	207	9	is	be	AUX
bibechana-70126	207	10	the	the	DET
bibechana-70126	207	11	first	first	ADJ
bibechana-70126	207	12	excited	excited	ADJ
bibechana-70126	207	13	state	state	NOUN
bibechana-70126	207	14	for	for	ADP
bibechana-70126	207	15	both	both	CCONJ
bibechana-70126	207	16	gaseous	gaseous	ADJ
bibechana-70126	207	17	and	and	CCONJ
bibechana-70126	207	18	solvent	solvent	NOUN
bibechana-70126	207	19	mediums	medium	NOUN
bibechana-70126	207	20	,	,	PUNCT
bibechana-70126	207	21	with	with	ADP
bibechana-70126	207	22	absorption	absorption	NOUN
bibechana-70126	207	23	wavelengths	wavelength	NOUN
bibechana-70126	207	24	of	of	ADP
bibechana-70126	207	25	363.40	363.40	NUM
bibechana-70126	207	26	nm	nm	NOUN
bibechana-70126	207	27	and	and	CCONJ
bibechana-70126	207	28	359.80	359.80	NUM
bibechana-70126	207	29	nm	nm	NOUN
bibechana-70126	207	30	,	,	PUNCT
bibechana-70126	207	31	respectively	respectively	ADV
bibechana-70126	207	32	.	.	PUNCT
bibechana-70126	208	1	the	the	DET
bibechana-70126	208	2	decrease	decrease	NOUN
bibechana-70126	208	3	in	in	ADP
bibechana-70126	208	4	wavelength	wavelength	NOUN
bibechana-70126	208	5	in	in	ADP
bibechana-70126	208	6	the	the	DET
bibechana-70126	208	7	solvent	solvent	NOUN
bibechana-70126	208	8	indicates	indicate	VERB
bibechana-70126	208	9	a	a	DET
bibechana-70126	208	10	blue	blue	ADJ
bibechana-70126	208	11	shift	shift	NOUN
bibechana-70126	208	12	,	,	PUNCT
bibechana-70126	208	13	and	and	CCONJ
bibechana-70126	208	14	there	there	PRON
bibechana-70126	208	15	is	be	VERB
bibechana-70126	208	16	a	a	DET
bibechana-70126	208	17	transition	transition	NOUN
bibechana-70126	208	18	from	from	ADP
bibechana-70126	208	19	n→	n→	NOUN
bibechana-70126	208	20	*	*	NUM
bibechana-70126	208	21	.	.	PUNCT
bibechana-70126	209	1	the	the	DET
bibechana-70126	209	2	electrostatic	electrostatic	ADJ
bibechana-70126	209	3	potential	potential	NOUN
bibechana-70126	209	4	mapped	map	VERB
bibechana-70126	209	5	with	with	ADP
bibechana-70126	209	6	the	the	DET
bibechana-70126	209	7	van	van	PROPN
bibechana-70126	209	8	der	der	NOUN
bibechana-70126	209	9	waals	waal	NOUN
bibechana-70126	209	10	surface	surface	NOUN
bibechana-70126	209	11	showed	show	VERB
bibechana-70126	209	12	that	that	SCONJ
bibechana-70126	209	13	the	the	DET
bibechana-70126	209	14	global	global	ADJ
bibechana-70126	209	15	minimum	minimum	ADJ
bibechana-70126	209	16	and	and	CCONJ
bibechana-70126	209	17	maximum	maximum	ADJ
bibechana-70126	209	18	potential	potential	NOUN
bibechana-70126	209	19	of	of	ADP
bibechana-70126	209	20	cirsilineol	cirsilineol	NOUN
bibechana-70126	209	21	were	be	AUX
bibechana-70126	209	22	determined	determine	VERB
bibechana-70126	209	23	to	to	PART
bibechana-70126	209	24	be	be	AUX
bibechana-70126	209	25	-38.38	-38.38	PROPN
bibechana-70126	209	26	kcal	kcal	PROPN
bibechana-70126	209	27	/	/	SYM
bibechana-70126	209	28	mol	mol	PROPN
bibechana-70126	209	29	for	for	ADP
bibechana-70126	209	30	o5	o5	PROPN
bibechana-70126	209	31	and	and	CCONJ
bibechana-70126	209	32	56.88	56.88	NUM
bibechana-70126	209	33	kcal	kcal	NOUN
bibechana-70126	209	34	/	/	SYM
bibechana-70126	209	35	mol	mol	NOUN
bibechana-70126	209	36	for	for	ADP
bibechana-70126	209	37	h38	h38	NOUN
bibechana-70126	209	38	,	,	PUNCT
bibechana-70126	209	39	respectively	respectively	ADV
bibechana-70126	209	40	.	.	PUNCT
bibechana-70126	210	1	this	this	PRON
bibechana-70126	210	2	implies	imply	VERB
bibechana-70126	210	3	that	that	SCONJ
bibechana-70126	210	4	o5	o5	PROPN
bibechana-70126	210	5	and	and	CCONJ
bibechana-70126	210	6	h38	h38	NOUN
bibechana-70126	210	7	tirth	tirth	NOUN
bibechana-70126	210	8	raj	raj	PROPN
bibechana-70126	210	9	paneru	paneru	PROPN
bibechana-70126	210	10	et	et	PROPN
bibechana-70126	210	11	al./	al./	ADV
bibechana-70126	210	12	bibechana	bibechana	PROPN
bibechana-70126	210	13	22	22	NUM
bibechana-70126	210	14	(	(	PUNCT
bibechana-70126	210	15	2025	2025	NUM
bibechana-70126	210	16	)	)	PUNCT
bibechana-70126	210	17	1	1	NUM
bibechana-70126	210	18	-	-	SYM
bibechana-70126	210	19	14	14	NUM
bibechana-70126	210	20	12	12	NUM
bibechana-70126	210	21	are	be	AUX
bibechana-70126	210	22	the	the	DET
bibechana-70126	210	23	effective	effective	ADJ
bibechana-70126	210	24	nucleophile	nucleophile	ADJ
bibechana-70126	210	25	and	and	CCONJ
bibechana-70126	210	26	electrophile	electrophile	NOUN
bibechana-70126	210	27	,	,	PUNCT
bibechana-70126	210	28	which	which	PRON
bibechana-70126	210	29	could	could	AUX
bibechana-70126	210	30	lay	lay	VERB
bibechana-70126	210	31	the	the	DET
bibechana-70126	210	32	groundwork	groundwork	NOUN
bibechana-70126	210	33	for	for	ADP
bibechana-70126	210	34	intermolecular	intermolecular	ADJ
bibechana-70126	210	35	hydrogen	hydrogen	NOUN
bibechana-70126	210	36	bonding	bonding	NOUN
bibechana-70126	210	37	in	in	ADP
bibechana-70126	210	38	crystal	crystal	NOUN
bibechana-70126	210	39	packing	packing	NOUN
bibechana-70126	210	40	.	.	PUNCT
bibechana-70126	211	1	natural	natural	ADJ
bibechana-70126	211	2	population	population	NOUN
bibechana-70126	211	3	analysis	analysis	NOUN
bibechana-70126	211	4	predicted	predict	VERB
bibechana-70126	211	5	that	that	SCONJ
bibechana-70126	211	6	o4	o4	PROPN
bibechana-70126	211	7	and	and	CCONJ
bibechana-70126	211	8	h31	h31	ADJ
bibechana-70126	211	9	atoms	atom	NOUN
bibechana-70126	211	10	had	have	VERB
bibechana-70126	211	11	the	the	DET
bibechana-70126	211	12	highest	high	ADJ
bibechana-70126	211	13	negative	negative	ADJ
bibechana-70126	211	14	and	and	CCONJ
bibechana-70126	211	15	positive	positive	ADJ
bibechana-70126	211	16	charge	charge	NOUN
bibechana-70126	211	17	,	,	PUNCT
bibechana-70126	211	18	respectively	respectively	ADV
bibechana-70126	211	19	,	,	PUNCT
bibechana-70126	211	20	supported	support	VERB
bibechana-70126	211	21	the	the	DET
bibechana-70126	211	22	intra	intra	ADJ
bibechana-70126	211	23	-	-	ADJ
bibechana-70126	211	24	molecular	molecular	ADJ
bibechana-70126	211	25	hydrogen	hydrogen	NOUN
bibechana-70126	211	26	bonding	bonding	NOUN
bibechana-70126	211	27	o4	o4	NOUN
bibechana-70126	211	28	-	-	PUNCT
bibechana-70126	211	29	h31	h31	NOUN
bibechana-70126	211	30	.	.	PUNCT
bibechana-70126	211	31	.	.	PUNCT
bibechana-70126	211	32	.	.	PUNCT
bibechana-70126	212	1	o5	o5	PROPN
bibechana-70126	212	2	.	.	PUNCT
bibechana-70126	213	1	the	the	DET
bibechana-70126	213	2	nlo	nlo	PROPN
bibechana-70126	213	3	study	study	NOUN
bibechana-70126	213	4	confirmed	confirm	VERB
bibechana-70126	213	5	that	that	SCONJ
bibechana-70126	213	6	cirsilineol	cirsilineol	NOUN
bibechana-70126	213	7	can	can	AUX
bibechana-70126	213	8	be	be	AUX
bibechana-70126	213	9	used	use	VERB
bibechana-70126	213	10	as	as	ADP
bibechana-70126	213	11	an	an	DET
bibechana-70126	213	12	nlo	nlo	PROPN
bibechana-70126	213	13	material	material	NOUN
bibechana-70126	213	14	.	.	PUNCT
bibechana-70126	214	1	admet	admet	PROPN
bibechana-70126	214	2	analysis	analysis	NOUN
bibechana-70126	214	3	confirmed	confirm	VERB
bibechana-70126	214	4	that	that	SCONJ
bibechana-70126	214	5	the	the	DET
bibechana-70126	214	6	title	title	NOUN
bibechana-70126	214	7	compound	compound	NOUN
bibechana-70126	214	8	is	be	AUX
bibechana-70126	214	9	nontoxic	nontoxic	ADJ
bibechana-70126	214	10	and	and	CCONJ
bibechana-70126	214	11	orally	orally	ADV
bibechana-70126	214	12	accepted	accept	VERB
bibechana-70126	214	13	.	.	PUNCT
bibechana-70126	215	1	finally	finally	ADV
bibechana-70126	215	2	,	,	PUNCT
bibechana-70126	215	3	molecular	molecular	ADJ
bibechana-70126	215	4	docking	docking	NOUN
bibechana-70126	215	5	with	with	ADP
bibechana-70126	215	6	the	the	DET
bibechana-70126	215	7	androgen	androgen	NOUN
bibechana-70126	215	8	receptor	receptor	NOUN
bibechana-70126	215	9	shows	show	VERB
bibechana-70126	215	10	that	that	SCONJ
bibechana-70126	215	11	it	it	PRON
bibechana-70126	215	12	has	have	VERB
bibechana-70126	215	13	the	the	DET
bibechana-70126	215	14	lowest	low	ADJ
bibechana-70126	215	15	binding	bind	VERB
bibechana-70126	215	16	affinity	affinity	NOUN
bibechana-70126	215	17	of	of	ADP
bibechana-70126	215	18	-7.8	-7.8	NOUN
bibechana-70126	215	19	kcal	kcal	PROPN
bibechana-70126	215	20	/	/	SYM
bibechana-70126	215	21	mol	mol	NOUN
bibechana-70126	215	22	with	with	ADP
bibechana-70126	215	23	the	the	DET
bibechana-70126	215	24	protein	protein	NOUN
bibechana-70126	215	25	code	code	NOUN
bibechana-70126	215	26	1gs4	1gs4	NUM
bibechana-70126	215	27	and	and	CCONJ
bibechana-70126	215	28	the	the	DET
bibechana-70126	215	29	lowest	low	ADJ
bibechana-70126	215	30	inhibition	inhibition	NOUN
bibechana-70126	215	31	constant	constant	ADJ
bibechana-70126	215	32	,	,	PUNCT
bibechana-70126	215	33	suggesting	suggest	VERB
bibechana-70126	215	34	that	that	SCONJ
bibechana-70126	215	35	cirsilineol	cirsilineol	NOUN
bibechana-70126	215	36	may	may	AUX
bibechana-70126	215	37	be	be	AUX
bibechana-70126	215	38	an	an	DET
bibechana-70126	215	39	inhibitor	inhibitor	NOUN
bibechana-70126	215	40	of	of	ADP
bibechana-70126	215	41	1gs4	1gs4	NUM
bibechana-70126	215	42	.	.	PUNCT
bibechana-70126	216	1	acknowledgments	acknowledgment	NOUN
bibechana-70126	216	2	t.r	t.r	PROPN
bibechana-70126	216	3	.	.	PROPN
bibechana-70126	216	4	paneru	paneru	PROPN
bibechana-70126	216	5	acknowledges	acknowledge	VERB
bibechana-70126	216	6	dst	dst	PROPN
bibechana-70126	216	7	,	,	PUNCT
bibechana-70126	216	8	india	india	PROPN
bibechana-70126	216	9	for	for	ADP
bibechana-70126	216	10	granting	grant	VERB
bibechana-70126	216	11	a	a	DET
bibechana-70126	216	12	partial	partial	ADJ
bibechana-70126	216	13	fellowship	fellowship	NOUN
bibechana-70126	216	14	(	(	PUNCT
bibechana-70126	216	15	insa	insa	PROPN
bibechana-70126	216	16	/	/	SYM
bibechana-70126	216	17	dstisrf/2023	dstisrf/2023	PROPN
bibechana-70126	216	18	/	/	SYM
bibechana-70126	216	19	nep/08/13	nep/08/13	NOUN
bibechana-70126	216	20	)	)	PUNCT
bibechana-70126	216	21	,	,	PUNCT
bibechana-70126	216	22	and	and	CCONJ
bibechana-70126	216	23	b.d	b.d	PROPN
bibechana-70126	216	24	.	.	PROPN
bibechana-70126	216	25	joshi	joshi	PROPN
bibechana-70126	216	26	acknowledges	acknowledge	VERB
bibechana-70126	216	27	the	the	DET
bibechana-70126	216	28	university	university	NOUN
bibechana-70126	216	29	grant	grant	PROPN
bibechana-70126	216	30	commission	commission	PROPN
bibechana-70126	216	31	(	(	PUNCT
bibechana-70126	216	32	ugc	ugc	PROPN
bibechana-70126	216	33	)	)	PUNCT
bibechana-70126	216	34	,	,	PUNCT
bibechana-70126	216	35	nepal	nepal	NOUN
bibechana-70126	216	36	for	for	ADP
bibechana-70126	216	37	partial	partial	ADJ
bibechana-70126	216	38	financial	financial	ADJ
bibechana-70126	216	39	support	support	NOUN
bibechana-70126	216	40	to	to	ADP
bibechana-70126	216	41	this	this	DET
bibechana-70126	216	42	work	work	NOUN
bibechana-70126	216	43	under	under	ADP
bibechana-70126	216	44	the	the	DET
bibechana-70126	216	45	faculty	faculty	NOUN
bibechana-70126	216	46	research	research	NOUN
bibechana-70126	216	47	grant	grant	NOUN
bibechana-70126	216	48	(	(	PUNCT
bibechana-70126	216	49	frg-79/80s&t-05	frg-79/80s&t-05	PROPN
bibechana-70126	216	50	)	)	PUNCT
bibechana-70126	216	51	.	.	PUNCT
bibechana-70126	217	1	author	author	NOUN
bibechana-70126	217	2	contributions	contributions	PROPN
bibechana-70126	217	3	t.r	t.r	PROPN
bibechana-70126	217	4	.	.	PROPN
bibechana-70126	217	5	paneru	paneru	PROPN
bibechana-70126	217	6	:	:	PUNCT
bibechana-70126	217	7	writing	write	VERB
bibechana-70126	217	8	-	-	PUNCT
bibechana-70126	217	9	original	original	ADJ
bibechana-70126	217	10	draft	draft	NOUN
bibechana-70126	217	11	,	,	PUNCT
bibechana-70126	217	12	investigation	investigation	NOUN
bibechana-70126	217	13	,	,	PUNCT
bibechana-70126	217	14	and	and	CCONJ
bibechana-70126	217	15	formal	formal	ADJ
bibechana-70126	217	16	analysis	analysis	NOUN
bibechana-70126	217	17	;	;	PUNCT
bibechana-70126	217	18	p.	p.	PROPN
bibechana-70126	217	19	tandon	tandon	PROPN
bibechana-70126	217	20	:	:	PUNCT
bibechana-70126	217	21	software	software	NOUN
bibechana-70126	217	22	and	and	CCONJ
bibechana-70126	217	23	supervision	supervision	NOUN
bibechana-70126	217	24	;	;	PUNCT
bibechana-70126	218	1	b.d	b.d	PROPN
bibechana-70126	218	2	.	.	PROPN
bibechana-70126	218	3	joshi	joshi	PROPN
bibechana-70126	218	4	:	:	PUNCT
bibechana-70126	218	5	writing	write	VERB
bibechana-70126	218	6	-	-	PUNCT
bibechana-70126	218	7	review	review	NOUN
bibechana-70126	218	8	,	,	PUNCT
bibechana-70126	218	9	editing	editing	NOUN
bibechana-70126	218	10	,	,	PUNCT
bibechana-70126	218	11	and	and	CCONJ
bibechana-70126	218	12	supervision	supervision	NOUN
bibechana-70126	218	13	.	.	PUNCT
bibechana-70126	219	1	data	datum	NOUN
bibechana-70126	219	2	availability	availability	NOUN
bibechana-70126	219	3	the	the	DET
bibechana-70126	219	4	data	datum	NOUN
bibechana-70126	219	5	supporting	support	VERB
bibechana-70126	219	6	the	the	DET
bibechana-70126	219	7	findings	finding	NOUN
bibechana-70126	219	8	of	of	ADP
bibechana-70126	219	9	this	this	DET
bibechana-70126	219	10	study	study	NOUN
bibechana-70126	219	11	are	be	AUX
bibechana-70126	219	12	available	available	ADJ
bibechana-70126	219	13	from	from	ADP
bibechana-70126	219	14	the	the	DET
bibechana-70126	219	15	corresponding	corresponding	ADJ
bibechana-70126	219	16	author	author	NOUN
bibechana-70126	219	17	upon	upon	SCONJ
bibechana-70126	219	18	reasonable	reasonable	ADJ
bibechana-70126	219	19	request	request	NOUN
bibechana-70126	219	20	.	.	PUNCT
bibechana-70126	220	1	references	reference	NOUN
bibechana-70126	220	2	[	[	X
bibechana-70126	220	3	1	1	X
bibechana-70126	220	4	]	]	X
bibechana-70126	220	5	d.k	d.k	PROPN
bibechana-70126	220	6	.	.	PROPN
bibechana-70126	220	7	patel	patel	PROPN
bibechana-70126	220	8	.	.	PUNCT
bibechana-70126	221	1	health	health	NOUN
bibechana-70126	221	2	benefits	benefit	NOUN
bibechana-70126	221	3	,	,	PUNCT
bibechana-70126	221	4	therapeutic	therapeutic	ADJ
bibechana-70126	221	5	applications	application	NOUN
bibechana-70126	221	6	,	,	PUNCT
bibechana-70126	221	7	and	and	CCONJ
bibechana-70126	221	8	recent	recent	ADJ
bibechana-70126	221	9	advances	advance	NOUN
bibechana-70126	221	10	of	of	ADP
bibechana-70126	221	11	cirsilineol	cirsilineol	NOUN
bibechana-70126	221	12	in	in	ADP
bibechana-70126	221	13	the	the	DET
bibechana-70126	221	14	medicine	medicine	NOUN
bibechana-70126	221	15	:	:	PUNCT
bibechana-70126	221	16	potential	potential	ADJ
bibechana-70126	221	17	bioactive	bioactive	ADJ
bibechana-70126	221	18	natural	natural	ADJ
bibechana-70126	221	19	flavonoids	flavonoid	NOUN
bibechana-70126	221	20	of	of	ADP
bibechana-70126	221	21	genus	genus	ADJ
bibechana-70126	221	22	artemisia	artemisia	NOUN
bibechana-70126	221	23	.	.	PUNCT
bibechana-70126	222	1	emiddt	emiddt	ADJ
bibechana-70126	222	2	,	,	PUNCT
bibechana-70126	222	3	23:894–907	23:894–907	PROPN
bibechana-70126	222	4	,	,	PUNCT
bibechana-70126	222	5	2023	2023	NUM
bibechana-70126	222	6	.	.	PUNCT
bibechana-70126	223	1	[	[	X
bibechana-70126	223	2	2	2	NUM
bibechana-70126	223	3	]	]	PUNCT
bibechana-70126	223	4	a.	a.	PROPN
bibechana-70126	223	5	ullah	ullah	PROPN
bibechana-70126	223	6	,	,	PUNCT
bibechana-70126	223	7	s.	s.	PROPN
bibechana-70126	223	8	munir	munir	PROPN
bibechana-70126	223	9	,	,	PUNCT
bibechana-70126	223	10	s.l	s.l	PROPN
bibechana-70126	223	11	.	.	PROPN
bibechana-70126	223	12	badshah	badshah	PROPN
bibechana-70126	223	13	,	,	PUNCT
bibechana-70126	223	14	n.	n.	PROPN
bibechana-70126	223	15	khan	khan	PROPN
bibechana-70126	223	16	,	,	PUNCT
bibechana-70126	223	17	l.	l.	PROPN
bibechana-70126	223	18	ghani	ghani	PROPN
bibechana-70126	223	19	,	,	PUNCT
bibechana-70126	223	20	b.g	b.g	PROPN
bibechana-70126	223	21	.	.	PROPN
bibechana-70126	223	22	poulson	poulson	PROPN
bibechana-70126	223	23	,	,	PUNCT
bibechana-70126	223	24	a.	a.	PROPN
bibechana-70126	223	25	h.	h.	PROPN
bibechana-70126	223	26	emwas	emwas	PROPN
bibechana-70126	223	27	,	,	PUNCT
bibechana-70126	223	28	and	and	CCONJ
bibechana-70126	223	29	m.	m.	NOUN
bibechana-70126	223	30	jaremko	jaremko	PROPN
bibechana-70126	223	31	.	.	PUNCT
bibechana-70126	224	1	important	important	ADJ
bibechana-70126	224	2	flavonoids	flavonoid	NOUN
bibechana-70126	224	3	and	and	CCONJ
bibechana-70126	224	4	their	their	PRON
bibechana-70126	224	5	role	role	NOUN
bibechana-70126	224	6	as	as	ADP
bibechana-70126	224	7	a	a	DET
bibechana-70126	224	8	therapeutic	therapeutic	ADJ
bibechana-70126	224	9	agent	agent	NOUN
bibechana-70126	224	10	.	.	PUNCT
bibechana-70126	225	1	molecules	molecule	NOUN
bibechana-70126	225	2	,	,	PUNCT
bibechana-70126	225	3	25:5243	25:5243	NUM
bibechana-70126	225	4	,	,	PUNCT
bibechana-70126	225	5	2020	2020	NUM
bibechana-70126	225	6	.	.	PUNCT
bibechana-70126	226	1	[	[	X
bibechana-70126	226	2	3	3	NUM
bibechana-70126	226	3	]	]	X
bibechana-70126	226	4	g.o	g.o	PROPN
bibechana-70126	226	5	.	.	PUNCT
bibechana-70126	226	6	kim	kim	PROPN
bibechana-70126	226	7	,	,	PUNCT
bibechana-70126	226	8	j.b	j.b	PROPN
bibechana-70126	226	9	.	.	PUNCT
bibechana-70126	227	1	heo	heo	PROPN
bibechana-70126	227	2	,	,	PUNCT
bibechana-70126	227	3	d.h	d.h	PROPN
bibechana-70126	227	4	.	.	PROPN
bibechana-70126	227	5	park	park	PROPN
bibechana-70126	227	6	,	,	PUNCT
bibechana-70126	227	7	g.y	g.y	PROPN
bibechana-70126	227	8	.	.	PROPN
bibechana-70126	227	9	song	song	PROPN
bibechana-70126	227	10	,	,	PUNCT
bibechana-70126	227	11	and	and	CCONJ
bibechana-70126	227	12	j.	j.	PROPN
bibechana-70126	227	13	s.	s.	PROPN
bibechana-70126	227	14	bae	bae	PROPN
bibechana-70126	227	15	.	.	PUNCT
bibechana-70126	228	1	antiplatelet	antiplatelet	NOUN
bibechana-70126	228	2	aggregation	aggregation	NOUN
bibechana-70126	228	3	properties	property	NOUN
bibechana-70126	228	4	of	of	ADP
bibechana-70126	228	5	cirsilineol	cirsilineol	NOUN
bibechana-70126	228	6	:	:	PUNCT
bibechana-70126	228	7	a	a	DET
bibechana-70126	228	8	novel	novel	ADJ
bibechana-70126	228	9	inhibitor	inhibitor	NOUN
bibechana-70126	228	10	of	of	ADP
bibechana-70126	228	11	blood	blood	NOUN
bibechana-70126	228	12	coagulation	coagulation	NOUN
bibechana-70126	228	13	factor	factor	NOUN
bibechana-70126	228	14	xa	xa	PROPN
bibechana-70126	228	15	.	.	PUNCT
bibechana-70126	228	16	pharmaceuticals	pharmaceutical	NOUN
bibechana-70126	228	17	,	,	PUNCT
bibechana-70126	228	18	16:588	16:588	NUM
bibechana-70126	228	19	,	,	PUNCT
bibechana-70126	228	20	2023	2023	NUM
bibechana-70126	228	21	.	.	PUNCT
bibechana-70126	229	1	[	[	X
bibechana-70126	229	2	4	4	X
bibechana-70126	229	3	]	]	PUNCT
bibechana-70126	229	4	j.	j.	PROPN
bibechana-70126	229	5	wang	wang	PROPN
bibechana-70126	229	6	,	,	PUNCT
bibechana-70126	229	7	y.	y.	PROPN
bibechana-70126	229	8	sun	sun	PROPN
bibechana-70126	229	9	,	,	PUNCT
bibechana-70126	229	10	y.	y.	PROPN
bibechana-70126	229	11	li	li	PROPN
bibechana-70126	229	12	,	,	PUNCT
bibechana-70126	229	13	and	and	CCONJ
bibechana-70126	229	14	q.	q.	PROPN
bibechana-70126	229	15	xu	xu	PROPN
bibechana-70126	229	16	.	.	PUNCT
bibechana-70126	229	17	aqueous	aqueous	ADJ
bibechana-70126	229	18	extract	extract	NOUN
bibechana-70126	229	19	from	from	ADP
bibechana-70126	229	20	aerial	aerial	ADJ
bibechana-70126	229	21	parts	part	NOUN
bibechana-70126	229	22	of	of	ADP
bibechana-70126	229	23	artemisia	artemisia	PROPN
bibechana-70126	229	24	vestita	vestita	PROPN
bibechana-70126	229	25	,	,	PUNCT
bibechana-70126	229	26	a	a	DET
bibechana-70126	229	27	traditional	traditional	ADJ
bibechana-70126	229	28	tibetan	tibetan	ADJ
bibechana-70126	229	29	medicine	medicine	NOUN
bibechana-70126	229	30	,	,	PUNCT
bibechana-70126	229	31	reduces	reduce	VERB
bibechana-70126	229	32	contact	contact	NOUN
bibechana-70126	229	33	sensitivity	sensitivity	NOUN
bibechana-70126	229	34	in	in	ADP
bibechana-70126	229	35	mice	mouse	NOUN
bibechana-70126	229	36	by	by	ADP
bibechana-70126	229	37	down	down	ADV
bibechana-70126	229	38	-	-	PUNCT
bibechana-70126	229	39	regulating	regulate	VERB
bibechana-70126	229	40	the	the	DET
bibechana-70126	229	41	activation	activation	NOUN
bibechana-70126	229	42	,	,	PUNCT
bibechana-70126	229	43	adhesion	adhesion	NOUN
bibechana-70126	229	44	and	and	CCONJ
bibechana-70126	229	45	metalloproteinase	metalloproteinase	NOUN
bibechana-70126	229	46	production	production	NOUN
bibechana-70126	229	47	of	of	ADP
bibechana-70126	229	48	t	t	PROPN
bibechana-70126	229	49	lymphocytes	lymphocyte	NOUN
bibechana-70126	229	50	.	.	PUNCT
bibechana-70126	230	1	int	int	NOUN
bibechana-70126	230	2	.	.	PUNCT
bibechana-70126	231	1	immunopharmacol	immunopharmacol	PROPN
bibechana-70126	231	2	.	.	PROPN
bibechana-70126	231	3	,	,	PUNCT
bibechana-70126	232	1	5:407–415	5:407–415	NUM
bibechana-70126	232	2	,	,	PUNCT
bibechana-70126	232	3	2005	2005	NUM
bibechana-70126	232	4	.	.	PUNCT
bibechana-70126	233	1	[	[	X
bibechana-70126	233	2	5	5	NUM
bibechana-70126	233	3	]	]	PUNCT
bibechana-70126	233	4	x.	x.	NOUN
bibechana-70126	233	5	sheng	sheng	PROPN
bibechana-70126	233	6	,	,	PUNCT
bibechana-70126	233	7	y.	y.	PROPN
bibechana-70126	233	8	sun	sun	PROPN
bibechana-70126	233	9	,	,	PUNCT
bibechana-70126	233	10	y.	y.	PROPN
bibechana-70126	233	11	yin	yin	PROPN
bibechana-70126	233	12	,	,	PUNCT
bibechana-70126	233	13	t.	t.	PROPN
bibechana-70126	233	14	chen	chen	PROPN
bibechana-70126	233	15	,	,	PUNCT
bibechana-70126	233	16	and	and	CCONJ
bibechana-70126	233	17	q.	q.	PROPN
bibechana-70126	233	18	xu	xu	PROPN
bibechana-70126	233	19	.	.	PUNCT
bibechana-70126	234	1	cirsilineol	cirsilineol	PROPN
bibechana-70126	234	2	inhibits	inhibit	VERB
bibechana-70126	234	3	proliferation	proliferation	NOUN
bibechana-70126	234	4	of	of	ADP
bibechana-70126	234	5	cancer	cancer	NOUN
bibechana-70126	234	6	cells	cell	NOUN
bibechana-70126	234	7	by	by	ADP
bibechana-70126	234	8	inducing	induce	VERB
bibechana-70126	234	9	apoptosis	apoptosis	NOUN
bibechana-70126	234	10	via	via	ADP
bibechana-70126	234	11	mitochondrial	mitochondrial	ADJ
bibechana-70126	234	12	pathway	pathway	NOUN
bibechana-70126	234	13	.	.	PUNCT
bibechana-70126	235	1	j.	j.	PROPN
bibechana-70126	235	2	pharm	pharm	PROPN
bibechana-70126	235	3	.	.	PUNCT
bibechana-70126	236	1	pharmacol	pharmacol	PROPN
bibechana-70126	236	2	.	.	PUNCT
bibechana-70126	236	3	,	,	PUNCT
bibechana-70126	237	1	60:1523–1529	60:1523–1529	NUM
bibechana-70126	237	2	,	,	PUNCT
bibechana-70126	237	3	2008	2008	NUM
bibechana-70126	237	4	.	.	PUNCT
bibechana-70126	238	1	[	[	X
bibechana-70126	238	2	6	6	NUM
bibechana-70126	238	3	]	]	PUNCT
bibechana-70126	238	4	g.	g.	PROPN
bibechana-70126	238	5	pathak	pathak	PROPN
bibechana-70126	238	6	,	,	PUNCT
bibechana-70126	238	7	s.	s.	PROPN
bibechana-70126	238	8	singh	singh	PROPN
bibechana-70126	238	9	,	,	PUNCT
bibechana-70126	238	10	p.	p.	NOUN
bibechana-70126	238	11	kumari	kumari	PROPN
bibechana-70126	238	12	,	,	PUNCT
bibechana-70126	238	13	y.	y.	PROPN
bibechana-70126	238	14	hussain	hussain	PROPN
bibechana-70126	238	15	,	,	PUNCT
bibechana-70126	238	16	w.	w.	PROPN
bibechana-70126	238	17	raza	raza	PROPN
bibechana-70126	238	18	,	,	PUNCT
bibechana-70126	238	19	s.	s.	PROPN
bibechana-70126	238	20	luqman	luqman	PROPN
bibechana-70126	238	21	,	,	PUNCT
bibechana-70126	238	22	and	and	CCONJ
bibechana-70126	238	23	a.	a.	NOUN
bibechana-70126	238	24	meena	meena	PROPN
bibechana-70126	238	25	.	.	PUNCT
bibechana-70126	239	1	cirsilineol	cirsilineol	PROPN
bibechana-70126	239	2	inhibits	inhibit	VERB
bibechana-70126	239	3	proliferation	proliferation	NOUN
bibechana-70126	239	4	of	of	ADP
bibechana-70126	239	5	lung	lung	NOUN
bibechana-70126	239	6	squamous	squamous	ADJ
bibechana-70126	239	7	cell	cell	NOUN
bibechana-70126	239	8	carcinoma	carcinoma	NOUN
bibechana-70126	239	9	by	by	ADP
bibechana-70126	239	10	inducing	induce	VERB
bibechana-70126	239	11	ros	ro	NOUN
bibechana-70126	239	12	mediated	mediate	VERB
bibechana-70126	239	13	apoptosis	apoptosis	NOUN
bibechana-70126	239	14	.	.	PUNCT
bibechana-70126	240	1	food	food	NOUN
bibechana-70126	240	2	chem	chem	NOUN
bibechana-70126	240	3	.	.	PUNCT
bibechana-70126	241	1	toxicol	toxicol	PROPN
bibechana-70126	241	2	.	.	PUNCT
bibechana-70126	241	3	,	,	PUNCT
bibechana-70126	241	4	143:111550	143:111550	NUM
bibechana-70126	241	5	,	,	PUNCT
bibechana-70126	241	6	2020	2020	NUM
bibechana-70126	241	7	.	.	PUNCT
bibechana-70126	242	1	[	[	X
bibechana-70126	242	2	7	7	X
bibechana-70126	242	3	]	]	X
bibechana-70126	242	4	s.	s.	PROPN
bibechana-70126	242	5	wahab	wahab	PROPN
bibechana-70126	242	6	,	,	PUNCT
bibechana-70126	242	7	a.	a.	PROPN
bibechana-70126	242	8	alsayari	alsayari	PROPN
bibechana-70126	242	9	,	,	PUNCT
bibechana-70126	242	10	a.b	a.b	PROPN
bibechana-70126	242	11	.	.	PROPN
bibechana-70126	242	12	muhsinah	muhsinah	PROPN
bibechana-70126	242	13	,	,	PUNCT
bibechana-70126	242	14	i.	i.	PROPN
bibechana-70126	242	15	ahmad	ahmad	PROPN
bibechana-70126	242	16	,	,	PUNCT
bibechana-70126	242	17	md.s	md.s	PROPN
bibechana-70126	242	18	.	.	PUNCT
bibechana-70126	242	19	hussain	hussain	PROPN
bibechana-70126	242	20	,	,	PUNCT
bibechana-70126	242	21	and	and	CCONJ
bibechana-70126	242	22	j.	j.	PROPN
bibechana-70126	242	23	mallick	mallick	PROPN
bibechana-70126	242	24	.	.	PUNCT
bibechana-70126	243	1	cirsilineol	cirsilineol	PROPN
bibechana-70126	243	2	inhibits	inhibit	VERB
bibechana-70126	243	3	the	the	DET
bibechana-70126	243	4	proliferation	proliferation	NOUN
bibechana-70126	243	5	of	of	ADP
bibechana-70126	243	6	human	human	ADJ
bibechana-70126	243	7	prostate	prostate	NOUN
bibechana-70126	243	8	cancer	cancer	NOUN
bibechana-70126	243	9	cells	cell	NOUN
bibechana-70126	243	10	by	by	ADP
bibechana-70126	243	11	inducing	induce	VERB
bibechana-70126	243	12	reactive	reactive	ADJ
bibechana-70126	243	13	oxygen	oxygen	NOUN
bibechana-70126	243	14	species	specie	NOUN
bibechana-70126	243	15	(	(	PUNCT
bibechana-70126	243	16	ros	ros	PROPN
bibechana-70126	243	17	)	)	PUNCT
bibechana-70126	243	18	mediated	mediate	VERB
bibechana-70126	243	19	apoptosis	apoptosis	NOUN
bibechana-70126	243	20	.	.	PUNCT
bibechana-70126	244	1	evid	evid	PROPN
bibechana-70126	244	2	.	.	PUNCT
bibechana-70126	245	1	based	base	VERB
bibechana-70126	245	2	complement	complement	NOUN
bibechana-70126	245	3	.	.	PUNCT
bibechana-70126	246	1	altern	altern	PROPN
bibechana-70126	246	2	.	.	PUNCT
bibechana-70126	247	1	med	med	PROPN
bibechana-70126	247	2	.	.	PROPN
bibechana-70126	247	3	,	,	PUNCT
bibechana-70126	248	1	2022:1–7	2022:1–7	NUM
bibechana-70126	248	2	,	,	PUNCT
bibechana-70126	248	3	2022	2022	NUM
bibechana-70126	248	4	.	.	PUNCT
bibechana-70126	249	1	[	[	X
bibechana-70126	249	2	8	8	NUM
bibechana-70126	249	3	]	]	X
bibechana-70126	249	4	t.r	t.r	PROPN
bibechana-70126	249	5	.	.	PROPN
bibechana-70126	249	6	paneru	paneru	PROPN
bibechana-70126	249	7	,	,	PUNCT
bibechana-70126	249	8	m.k	m.k	PROPN
bibechana-70126	249	9	.	.	PUNCT
bibechana-70126	249	10	chaudhary	chaudhary	PROPN
bibechana-70126	249	11	,	,	PUNCT
bibechana-70126	249	12	p.	p.	PROPN
bibechana-70126	249	13	tandon	tandon	PROPN
bibechana-70126	249	14	,	,	PUNCT
bibechana-70126	249	15	t.	t.	PROPN
bibechana-70126	249	16	chaudhary	chaudhary	PROPN
bibechana-70126	249	17	,	,	PUNCT
bibechana-70126	249	18	and	and	CCONJ
bibechana-70126	249	19	b.d	b.d	PROPN
bibechana-70126	249	20	.	.	PROPN
bibechana-70126	249	21	joshi	joshi	PROPN
bibechana-70126	249	22	.	.	PUNCT
bibechana-70126	250	1	theoretical	theoretical	ADJ
bibechana-70126	250	2	study	study	NOUN
bibechana-70126	250	3	on	on	ADP
bibechana-70126	250	4	molecular	molecular	ADJ
bibechana-70126	250	5	stability	stability	NOUN
bibechana-70126	250	6	,	,	PUNCT
bibechana-70126	250	7	reactivity	reactivity	NOUN
bibechana-70126	250	8	,	,	PUNCT
bibechana-70126	250	9	and	and	CCONJ
bibechana-70126	250	10	drug	drug	NOUN
bibechana-70126	250	11	potential	potential	NOUN
bibechana-70126	250	12	of	of	ADP
bibechana-70126	250	13	cirsilineol	cirsilineol	NOUN
bibechana-70126	250	14	from	from	ADP
bibechana-70126	250	15	dft	dft	PROPN
bibechana-70126	250	16	and	and	CCONJ
bibechana-70126	250	17	molecular	molecular	ADJ
bibechana-70126	250	18	docking	docking	NOUN
bibechana-70126	250	19	methods	method	NOUN
bibechana-70126	250	20	.	.	PUNCT
bibechana-70126	251	1	chem	chem	NOUN
bibechana-70126	251	2	.	.	PUNCT
bibechana-70126	252	1	phys	phy	NOUN
bibechana-70126	252	2	.	.	PUNCT
bibechana-70126	253	1	impact	impact	NOUN
bibechana-70126	253	2	,	,	PUNCT
bibechana-70126	253	3	8:100641	8:100641	NUM
bibechana-70126	253	4	,	,	PUNCT
bibechana-70126	253	5	2024	2024	NUM
bibechana-70126	253	6	.	.	PUNCT
bibechana-70126	254	1	[	[	X
bibechana-70126	254	2	9	9	NUM
bibechana-70126	254	3	]	]	PUNCT
bibechana-70126	254	4	p.	p.	NOUN
bibechana-70126	254	5	hohenberg	hohenberg	PROPN
bibechana-70126	254	6	and	and	CCONJ
bibechana-70126	254	7	w.	w.	PROPN
bibechana-70126	254	8	kohn	kohn	PROPN
bibechana-70126	254	9	.	.	PUNCT
bibechana-70126	255	1	inhomogeneous	inhomogeneous	ADJ
bibechana-70126	255	2	electron	electron	NOUN
bibechana-70126	255	3	gas	gas	NOUN
bibechana-70126	255	4	.	.	PUNCT
bibechana-70126	256	1	phys	phy	NOUN
bibechana-70126	256	2	.	.	PUNCT
bibechana-70126	257	1	rev	rev	PROPN
bibechana-70126	257	2	.	.	PROPN
bibechana-70126	257	3	,	,	PUNCT
bibechana-70126	257	4	136	136	NUM
bibechana-70126	257	5	:	:	PUNCT
bibechana-70126	257	6	b864	b864	NUM
bibechana-70126	257	7	–	–	PUNCT
bibechana-70126	257	8	b871	b871	PROPN
bibechana-70126	257	9	,	,	PUNCT
bibechana-70126	257	10	1964	1964	NUM
bibechana-70126	257	11	.	.	PUNCT
bibechana-70126	258	1	[	[	X
bibechana-70126	258	2	10	10	NUM
bibechana-70126	258	3	]	]	X
bibechana-70126	258	4	m.j	m.j	PROPN
bibechana-70126	258	5	.	.	PROPN
bibechana-70126	258	6	frisch	frisch	PROPN
bibechana-70126	258	7	,	,	PUNCT
bibechana-70126	258	8	g.w	g.w	PROPN
bibechana-70126	258	9	.	.	PROPN
bibechana-70126	258	10	trucks	trucks	PROPN
bibechana-70126	258	11	,	,	PUNCT
bibechana-70126	258	12	h.b	h.b	PROPN
bibechana-70126	258	13	.	.	PROPN
bibechana-70126	258	14	schlegel	schlegel	PROPN
bibechana-70126	258	15	,	,	PUNCT
bibechana-70126	258	16	g.e	g.e	PROPN
bibechana-70126	258	17	.	.	PROPN
bibechana-70126	258	18	scuseria	scuseria	PROPN
bibechana-70126	258	19	,	,	PUNCT
bibechana-70126	258	20	m.a	m.a	PROPN
bibechana-70126	258	21	.	.	PROPN
bibechana-70126	258	22	robb	robb	PROPN
bibechana-70126	258	23	,	,	PUNCT
bibechana-70126	258	24	j.r	j.r	PROPN
bibechana-70126	258	25	.	.	PROPN
bibechana-70126	258	26	cheeseman	cheeseman	PROPN
bibechana-70126	258	27	,	,	PUNCT
bibechana-70126	258	28	g.	g.	PROPN
bibechana-70126	258	29	scalmani	scalmani	PROPN
bibechana-70126	258	30	,	,	PUNCT
bibechana-70126	258	31	v.	v.	PROPN
bibechana-70126	258	32	barone	barone	PROPN
bibechana-70126	258	33	,	,	PUNCT
bibechana-70126	258	34	b.	b.	PROPN
bibechana-70126	258	35	mennucci	mennucci	PROPN
bibechana-70126	258	36	,	,	PUNCT
bibechana-70126	258	37	g.a	g.a	PROPN
bibechana-70126	258	38	.	.	PROPN
bibechana-70126	258	39	petersson	petersson	PROPN
bibechana-70126	258	40	,	,	PUNCT
bibechana-70126	258	41	et	et	PROPN
bibechana-70126	258	42	al	al	PROPN
bibechana-70126	258	43	.	.	PUNCT
bibechana-70126	259	1	gaussian	gaussian	PROPN
bibechana-70126	259	2	09	09	NUM
bibechana-70126	259	3	,	,	PUNCT
bibechana-70126	259	4	revision	revision	NOUN
bibechana-70126	259	5	a.02	a.02	PROPN
bibechana-70126	259	6	.	.	PUNCT
bibechana-70126	260	1	gaussian	gaussian	PROPN
bibechana-70126	260	2	inc	inc	PROPN
bibechana-70126	260	3	.	.	PROPN
bibechana-70126	260	4	,	,	PUNCT
bibechana-70126	260	5	wallingford	wallingford	PROPN
bibechana-70126	260	6	ct	ct	PROPN
bibechana-70126	260	7	,	,	PUNCT
bibechana-70126	260	8	2009	2009	NUM
bibechana-70126	260	9	.	.	PUNCT
bibechana-70126	261	1	[	[	X
bibechana-70126	261	2	11	11	NUM
bibechana-70126	261	3	]	]	X
bibechana-70126	261	4	c.	c.	PROPN
bibechana-70126	261	5	lee	lee	PROPN
bibechana-70126	261	6	,	,	PUNCT
bibechana-70126	261	7	w.	w.	PROPN
bibechana-70126	261	8	yang	yang	PROPN
bibechana-70126	261	9	,	,	PUNCT
bibechana-70126	261	10	and	and	CCONJ
bibechana-70126	261	11	r.g	r.g	PROPN
bibechana-70126	261	12	.	.	PROPN
bibechana-70126	261	13	parr	parr	PROPN
bibechana-70126	261	14	.	.	PUNCT
bibechana-70126	262	1	development	development	NOUN
bibechana-70126	262	2	of	of	ADP
bibechana-70126	262	3	the	the	DET
bibechana-70126	262	4	colle	colle	NOUN
bibechana-70126	262	5	-	-	PUNCT
bibechana-70126	262	6	salvetti	salvetti	VERB
bibechana-70126	262	7	correlation	correlation	NOUN
bibechana-70126	262	8	-	-	PUNCT
bibechana-70126	262	9	energy	energy	NOUN
bibechana-70126	262	10	formula	formula	NOUN
bibechana-70126	262	11	into	into	ADP
bibechana-70126	262	12	a	a	DET
bibechana-70126	262	13	functional	functional	NOUN
bibechana-70126	262	14	of	of	ADP
bibechana-70126	262	15	the	the	DET
bibechana-70126	262	16	electron	electron	NOUN
bibechana-70126	262	17	density	density	NOUN
bibechana-70126	262	18	.	.	PUNCT
bibechana-70126	263	1	phys	phy	NOUN
bibechana-70126	263	2	.	.	PUNCT
bibechana-70126	264	1	rev	rev	PROPN
bibechana-70126	264	2	.	.	PROPN
bibechana-70126	265	1	b	b	X
bibechana-70126	265	2	,	,	PUNCT
bibechana-70126	265	3	37:785–789	37:785–789	PROPN
bibechana-70126	265	4	,	,	PUNCT
bibechana-70126	265	5	1988	1988	NUM
bibechana-70126	265	6	.	.	PUNCT
bibechana-70126	266	1	[	[	X
bibechana-70126	266	2	12	12	NUM
bibechana-70126	266	3	]	]	X
bibechana-70126	266	4	a.d	a.d	PROPN
bibechana-70126	266	5	.	.	PROPN
bibechana-70126	266	6	becke	becke	PROPN
bibechana-70126	266	7	.	.	PUNCT
bibechana-70126	267	1	density	density	NOUN
bibechana-70126	267	2	-	-	PUNCT
bibechana-70126	267	3	functional	functional	ADJ
bibechana-70126	267	4	thermochemistry	thermochemistry	NOUN
bibechana-70126	267	5	.	.	PUNCT
bibechana-70126	268	1	iii	iii	X
bibechana-70126	268	2	.	.	PUNCT
bibechana-70126	269	1	the	the	DET
bibechana-70126	269	2	role	role	NOUN
bibechana-70126	269	3	of	of	ADP
bibechana-70126	269	4	exact	exact	ADJ
bibechana-70126	269	5	exchange	exchange	NOUN
bibechana-70126	269	6	.	.	PUNCT
bibechana-70126	270	1	j.	j.	PROPN
bibechana-70126	270	2	chem	chem	PROPN
bibechana-70126	270	3	.	.	PUNCT
bibechana-70126	271	1	phys	phy	NOUN
bibechana-70126	271	2	.	.	PUNCT
bibechana-70126	271	3	,	,	PUNCT
bibechana-70126	271	4	98:5648–5652	98:5648–5652	NUM
bibechana-70126	271	5	,	,	PUNCT
bibechana-70126	271	6	1993	1993	NUM
bibechana-70126	271	7	.	.	PUNCT
bibechana-70126	272	1	[	[	X
bibechana-70126	272	2	13	13	NUM
bibechana-70126	272	3	]	]	X
bibechana-70126	272	4	t.h	t.h	NOUN
bibechana-70126	272	5	.	.	PUNCT
bibechana-70126	272	6	dunning	dun	VERB
bibechana-70126	272	7	.	.	PUNCT
bibechana-70126	273	1	gaussian	gaussian	ADJ
bibechana-70126	273	2	basis	basis	NOUN
bibechana-70126	273	3	sets	set	NOUN
bibechana-70126	273	4	for	for	ADP
bibechana-70126	273	5	use	use	NOUN
bibechana-70126	273	6	in	in	ADP
bibechana-70126	273	7	correlated	correlate	VERB
bibechana-70126	273	8	molecular	molecular	ADJ
bibechana-70126	273	9	calculations	calculation	NOUN
bibechana-70126	273	10	.	.	PUNCT
bibechana-70126	274	1	i.	i.	NOUN
bibechana-70126	274	2	the	the	DET
bibechana-70126	274	3	atoms	atom	NOUN
bibechana-70126	274	4	boron	boron	NOUN
bibechana-70126	274	5	through	through	ADP
bibechana-70126	274	6	neon	neon	NOUN
bibechana-70126	274	7	and	and	CCONJ
bibechana-70126	274	8	hydrogen	hydrogen	NOUN
bibechana-70126	274	9	.	.	PUNCT
bibechana-70126	275	1	j.	j.	PROPN
bibechana-70126	275	2	chem	chem	PROPN
bibechana-70126	275	3	.	.	PUNCT
bibechana-70126	276	1	phys	phy	NOUN
bibechana-70126	276	2	.	.	PUNCT
bibechana-70126	276	3	,	,	PUNCT
bibechana-70126	276	4	90:1007–1023	90:1007–1023	NUM
bibechana-70126	276	5	,	,	PUNCT
bibechana-70126	276	6	1989	1989	NUM
bibechana-70126	276	7	.	.	PUNCT
bibechana-70126	277	1	[	[	X
bibechana-70126	277	2	14	14	NUM
bibechana-70126	277	3	]	]	PUNCT
bibechana-70126	277	4	a.	a.	NOUN
bibechana-70126	277	5	frisch	frisch	PROPN
bibechana-70126	277	6	,	,	PUNCT
bibechana-70126	277	7	a.b	a.b	PROPN
bibechana-70126	277	8	.	.	PROPN
bibechana-70126	277	9	nielson	nielson	PROPN
bibechana-70126	277	10	,	,	PUNCT
bibechana-70126	277	11	and	and	CCONJ
bibechana-70126	277	12	a.j	a.j	PROPN
bibechana-70126	277	13	.	.	PROPN
bibechana-70126	277	14	holder	holder	PROPN
bibechana-70126	277	15	.	.	PUNCT
bibechana-70126	278	1	gaussview	gaussview	NOUN
bibechana-70126	278	2	user	user	NOUN
bibechana-70126	278	3	manual	manual	NOUN
bibechana-70126	278	4	.	.	PUNCT
bibechana-70126	279	1	gaussian	gaussian	PROPN
bibechana-70126	279	2	inc	inc	PROPN
bibechana-70126	279	3	.	.	PROPN
bibechana-70126	279	4	,	,	PUNCT
bibechana-70126	279	5	pittsburgh	pittsburgh	PROPN
bibechana-70126	279	6	,	,	PUNCT
bibechana-70126	279	7	pa	pa	PROPN
bibechana-70126	279	8	,	,	PUNCT
bibechana-70126	279	9	2005	2005	NUM
bibechana-70126	279	10	.	.	PUNCT
bibechana-70126	280	1	tirth	tirth	PROPN
bibechana-70126	280	2	raj	raj	PROPN
bibechana-70126	280	3	paneru	paneru	PROPN
bibechana-70126	280	4	et	et	PROPN
bibechana-70126	280	5	al./	al./	ADV
bibechana-70126	280	6	bibechana	bibechana	PROPN
bibechana-70126	280	7	22	22	NUM
bibechana-70126	280	8	(	(	PUNCT
bibechana-70126	280	9	2025	2025	NUM
bibechana-70126	280	10	)	)	PUNCT
bibechana-70126	280	11	1	1	NUM
bibechana-70126	280	12	-	-	SYM
bibechana-70126	280	13	14	14	NUM
bibechana-70126	280	14	13	13	NUM
bibechana-70126	280	15	[	[	X
bibechana-70126	280	16	15	15	NUM
bibechana-70126	280	17	]	]	X
bibechana-70126	280	18	g.	g.	PROPN
bibechana-70126	280	19	zhurko	zhurko	PROPN
bibechana-70126	280	20	and	and	CCONJ
bibechana-70126	280	21	d.	d.	PROPN
bibechana-70126	280	22	zhurko	zhurko	PROPN
bibechana-70126	280	23	.	.	PUNCT
bibechana-70126	281	1	chemcraft	chemcraft	PROPN
bibechana-70126	281	2	graphical	graphical	ADJ
bibechana-70126	281	3	program	program	NOUN
bibechana-70126	281	4	for	for	ADP
bibechana-70126	281	5	visualization	visualization	NOUN
bibechana-70126	281	6	of	of	ADP
bibechana-70126	281	7	computed	compute	VERB
bibechana-70126	281	8	results	result	NOUN
bibechana-70126	281	9	,	,	PUNCT
bibechana-70126	281	10	2015	2015	NUM
bibechana-70126	281	11	.	.	PUNCT
bibechana-70126	282	1	[	[	X
bibechana-70126	282	2	16	16	NUM
bibechana-70126	282	3	]	]	PUNCT
bibechana-70126	282	4	t.	t.	PROPN
bibechana-70126	282	5	lu	lu	PROPN
bibechana-70126	282	6	and	and	CCONJ
bibechana-70126	282	7	f.	f.	PROPN
bibechana-70126	282	8	chen	chen	PROPN
bibechana-70126	282	9	.	.	PUNCT
bibechana-70126	283	1	multiwfn	multiwfn	PROPN
bibechana-70126	283	2	:	:	PUNCT
bibechana-70126	283	3	a	a	DET
bibechana-70126	283	4	multifunctional	multifunctional	ADJ
bibechana-70126	283	5	wavefunction	wavefunction	NOUN
bibechana-70126	283	6	analyzer	analyzer	NOUN
bibechana-70126	283	7	.	.	PUNCT
bibechana-70126	284	1	j.	j.	PROPN
bibechana-70126	284	2	comput	comput	PROPN
bibechana-70126	284	3	.	.	PUNCT
bibechana-70126	285	1	chem	chem	NOUN
bibechana-70126	285	2	.	.	PUNCT
bibechana-70126	285	3	,	,	PUNCT
bibechana-70126	285	4	33:580–592	33:580–592	NUM
bibechana-70126	285	5	,	,	PUNCT
bibechana-70126	285	6	2012	2012	NUM
bibechana-70126	285	7	.	.	PUNCT
bibechana-70126	286	1	[	[	X
bibechana-70126	286	2	17	17	NUM
bibechana-70126	286	3	]	]	X
bibechana-70126	286	4	w.	w.	PROPN
bibechana-70126	286	5	humphrey	humphrey	PROPN
bibechana-70126	286	6	,	,	PUNCT
bibechana-70126	286	7	a.	a.	PROPN
bibechana-70126	286	8	dalke	dalke	PROPN
bibechana-70126	286	9	,	,	PUNCT
bibechana-70126	286	10	and	and	CCONJ
bibechana-70126	286	11	k.	k.	PROPN
bibechana-70126	286	12	schulten	schulten	PROPN
bibechana-70126	286	13	.	.	PUNCT
bibechana-70126	287	1	vmd	vmd	PROPN
bibechana-70126	287	2	:	:	PUNCT
bibechana-70126	287	3	visual	visual	ADJ
bibechana-70126	287	4	molecular	molecular	ADJ
bibechana-70126	287	5	dynamics	dynamic	NOUN
bibechana-70126	287	6	.	.	PUNCT
bibechana-70126	288	1	j.	j.	PROPN
bibechana-70126	288	2	mol	mol	PROPN
bibechana-70126	288	3	.	.	PROPN
bibechana-70126	288	4	graph	graph	NOUN
bibechana-70126	288	5	.	.	PROPN
bibechana-70126	288	6	,	,	PUNCT
bibechana-70126	288	7	14:33–38	14:33–38	NUM
bibechana-70126	288	8	,	,	PUNCT
bibechana-70126	288	9	1996	1996	NUM
bibechana-70126	288	10	.	.	PUNCT
bibechana-70126	289	1	[	[	X
bibechana-70126	289	2	18	18	NUM
bibechana-70126	289	3	]	]	X
bibechana-70126	289	4	r.e	r.e	PROPN
bibechana-70126	289	5	.	.	PROPN
bibechana-70126	289	6	stratmann	stratmann	PROPN
bibechana-70126	289	7	,	,	PUNCT
bibechana-70126	289	8	g.e	g.e	PROPN
bibechana-70126	289	9	.	.	PROPN
bibechana-70126	289	10	scuseria	scuseria	PROPN
bibechana-70126	289	11	,	,	PUNCT
bibechana-70126	289	12	and	and	CCONJ
bibechana-70126	289	13	m.j	m.j	PROPN
bibechana-70126	289	14	.	.	PROPN
bibechana-70126	289	15	frisch	frisch	PROPN
bibechana-70126	289	16	.	.	PUNCT
bibechana-70126	290	1	an	an	DET
bibechana-70126	290	2	efficient	efficient	ADJ
bibechana-70126	290	3	implementation	implementation	NOUN
bibechana-70126	290	4	of	of	ADP
bibechana-70126	290	5	timedependent	timedependent	NOUN
bibechana-70126	290	6	density	density	NOUN
bibechana-70126	290	7	-	-	PUNCT
bibechana-70126	290	8	functional	functional	ADJ
bibechana-70126	290	9	theory	theory	NOUN
bibechana-70126	290	10	for	for	ADP
bibechana-70126	290	11	the	the	DET
bibechana-70126	290	12	calculation	calculation	NOUN
bibechana-70126	290	13	of	of	ADP
bibechana-70126	290	14	excitation	excitation	NOUN
bibechana-70126	290	15	energies	energy	NOUN
bibechana-70126	290	16	of	of	ADP
bibechana-70126	290	17	large	large	ADJ
bibechana-70126	290	18	molecules	molecule	NOUN
bibechana-70126	290	19	.	.	PUNCT
bibechana-70126	291	1	j.	j.	PROPN
bibechana-70126	291	2	chem	chem	PROPN
bibechana-70126	291	3	.	.	PUNCT
bibechana-70126	292	1	phys	phy	NOUN
bibechana-70126	292	2	.	.	PUNCT
bibechana-70126	292	3	,	,	PUNCT
bibechana-70126	292	4	109:8218–8224	109:8218–8224	NUM
bibechana-70126	292	5	,	,	PUNCT
bibechana-70126	292	6	1998	1998	NUM
bibechana-70126	292	7	.	.	PUNCT
bibechana-70126	293	1	[	[	X
bibechana-70126	293	2	19	19	NUM
bibechana-70126	293	3	]	]	PUNCT
bibechana-70126	293	4	m.	m.	NOUN
bibechana-70126	293	5	cossi	cossi	PROPN
bibechana-70126	293	6	,	,	PUNCT
bibechana-70126	293	7	g.	g.	PROPN
bibechana-70126	293	8	scalmani	scalmani	PROPN
bibechana-70126	293	9	,	,	PUNCT
bibechana-70126	293	10	n.	n.	PROPN
bibechana-70126	293	11	rega	rega	PROPN
bibechana-70126	293	12	,	,	PUNCT
bibechana-70126	293	13	and	and	CCONJ
bibechana-70126	293	14	v.	v.	ADP
bibechana-70126	293	15	barone	barone	PROPN
bibechana-70126	293	16	.	.	PUNCT
bibechana-70126	294	1	new	new	ADJ
bibechana-70126	294	2	developments	development	NOUN
bibechana-70126	294	3	in	in	ADP
bibechana-70126	294	4	the	the	DET
bibechana-70126	294	5	polarizable	polarizable	ADJ
bibechana-70126	294	6	continuum	continuum	ADJ
bibechana-70126	294	7	model	model	NOUN
bibechana-70126	294	8	for	for	ADP
bibechana-70126	294	9	quantum	quantum	NOUN
bibechana-70126	294	10	mechanical	mechanical	ADJ
bibechana-70126	294	11	and	and	CCONJ
bibechana-70126	294	12	classical	classical	ADJ
bibechana-70126	294	13	calculations	calculation	NOUN
bibechana-70126	294	14	on	on	ADP
bibechana-70126	294	15	molecules	molecule	NOUN
bibechana-70126	294	16	in	in	ADP
bibechana-70126	294	17	solution	solution	NOUN
bibechana-70126	294	18	.	.	PUNCT
bibechana-70126	295	1	j.	j.	PROPN
bibechana-70126	295	2	chem	chem	PROPN
bibechana-70126	295	3	.	.	PUNCT
bibechana-70126	296	1	phys	phy	NOUN
bibechana-70126	296	2	.	.	PUNCT
bibechana-70126	296	3	,	,	PUNCT
bibechana-70126	296	4	117:43–54	117:43–54	NUM
bibechana-70126	296	5	,	,	PUNCT
bibechana-70126	296	6	2002	2002	NUM
bibechana-70126	296	7	.	.	PUNCT
bibechana-70126	297	1	[	[	X
bibechana-70126	297	2	20	20	NUM
bibechana-70126	297	3	]	]	SYM
bibechana-70126	297	4	n.m	n.m	PROPN
bibechana-70126	297	5	.	.	PROPN
bibechana-70126	297	6	o’boyle	o’boyle	PROPN
bibechana-70126	297	7	,	,	PUNCT
bibechana-70126	297	8	a.l	a.l	PROPN
bibechana-70126	297	9	.	.	PROPN
bibechana-70126	297	10	tenderholt	tenderholt	PROPN
bibechana-70126	297	11	,	,	PUNCT
bibechana-70126	297	12	and	and	CCONJ
bibechana-70126	297	13	k.m	k.m	PROPN
bibechana-70126	297	14	.	.	PROPN
bibechana-70126	297	15	langner	langner	PROPN
bibechana-70126	297	16	.	.	PUNCT
bibechana-70126	298	1	cclib	cclib	ADJ
bibechana-70126	298	2	:	:	PUNCT
bibechana-70126	298	3	a	a	DET
bibechana-70126	298	4	library	library	NOUN
bibechana-70126	298	5	for	for	ADP
bibechana-70126	298	6	packageindependent	packageindependent	NOUN
bibechana-70126	298	7	computational	computational	ADJ
bibechana-70126	298	8	chemistry	chemistry	NOUN
bibechana-70126	298	9	algorithms	algorithm	NOUN
bibechana-70126	298	10	.	.	PUNCT
bibechana-70126	299	1	j.	j.	PROPN
bibechana-70126	299	2	comput	comput	PROPN
bibechana-70126	299	3	.	.	PUNCT
bibechana-70126	300	1	chem	chem	PROPN
bibechana-70126	300	2	.	.	PUNCT
bibechana-70126	300	3	,	,	PUNCT
bibechana-70126	301	1	29:839–845	29:839–845	PROPN
bibechana-70126	301	2	,	,	PUNCT
bibechana-70126	301	3	2008	2008	NUM
bibechana-70126	301	4	.	.	PUNCT
bibechana-70126	302	1	[	[	X
bibechana-70126	302	2	21	21	NUM
bibechana-70126	302	3	]	]	X
bibechana-70126	302	4	a.	a.	NOUN
bibechana-70126	302	5	daina	daina	PROPN
bibechana-70126	302	6	,	,	PUNCT
bibechana-70126	302	7	o.	o.	PROPN
bibechana-70126	302	8	michielin	michielin	PROPN
bibechana-70126	302	9	,	,	PUNCT
bibechana-70126	302	10	and	and	CCONJ
bibechana-70126	302	11	v.	v.	ADP
bibechana-70126	302	12	zoete	zoete	NOUN
bibechana-70126	302	13	.	.	PUNCT
bibechana-70126	303	1	swissadme	swissadme	PROPN
bibechana-70126	303	2	:	:	PUNCT
bibechana-70126	303	3	a	a	DET
bibechana-70126	303	4	free	free	ADJ
bibechana-70126	303	5	web	web	NOUN
bibechana-70126	303	6	tool	tool	NOUN
bibechana-70126	303	7	to	to	PART
bibechana-70126	303	8	evaluate	evaluate	VERB
bibechana-70126	303	9	pharmacokinetics	pharmacokinetic	NOUN
bibechana-70126	303	10	,	,	PUNCT
bibechana-70126	303	11	drug	drug	NOUN
bibechana-70126	303	12	-	-	PUNCT
bibechana-70126	303	13	likeness	likeness	NOUN
bibechana-70126	303	14	and	and	CCONJ
bibechana-70126	303	15	medicinal	medicinal	ADJ
bibechana-70126	303	16	chemistry	chemistry	NOUN
bibechana-70126	303	17	friendliness	friendliness	NOUN
bibechana-70126	303	18	of	of	ADP
bibechana-70126	303	19	small	small	ADJ
bibechana-70126	303	20	molecules	molecule	NOUN
bibechana-70126	303	21	.	.	PUNCT
bibechana-70126	304	1	sci	sci	PROPN
bibechana-70126	304	2	.	.	PROPN
bibechana-70126	304	3	rep	rep	PROPN
bibechana-70126	304	4	.	.	PROPN
bibechana-70126	304	5	,	,	PUNCT
bibechana-70126	304	6	7:42717	7:42717	NUM
bibechana-70126	304	7	,	,	PUNCT
bibechana-70126	304	8	2017	2017	NUM
bibechana-70126	304	9	.	.	PUNCT
bibechana-70126	305	1	[	[	X
bibechana-70126	305	2	22	22	NUM
bibechana-70126	305	3	]	]	PUNCT
bibechana-70126	305	4	d.e.v	d.e.v	NOUN
bibechana-70126	305	5	.	.	PUNCT
bibechana-70126	305	6	pires	pires	PROPN
bibechana-70126	305	7	,	,	PUNCT
bibechana-70126	305	8	t.l	t.l	PROPN
bibechana-70126	305	9	.	.	PROPN
bibechana-70126	305	10	blundell	blundell	PROPN
bibechana-70126	305	11	,	,	PUNCT
bibechana-70126	305	12	and	and	CCONJ
bibechana-70126	305	13	d.b	d.b	PROPN
bibechana-70126	305	14	.	.	PROPN
bibechana-70126	305	15	ascher	ascher	PROPN
bibechana-70126	305	16	.	.	PUNCT
bibechana-70126	306	1	pkcsm	pkcsm	NOUN
bibechana-70126	306	2	:	:	PUNCT
bibechana-70126	306	3	predicting	predict	VERB
bibechana-70126	306	4	small	small	ADJ
bibechana-70126	306	5	-	-	PUNCT
bibechana-70126	306	6	molecule	molecule	NOUN
bibechana-70126	306	7	pharmacokinetic	pharmacokinetic	ADJ
bibechana-70126	306	8	and	and	CCONJ
bibechana-70126	306	9	toxicity	toxicity	NOUN
bibechana-70126	306	10	properties	property	NOUN
bibechana-70126	306	11	using	use	VERB
bibechana-70126	306	12	graph	graph	NOUN
bibechana-70126	306	13	-	-	PUNCT
bibechana-70126	306	14	based	base	VERB
bibechana-70126	306	15	signatures	signature	NOUN
bibechana-70126	306	16	.	.	PUNCT
bibechana-70126	307	1	j.	j.	PROPN
bibechana-70126	307	2	med	med	PROPN
bibechana-70126	307	3	.	.	PROPN
bibechana-70126	307	4	chem	chem	PROPN
bibechana-70126	307	5	.	.	PUNCT
bibechana-70126	307	6	,	,	PUNCT
bibechana-70126	308	1	58:4066–4072	58:4066–4072	NUM
bibechana-70126	308	2	,	,	PUNCT
bibechana-70126	308	3	2015	2015	NUM
bibechana-70126	308	4	.	.	PUNCT
bibechana-70126	309	1	[	[	X
bibechana-70126	309	2	23	23	NUM
bibechana-70126	309	3	]	]	X
bibechana-70126	309	4	o.	o.	PROPN
bibechana-70126	309	5	trott	trott	PROPN
bibechana-70126	309	6	and	and	CCONJ
bibechana-70126	309	7	a.j	a.j	PROPN
bibechana-70126	309	8	.	.	PROPN
bibechana-70126	309	9	olson	olson	PROPN
bibechana-70126	309	10	.	.	PUNCT
bibechana-70126	310	1	autodock	autodock	PROPN
bibechana-70126	310	2	vina	vina	PROPN
bibechana-70126	310	3	:	:	PUNCT
bibechana-70126	310	4	improving	improve	VERB
bibechana-70126	310	5	the	the	DET
bibechana-70126	310	6	speed	speed	NOUN
bibechana-70126	310	7	and	and	CCONJ
bibechana-70126	310	8	accuracy	accuracy	NOUN
bibechana-70126	310	9	of	of	ADP
bibechana-70126	310	10	docking	docking	NOUN
bibechana-70126	310	11	with	with	ADP
bibechana-70126	310	12	a	a	DET
bibechana-70126	310	13	new	new	ADJ
bibechana-70126	310	14	scoring	scoring	NOUN
bibechana-70126	310	15	function	function	NOUN
bibechana-70126	310	16	,	,	PUNCT
bibechana-70126	310	17	efficient	efficient	ADJ
bibechana-70126	310	18	optimization	optimization	NOUN
bibechana-70126	310	19	,	,	PUNCT
bibechana-70126	310	20	and	and	CCONJ
bibechana-70126	310	21	multithreading	multithreading	NOUN
bibechana-70126	310	22	.	.	PUNCT
bibechana-70126	311	1	j.	j.	PROPN
bibechana-70126	311	2	comput	comput	PROPN
bibechana-70126	311	3	.	.	PUNCT
bibechana-70126	312	1	chem	chem	NOUN
bibechana-70126	312	2	.	.	PUNCT
bibechana-70126	312	3	,	,	PUNCT
bibechana-70126	313	1	31:455–461	31:455–461	NUM
bibechana-70126	313	2	,	,	PUNCT
bibechana-70126	313	3	2010	2010	NUM
bibechana-70126	313	4	.	.	PUNCT
bibechana-70126	314	1	[	[	X
bibechana-70126	314	2	24	24	NUM
bibechana-70126	314	3	]	]	X
bibechana-70126	314	4	accelrys	accelrys	PROPN
bibechana-70126	314	5	inc	inc	PROPN
bibechana-70126	314	6	.	.	PROPN
bibechana-70126	314	7	,	,	PUNCT
bibechana-70126	314	8	san	san	PROPN
bibechana-70126	314	9	diego	diego	PROPN
bibechana-70126	314	10	.	.	PUNCT
bibechana-70126	315	1	discovery	discovery	PROPN
bibechana-70126	315	2	studio	studio	PROPN
bibechana-70126	315	3	4.5	4.5	NUM
bibechana-70126	315	4	guide	guide	NOUN
bibechana-70126	315	5	,	,	PUNCT
bibechana-70126	315	6	2009	2009	NUM
bibechana-70126	315	7	.	.	PUNCT
bibechana-70126	316	1	[	[	X
bibechana-70126	316	2	25	25	NUM
bibechana-70126	316	3	]	]	PUNCT
bibechana-70126	316	4	pubchem	pubchem	NOUN
bibechana-70126	316	5	compound	compound	NOUN
bibechana-70126	316	6	summary	summary	NOUN
bibechana-70126	316	7	for	for	ADP
bibechana-70126	316	8	cid	cid	NOUN
bibechana-70126	316	9	162464	162464	NUM
bibechana-70126	316	10	,	,	PUNCT
bibechana-70126	316	11	2004	2004	NUM
bibechana-70126	316	12	.	.	PUNCT
bibechana-70126	317	1	[	[	X
bibechana-70126	317	2	26	26	NUM
bibechana-70126	317	3	]	]	X
bibechana-70126	317	4	m.p	m.p	PROPN
bibechana-70126	317	5	.	.	PROPN
bibechana-70126	317	6	andersson	andersson	PROPN
bibechana-70126	317	7	and	and	CCONJ
bibechana-70126	317	8	p.	p.	PROPN
bibechana-70126	317	9	uvdal	uvdal	NOUN
bibechana-70126	317	10	.	.	PUNCT
bibechana-70126	318	1	new	new	ADJ
bibechana-70126	318	2	scale	scale	NOUN
bibechana-70126	318	3	factors	factor	NOUN
bibechana-70126	318	4	for	for	ADP
bibechana-70126	318	5	harmonic	harmonic	ADJ
bibechana-70126	318	6	vibrational	vibrational	ADJ
bibechana-70126	318	7	frequencies	frequency	NOUN
bibechana-70126	318	8	using	use	VERB
bibechana-70126	318	9	the	the	DET
bibechana-70126	318	10	b3lyp	b3lyp	NOUN
bibechana-70126	318	11	density	density	NOUN
bibechana-70126	318	12	functional	functional	ADJ
bibechana-70126	318	13	method	method	NOUN
bibechana-70126	318	14	with	with	ADP
bibechana-70126	318	15	the	the	DET
bibechana-70126	318	16	triplebasis	triplebasis	NOUN
bibechana-70126	318	17	set	set	VERB
bibechana-70126	318	18	6311+g(d	6311+g(d	PROPN
bibechana-70126	318	19	,	,	PUNCT
bibechana-70126	318	20	p	p	NOUN
bibechana-70126	318	21	)	)	PUNCT
bibechana-70126	318	22	.	.	PUNCT
bibechana-70126	319	1	j.	j.	PROPN
bibechana-70126	319	2	phys	phys	PROPN
bibechana-70126	319	3	.	.	PUNCT
bibechana-70126	320	1	chem	chem	PROPN
bibechana-70126	320	2	.	.	PUNCT
bibechana-70126	321	1	a	a	DET
bibechana-70126	321	2	,	,	PUNCT
bibechana-70126	321	3	109(14):2937–2941	109(14):2937–2941	NUM
bibechana-70126	321	4	,	,	PUNCT
bibechana-70126	321	5	2005	2005	NUM
bibechana-70126	321	6	.	.	PUNCT
bibechana-70126	322	1	[	[	X
bibechana-70126	322	2	27	27	NUM
bibechana-70126	322	3	]	]	X
bibechana-70126	322	4	j.m.l	j.m.l	PROPN
bibechana-70126	322	5	.	.	PUNCT
bibechana-70126	323	1	martin	martin	PROPN
bibechana-70126	323	2	and	and	CCONJ
bibechana-70126	323	3	c.	c.	PROPN
bibechana-70126	323	4	van	van	PROPN
bibechana-70126	323	5	aslenoy	aslenoy	PROPN
bibechana-70126	323	6	.	.	PUNCT
bibechana-70126	324	1	gar2ped	gar2pe	VERB
bibechana-70126	324	2	,	,	PUNCT
bibechana-70126	324	3	a	a	DET
bibechana-70126	324	4	program	program	NOUN
bibechana-70126	324	5	to	to	PART
bibechana-70126	324	6	obtain	obtain	VERB
bibechana-70126	324	7	potential	potential	ADJ
bibechana-70126	324	8	energy	energy	NOUN
bibechana-70126	324	9	distribution	distribution	NOUN
bibechana-70126	324	10	from	from	ADP
bibechana-70126	324	11	gaussian	gaussian	ADJ
bibechana-70126	324	12	archive	archive	NOUN
bibechana-70126	324	13	record	record	NOUN
bibechana-70126	324	14	,	,	PUNCT
bibechana-70126	324	15	2007	2007	NUM
bibechana-70126	324	16	.	.	PUNCT
bibechana-70126	325	1	university	university	NOUN
bibechana-70126	325	2	of	of	ADP
bibechana-70126	325	3	antwerp	antwerp	PROPN
bibechana-70126	325	4	,	,	PUNCT
bibechana-70126	325	5	belgium	belgium	PROPN
bibechana-70126	325	6	.	.	PUNCT
bibechana-70126	326	1	[	[	X
bibechana-70126	326	2	28	28	NUM
bibechana-70126	326	3	]	]	X
bibechana-70126	326	4	p.	p.	NOUN
bibechana-70126	326	5	pulay	pulay	NOUN
bibechana-70126	326	6	,	,	PUNCT
bibechana-70126	326	7	g.	g.	PROPN
bibechana-70126	326	8	fogarasi	fogarasi	PROPN
bibechana-70126	326	9	,	,	PUNCT
bibechana-70126	326	10	f.	f.	PROPN
bibechana-70126	326	11	pang	pang	PROPN
bibechana-70126	326	12	,	,	PUNCT
bibechana-70126	326	13	and	and	CCONJ
bibechana-70126	326	14	j.e	j.e	PROPN
bibechana-70126	326	15	.	.	PROPN
bibechana-70126	326	16	boggs	boggs	PROPN
bibechana-70126	326	17	.	.	PUNCT
bibechana-70126	327	1	systematic	systematic	PROPN
bibechana-70126	327	2	ab	ab	PROPN
bibechana-70126	327	3	initio	initio	PROPN
bibechana-70126	327	4	gradient	gradient	NOUN
bibechana-70126	327	5	calculation	calculation	NOUN
bibechana-70126	327	6	of	of	ADP
bibechana-70126	327	7	molecular	molecular	ADJ
bibechana-70126	327	8	geometries	geometry	NOUN
bibechana-70126	327	9	,	,	PUNCT
bibechana-70126	327	10	force	force	NOUN
bibechana-70126	327	11	constants	constant	NOUN
bibechana-70126	327	12	,	,	PUNCT
bibechana-70126	327	13	and	and	CCONJ
bibechana-70126	327	14	dipole	dipole	NOUN
bibechana-70126	327	15	moment	moment	NOUN
bibechana-70126	327	16	derivatives	derivative	NOUN
bibechana-70126	327	17	.	.	PUNCT
bibechana-70126	328	1	j.	j.	PROPN
bibechana-70126	328	2	am	am	PROPN
bibechana-70126	328	3	.	.	PUNCT
bibechana-70126	329	1	chem	chem	NOUN
bibechana-70126	329	2	.	.	PUNCT
bibechana-70126	330	1	soc	soc	PROPN
bibechana-70126	330	2	.	.	PUNCT
bibechana-70126	330	3	,	,	PUNCT
bibechana-70126	330	4	101(9):2550–2560	101(9):2550–2560	PROPN
bibechana-70126	330	5	,	,	PUNCT
bibechana-70126	330	6	1979	1979	NUM
bibechana-70126	330	7	.	.	PUNCT
bibechana-70126	331	1	[	[	X
bibechana-70126	331	2	29	29	NUM
bibechana-70126	331	3	]	]	X
bibechana-70126	331	4	p.l	p.l	PROPN
bibechana-70126	331	5	.	.	PROPN
bibechana-70126	331	6	polavarapu	polavarapu	PROPN
bibechana-70126	331	7	.	.	PUNCT
bibechana-70126	332	1	ab	ab	PROPN
bibechana-70126	332	2	initio	initio	PROPN
bibechana-70126	332	3	vibrational	vibrational	PROPN
bibechana-70126	332	4	raman	raman	NOUN
bibechana-70126	332	5	and	and	CCONJ
bibechana-70126	332	6	raman	raman	ADJ
bibechana-70126	332	7	optical	optical	ADJ
bibechana-70126	332	8	activity	activity	NOUN
bibechana-70126	332	9	spectra	spectra	NOUN
bibechana-70126	332	10	.	.	PUNCT
bibechana-70126	333	1	j.	j.	PROPN
bibechana-70126	333	2	phys	phys	PROPN
bibechana-70126	333	3	.	.	PUNCT
bibechana-70126	334	1	chem	chem	PROPN
bibechana-70126	334	2	.	.	PUNCT
bibechana-70126	334	3	,	,	PUNCT
bibechana-70126	335	1	94(18):8106–8112	94(18):8106–8112	NUM
bibechana-70126	335	2	,	,	PUNCT
bibechana-70126	335	3	1990	1990	NUM
bibechana-70126	335	4	.	.	PUNCT
bibechana-70126	336	1	[	[	X
bibechana-70126	336	2	30	30	NUM
bibechana-70126	336	3	]	]	X
bibechana-70126	336	4	b.d	b.d	PROPN
bibechana-70126	336	5	.	.	PROPN
bibechana-70126	336	6	joshi	joshi	PROPN
bibechana-70126	336	7	,	,	PUNCT
bibechana-70126	336	8	a.	a.	PROPN
bibechana-70126	336	9	srivastava	srivastava	PROPN
bibechana-70126	336	10	,	,	PUNCT
bibechana-70126	336	11	p.	p.	PROPN
bibechana-70126	336	12	tandon	tandon	PROPN
bibechana-70126	336	13	,	,	PUNCT
bibechana-70126	336	14	and	and	CCONJ
bibechana-70126	336	15	s.	s.	PROPN
bibechana-70126	336	16	jain	jain	PROPN
bibechana-70126	336	17	.	.	PUNCT
bibechana-70126	337	1	molecular	molecular	ADJ
bibechana-70126	337	2	structure	structure	NOUN
bibechana-70126	337	3	,	,	PUNCT
bibechana-70126	337	4	vibrational	vibrational	ADJ
bibechana-70126	337	5	spectra	spectra	NOUN
bibechana-70126	337	6	and	and	CCONJ
bibechana-70126	337	7	homo	homo	NOUN
bibechana-70126	337	8	,	,	PUNCT
bibechana-70126	337	9	lumo	lumo	ADJ
bibechana-70126	337	10	analysis	analysis	NOUN
bibechana-70126	337	11	of	of	ADP
bibechana-70126	337	12	yohimbine	yohimbine	NOUN
bibechana-70126	337	13	hydrochloride	hydrochloride	NOUN
bibechana-70126	337	14	by	by	ADP
bibechana-70126	337	15	density	density	NOUN
bibechana-70126	337	16	functional	functional	ADJ
bibechana-70126	337	17	theory	theory	NOUN
bibechana-70126	337	18	and	and	CCONJ
bibechana-70126	337	19	ab	ab	PROPN
bibechana-70126	337	20	initio	initio	PROPN
bibechana-70126	337	21	hartree	hartree	PROPN
bibechana-70126	337	22	–	–	PUNCT
bibechana-70126	337	23	fock	fock	ADJ
bibechana-70126	337	24	calculations	calculation	NOUN
bibechana-70126	337	25	.	.	PUNCT
bibechana-70126	338	1	spectrochim	spectrochim	PROPN
bibechana-70126	338	2	.	.	PUNCT
bibechana-70126	339	1	acta	acta	PROPN
bibechana-70126	339	2	a	a	DET
bibechana-70126	339	3	mol	mol	PROPN
bibechana-70126	339	4	.	.	PUNCT
bibechana-70126	339	5	and	and	CCONJ
bibechana-70126	339	6	biomol	biomol	PROPN
bibechana-70126	339	7	.	.	PUNCT
bibechana-70126	340	1	spectrosc	spectrosc	PROPN
bibechana-70126	340	2	.	.	PUNCT
bibechana-70126	340	3	,	,	PUNCT
bibechana-70126	341	1	82:270–278	82:270–278	PROPN
bibechana-70126	341	2	,	,	PUNCT
bibechana-70126	341	3	2011	2011	NUM
bibechana-70126	341	4	.	.	PUNCT
bibechana-70126	342	1	[	[	X
bibechana-70126	342	2	31	31	NUM
bibechana-70126	342	3	]	]	X
bibechana-70126	342	4	g.	g.	PROPN
bibechana-70126	342	5	baranovic	baranovic	PROPN
bibechana-70126	342	6	and	and	CCONJ
bibechana-70126	342	7	s.	s.	PROPN
bibechana-70126	342	8	segota	segota	PROPN
bibechana-70126	342	9	.	.	PUNCT
bibechana-70126	343	1	infrared	infrared	ADJ
bibechana-70126	343	2	spectroscopy	spectroscopy	NOUN
bibechana-70126	343	3	of	of	ADP
bibechana-70126	343	4	flavones	flavone	NOUN
bibechana-70126	343	5	and	and	CCONJ
bibechana-70126	343	6	flavonols	flavonol	NOUN
bibechana-70126	343	7	.	.	PUNCT
bibechana-70126	344	1	reexamination	reexamination	NOUN
bibechana-70126	344	2	of	of	ADP
bibechana-70126	344	3	the	the	DET
bibechana-70126	344	4	hydroxyl	hydroxyl	NOUN
bibechana-70126	344	5	and	and	CCONJ
bibechana-70126	344	6	carbonyl	carbonyl	NOUN
bibechana-70126	344	7	vibrations	vibration	NOUN
bibechana-70126	344	8	in	in	ADP
bibechana-70126	344	9	the	the	DET
bibechana-70126	344	10	relation	relation	NOUN
bibechana-70126	344	11	to	to	ADP
bibechana-70126	344	12	the	the	DET
bibechana-70126	344	13	interactions	interaction	NOUN
bibechana-70126	344	14	of	of	ADP
bibechana-70126	344	15	flavonoids	flavonoid	NOUN
bibechana-70126	344	16	with	with	ADP
bibechana-70126	344	17	membrane	membrane	NOUN
bibechana-70126	344	18	lipids	lipid	NOUN
bibechana-70126	344	19	.	.	PUNCT
bibechana-70126	345	1	spectrochim	spectrochim	PROPN
bibechana-70126	345	2	.	.	PUNCT
bibechana-70126	346	1	acta	acta	PROPN
bibechana-70126	346	2	a	a	DET
bibechana-70126	346	3	:	:	SYM
bibechana-70126	346	4	mol	mol	PROPN
bibechana-70126	346	5	.	.	PROPN
bibechana-70126	346	6	bimol	bimol	PROPN
bibechana-70126	346	7	.	.	PUNCT
bibechana-70126	346	8	spectrosc	spectrosc	PROPN
bibechana-70126	346	9	.	.	PUNCT
bibechana-70126	346	10	,	,	PUNCT
bibechana-70126	346	11	192:473–786	192:473–786	NUM
bibechana-70126	346	12	,	,	PUNCT
bibechana-70126	346	13	2018	2018	NUM
bibechana-70126	346	14	.	.	PUNCT
bibechana-70126	347	1	[	[	X
bibechana-70126	347	2	32	32	NUM
bibechana-70126	347	3	]	]	PUNCT
bibechana-70126	347	4	j.	j.	PROPN
bibechana-70126	347	5	coates	coates	PROPN
bibechana-70126	347	6	.	.	PUNCT
bibechana-70126	348	1	interpretation	interpretation	NOUN
bibechana-70126	348	2	of	of	ADP
bibechana-70126	348	3	infrared	infrared	PROPN
bibechana-70126	348	4	spectra	spectra	PROPN
bibechana-70126	348	5	,	,	PUNCT
bibechana-70126	348	6	a	a	DET
bibechana-70126	348	7	practical	practical	ADJ
bibechana-70126	348	8	approach	approach	NOUN
bibechana-70126	348	9	.	.	PUNCT
bibechana-70126	349	1	wiley	wiley	PROPN
bibechana-70126	349	2	,	,	PUNCT
bibechana-70126	349	3	1st	1st	PROPN
bibechana-70126	349	4	edition	edition	NOUN
bibechana-70126	349	5	,	,	PUNCT
bibechana-70126	349	6	2000	2000	NUM
bibechana-70126	349	7	.	.	PUNCT
bibechana-70126	350	1	[	[	X
bibechana-70126	350	2	33	33	NUM
bibechana-70126	350	3	]	]	PUNCT
bibechana-70126	350	4	t.	t.	PROPN
bibechana-70126	350	5	chaudhary	chaudhary	PROPN
bibechana-70126	350	6	,	,	PUNCT
bibechana-70126	350	7	m.	m.	NOUN
bibechana-70126	350	8	kumar	kumar	PROPN
bibechana-70126	350	9	chaudhary	chaudhary	PROPN
bibechana-70126	350	10	,	,	PUNCT
bibechana-70126	350	11	s.	s.	PROPN
bibechana-70126	350	12	jain	jain	PROPN
bibechana-70126	350	13	,	,	PUNCT
bibechana-70126	350	14	p.	p.	PROPN
bibechana-70126	350	15	tandon	tandon	PROPN
bibechana-70126	350	16	,	,	PUNCT
bibechana-70126	350	17	and	and	CCONJ
bibechana-70126	350	18	b.	b.	PROPN
bibechana-70126	350	19	datt	datt	PROPN
bibechana-70126	350	20	joshi	joshi	PROPN
bibechana-70126	350	21	.	.	PUNCT
bibechana-70126	351	1	the	the	DET
bibechana-70126	351	2	experimental	experimental	ADJ
bibechana-70126	351	3	and	and	CCONJ
bibechana-70126	351	4	theoretical	theoretical	ADJ
bibechana-70126	351	5	spectroscopic	spectroscopic	ADJ
bibechana-70126	351	6	elucidation	elucidation	NOUN
bibechana-70126	351	7	of	of	ADP
bibechana-70126	351	8	molecular	molecular	ADJ
bibechana-70126	351	9	structure	structure	NOUN
bibechana-70126	351	10	,	,	PUNCT
bibechana-70126	351	11	electronic	electronic	ADJ
bibechana-70126	351	12	properties	property	NOUN
bibechana-70126	351	13	,	,	PUNCT
bibechana-70126	351	14	thermal	thermal	ADJ
bibechana-70126	351	15	analysis	analysis	NOUN
bibechana-70126	351	16	,	,	PUNCT
bibechana-70126	351	17	biological	biological	ADJ
bibechana-70126	351	18	evaluation	evaluation	NOUN
bibechana-70126	351	19	,	,	PUNCT
bibechana-70126	351	20	and	and	CCONJ
bibechana-70126	351	21	molecular	molecular	ADJ
bibechana-70126	351	22	docking	docking	NOUN
bibechana-70126	351	23	studies	study	NOUN
bibechana-70126	351	24	of	of	ADP
bibechana-70126	351	25	isococculidine	isococculidine	NOUN
bibechana-70126	351	26	.	.	PUNCT
bibechana-70126	352	1	j.	j.	PROPN
bibechana-70126	352	2	mol	mol	PROPN
bibechana-70126	352	3	.	.	PROPN
bibechana-70126	352	4	liq	liq	PROPN
bibechana-70126	352	5	.	.	PUNCT
bibechana-70126	352	6	,	,	PUNCT
bibechana-70126	352	7	391:123212	391:123212	NUM
bibechana-70126	352	8	,	,	PUNCT
bibechana-70126	352	9	2023	2023	NUM
bibechana-70126	352	10	.	.	PUNCT
bibechana-70126	353	1	[	[	X
bibechana-70126	353	2	34	34	NUM
bibechana-70126	353	3	]	]	X
bibechana-70126	353	4	r.	r.	PROPN
bibechana-70126	353	5	rijal	rijal	PROPN
bibechana-70126	353	6	,	,	PUNCT
bibechana-70126	353	7	m.	m.	NOUN
bibechana-70126	353	8	sah	sah	PROPN
bibechana-70126	353	9	,	,	PUNCT
bibechana-70126	353	10	h.p	h.p	PROPN
bibechana-70126	353	11	.	.	PROPN
bibechana-70126	353	12	lamichhane	lamichhane	PROPN
bibechana-70126	353	13	,	,	PUNCT
bibechana-70126	353	14	and	and	CCONJ
bibechana-70126	353	15	h.s	h.s	PROPN
bibechana-70126	353	16	.	.	PROPN
bibechana-70126	353	17	mallik	mallik	PROPN
bibechana-70126	353	18	.	.	PUNCT
bibechana-70126	353	19	quantum	quantum	PROPN
bibechana-70126	353	20	chemical	chemical	NOUN
bibechana-70126	353	21	calculations	calculation	NOUN
bibechana-70126	353	22	of	of	ADP
bibechana-70126	353	23	nicotine	nicotine	NOUN
bibechana-70126	353	24	and	and	CCONJ
bibechana-70126	353	25	caffeine	caffeine	NOUN
bibechana-70126	353	26	molecule	molecule	NOUN
bibechana-70126	353	27	in	in	ADP
bibechana-70126	353	28	gas	gas	NOUN
bibechana-70126	353	29	phase	phase	NOUN
bibechana-70126	353	30	and	and	CCONJ
bibechana-70126	353	31	solvent	solvent	NOUN
bibechana-70126	353	32	using	use	VERB
bibechana-70126	353	33	dft	dft	PROPN
bibechana-70126	353	34	methods	method	NOUN
bibechana-70126	353	35	.	.	PUNCT
bibechana-70126	354	1	heliyon	heliyon	NOUN
bibechana-70126	354	2	,	,	PUNCT
bibechana-70126	354	3	8	8	NUM
bibechana-70126	354	4	,	,	PUNCT
bibechana-70126	354	5	2022	2022	NUM
bibechana-70126	354	6	.	.	PUNCT
bibechana-70126	355	1	[	[	X
bibechana-70126	355	2	35	35	NUM
bibechana-70126	355	3	]	]	X
bibechana-70126	355	4	c.s	c.s	PROPN
bibechana-70126	355	5	.	.	PROPN
bibechana-70126	355	6	abraham	abraham	PROPN
bibechana-70126	355	7	,	,	PUNCT
bibechana-70126	355	8	j.c	j.c	PROPN
bibechana-70126	355	9	.	.	PROPN
bibechana-70126	355	10	prasana	prasana	PROPN
bibechana-70126	355	11	,	,	PUNCT
bibechana-70126	355	12	s.	s.	PROPN
bibechana-70126	355	13	muthu	muthu	PROPN
bibechana-70126	355	14	,	,	PUNCT
bibechana-70126	355	15	f.	f.	PROPN
bibechana-70126	355	16	rizwana	rizwana	PROPN
bibechana-70126	355	17	b	b	PROPN
bibechana-70126	355	18	,	,	PUNCT
bibechana-70126	355	19	and	and	CCONJ
bibechana-70126	355	20	m.	m.	PROPN
bibechana-70126	355	21	raja	raja	PROPN
bibechana-70126	355	22	.	.	PUNCT
bibechana-70126	356	1	quantum	quantum	ADJ
bibechana-70126	356	2	computational	computational	ADJ
bibechana-70126	356	3	studies	study	NOUN
bibechana-70126	356	4	,	,	PUNCT
bibechana-70126	356	5	spectroscopic	spectroscopic	NOUN
bibechana-70126	356	6	(	(	PUNCT
bibechana-70126	356	7	ft	ft	NOUN
bibechana-70126	356	8	-	-	PUNCT
bibechana-70126	356	9	ir	ir	NOUN
bibechana-70126	356	10	,	,	PUNCT
bibechana-70126	356	11	ft	ft	NOUN
bibechana-70126	356	12	-	-	PUNCT
bibechana-70126	356	13	raman	raman	NOUN
bibechana-70126	356	14	and	and	CCONJ
bibechana-70126	356	15	uv	uv	NOUN
bibechana-70126	356	16	–	–	PUNCT
bibechana-70126	356	17	vis	vis	X
bibechana-70126	356	18	)	)	PUNCT
bibechana-70126	356	19	profiling	profiling	ADJ
bibechana-70126	356	20	,	,	PUNCT
bibechana-70126	356	21	natural	natural	ADJ
bibechana-70126	356	22	hybrid	hybrid	ADJ
bibechana-70126	356	23	orbital	orbital	ADJ
bibechana-70126	356	24	and	and	CCONJ
bibechana-70126	356	25	molecular	molecular	ADJ
bibechana-70126	356	26	docking	docking	NOUN
bibechana-70126	356	27	analysis	analysis	NOUN
bibechana-70126	356	28	on	on	ADP
bibechana-70126	356	29	2,4	2,4	NUM
bibechana-70126	356	30	dibromoaniline	dibromoaniline	NOUN
bibechana-70126	356	31	.	.	PUNCT
bibechana-70126	357	1	j	j	PROPN
bibechana-70126	357	2	mol	mol	ADP
bibechana-70126	357	3	struct	struct	NOUN
bibechana-70126	357	4	.	.	PUNCT
bibechana-70126	357	5	,	,	PUNCT
bibechana-70126	357	6	1160:393–405	1160:393–405	PROPN
bibechana-70126	357	7	,	,	PUNCT
bibechana-70126	357	8	2018	2018	NUM
bibechana-70126	357	9	.	.	PUNCT
bibechana-70126	358	1	[	[	X
bibechana-70126	358	2	36	36	NUM
bibechana-70126	358	3	]	]	X
bibechana-70126	358	4	m.	m.	NOUN
bibechana-70126	358	5	sirajuddin	sirajuddin	PROPN
bibechana-70126	358	6	,	,	PUNCT
bibechana-70126	358	7	s.	s.	PROPN
bibechana-70126	358	8	ali	ali	PROPN
bibechana-70126	358	9	,	,	PUNCT
bibechana-70126	358	10	and	and	CCONJ
bibechana-70126	358	11	a.	a.	PROPN
bibechana-70126	358	12	badshah	badshah	PROPN
bibechana-70126	358	13	.	.	PUNCT
bibechana-70126	359	1	drug	drug	NOUN
bibechana-70126	359	2	–	–	PUNCT
bibechana-70126	359	3	dna	dna	NOUN
bibechana-70126	359	4	interactions	interaction	NOUN
bibechana-70126	359	5	and	and	CCONJ
bibechana-70126	359	6	their	their	PRON
bibechana-70126	359	7	study	study	NOUN
bibechana-70126	359	8	by	by	ADP
bibechana-70126	359	9	uv	uv	NOUN
bibechana-70126	359	10	–	–	PUNCT
bibechana-70126	359	11	visible	visible	ADJ
bibechana-70126	359	12	,	,	PUNCT
bibechana-70126	359	13	fluorescence	fluorescence	ADJ
bibechana-70126	359	14	spectroscopies	spectroscopy	NOUN
bibechana-70126	359	15	and	and	CCONJ
bibechana-70126	359	16	cyclic	cyclic	ADJ
bibechana-70126	359	17	voltametry	voltametry	NOUN
bibechana-70126	359	18	.	.	PUNCT
bibechana-70126	360	1	j.	j.	PROPN
bibechana-70126	360	2	photochem	photochem	PROPN
bibechana-70126	360	3	.	.	PUNCT
bibechana-70126	361	1	and	and	CCONJ
bibechana-70126	361	2	photobio	photobio	NOUN
bibechana-70126	361	3	.	.	PUNCT
bibechana-70126	362	1	b	b	X
bibechana-70126	362	2	:	:	PUNCT
bibechana-70126	362	3	biology	biology	NOUN
bibechana-70126	362	4	,	,	PUNCT
bibechana-70126	362	5	124:1–19	124:1–19	PROPN
bibechana-70126	362	6	,	,	PUNCT
bibechana-70126	362	7	2013	2013	NUM
bibechana-70126	362	8	.	.	PUNCT
bibechana-70126	363	1	[	[	X
bibechana-70126	363	2	37	37	NUM
bibechana-70126	363	3	]	]	X
bibechana-70126	363	4	j.b	j.b	PROPN
bibechana-70126	363	5	.	.	PROPN
bibechana-70126	363	6	khadka	khadka	PROPN
bibechana-70126	363	7	and	and	CCONJ
bibechana-70126	363	8	b.d	b.d	PROPN
bibechana-70126	363	9	.	.	PROPN
bibechana-70126	363	10	joshi	joshi	PROPN
bibechana-70126	363	11	.	.	PUNCT
bibechana-70126	364	1	molecular	molecular	ADJ
bibechana-70126	364	2	electrostatic	electrostatic	ADJ
bibechana-70126	364	3	potential	potential	NOUN
bibechana-70126	364	4	,	,	PUNCT
bibechana-70126	364	5	homo	homo	NOUN
bibechana-70126	364	6	-	-	PUNCT
bibechana-70126	364	7	lumo	lumo	NOUN
bibechana-70126	364	8	and	and	CCONJ
bibechana-70126	364	9	vibrational	vibrational	ADJ
bibechana-70126	364	10	study	study	NOUN
bibechana-70126	364	11	of	of	ADP
bibechana-70126	364	12	aristolochic	aristolochic	ADJ
bibechana-70126	364	13	acid	acid	NOUN
bibechana-70126	364	14	ii	ii	NOUN
bibechana-70126	364	15	using	use	VERB
bibechana-70126	364	16	density	density	NOUN
bibechana-70126	364	17	functional	functional	ADJ
bibechana-70126	364	18	theory	theory	NOUN
bibechana-70126	364	19	.	.	PUNCT
bibechana-70126	365	1	bibechana	bibechana	PROPN
bibechana-70126	365	2	,	,	PUNCT
bibechana-70126	365	3	12:40–52	12:40–52	NUM
bibechana-70126	365	4	,	,	PUNCT
bibechana-70126	365	5	2014	2014	NUM
bibechana-70126	365	6	.	.	PUNCT
bibechana-70126	366	1	[	[	X
bibechana-70126	366	2	38	38	NUM
bibechana-70126	366	3	]	]	PUNCT
bibechana-70126	366	4	a.	a.	NOUN
bibechana-70126	366	5	adeogun	adeogun	PROPN
bibechana-70126	366	6	,	,	PUNCT
bibechana-70126	366	7	n.	n.	PROPN
bibechana-70126	366	8	odozi	odozi	PROPN
bibechana-70126	366	9	,	,	PUNCT
bibechana-70126	366	10	n.o	n.o	PROPN
bibechana-70126	366	11	.	.	PROPN
bibechana-70126	366	12	obiegbedi	obiegbedi	PROPN
bibechana-70126	366	13	,	,	PUNCT
bibechana-70126	366	14	and	and	CCONJ
bibechana-70126	366	15	o.	o.	PROPN
bibechana-70126	366	16	bello	bello	PROPN
bibechana-70126	366	17	.	.	PUNCT
bibechana-70126	367	1	solvents	solvent	NOUN
bibechana-70126	367	2	effect	effect	VERB
bibechana-70126	367	3	on	on	ADP
bibechana-70126	367	4	n→	n→	NOUN
bibechana-70126	367	5	*	*	PUNCT
bibechana-70126	367	6	and	and	CCONJ
bibechana-70126	367	7	→	→	NOUN
bibechana-70126	367	8	*	*	ADJ
bibechana-70126	367	9	transition	transition	NOUN
bibechana-70126	367	10	of	of	ADP
bibechana-70126	367	11	9	9	NUM
bibechana-70126	367	12	-	-	PUNCT
bibechana-70126	367	13	fluorenone	fluorenone	NOUN
bibechana-70126	367	14	.	.	PUNCT
bibechana-70126	368	1	african	african	PROPN
bibechana-70126	368	2	j.	j.	PROPN
bibechana-70126	368	3	biotechnol	biotechnol	PROPN
bibechana-70126	368	4	.	.	PUNCT
bibechana-70126	368	5	,	,	PUNCT
bibechana-70126	369	1	7:2736–2738	7:2736–2738	NUM
bibechana-70126	369	2	,	,	PUNCT
bibechana-70126	369	3	2008	2008	NUM
bibechana-70126	369	4	.	.	PUNCT
bibechana-70126	370	1	tirth	tirth	PROPN
bibechana-70126	370	2	raj	raj	PROPN
bibechana-70126	370	3	paneru	paneru	PROPN
bibechana-70126	370	4	et	et	PROPN
bibechana-70126	370	5	al./	al./	ADV
bibechana-70126	370	6	bibechana	bibechana	PROPN
bibechana-70126	370	7	22	22	NUM
bibechana-70126	370	8	(	(	PUNCT
bibechana-70126	370	9	2025	2025	NUM
bibechana-70126	370	10	)	)	PUNCT
bibechana-70126	370	11	1	1	NUM
bibechana-70126	370	12	-	-	SYM
bibechana-70126	370	13	14	14	NUM
bibechana-70126	370	14	14	14	NUM
bibechana-70126	370	15	[	[	X
bibechana-70126	370	16	39	39	NUM
bibechana-70126	370	17	]	]	X
bibechana-70126	370	18	p.k	p.k	PROPN
bibechana-70126	370	19	.	.	PROPN
bibechana-70126	370	20	weiner	weiner	PROPN
bibechana-70126	370	21	,	,	PUNCT
bibechana-70126	370	22	r.	r.	PROPN
bibechana-70126	370	23	langridge	langridge	PROPN
bibechana-70126	370	24	,	,	PUNCT
bibechana-70126	370	25	j.m	j.m	PROPN
bibechana-70126	370	26	.	.	PROPN
bibechana-70126	370	27	blaney	blaney	PROPN
bibechana-70126	370	28	,	,	PUNCT
bibechana-70126	370	29	r.	r.	PROPN
bibechana-70126	370	30	schaefer	schaefer	PROPN
bibechana-70126	370	31	,	,	PUNCT
bibechana-70126	370	32	and	and	CCONJ
bibechana-70126	370	33	p.a	p.a	PROPN
bibechana-70126	370	34	.	.	PROPN
bibechana-70126	370	35	kollman	kollman	PROPN
bibechana-70126	370	36	.	.	PUNCT
bibechana-70126	371	1	electrostatic	electrostatic	ADJ
bibechana-70126	371	2	potential	potential	ADJ
bibechana-70126	371	3	molecular	molecular	ADJ
bibechana-70126	371	4	surfaces	surface	NOUN
bibechana-70126	371	5	.	.	PUNCT
bibechana-70126	372	1	proc	proc	NOUN
bibechana-70126	372	2	.	.	PUNCT
bibechana-70126	373	1	natl	natl	PROPN
bibechana-70126	373	2	.	.	PUNCT
bibechana-70126	374	1	acad	acad	PROPN
bibechana-70126	374	2	.	.	PUNCT
bibechana-70126	375	1	sci	sci	PROPN
bibechana-70126	375	2	.	.	PUNCT
bibechana-70126	375	3	u.s.a	u.s.a	PROPN
bibechana-70126	375	4	.	.	PROPN
bibechana-70126	375	5	,	,	PUNCT
bibechana-70126	375	6	79:3754–3758	79:3754–3758	NUM
bibechana-70126	375	7	,	,	PUNCT
bibechana-70126	375	8	1982	1982	NUM
bibechana-70126	375	9	.	.	PUNCT
bibechana-70126	376	1	[	[	X
bibechana-70126	376	2	40	40	NUM
bibechana-70126	376	3	]	]	PUNCT
bibechana-70126	376	4	t.	t.	PROPN
bibechana-70126	376	5	r.	r.	PROPN
bibechana-70126	376	6	paneru	paneru	PROPN
bibechana-70126	376	7	,	,	PUNCT
bibechana-70126	376	8	m.	m.	PROPN
bibechana-70126	376	9	k.	k.	PROPN
bibechana-70126	376	10	chaudhary	chaudhary	PROPN
bibechana-70126	376	11	,	,	PUNCT
bibechana-70126	376	12	p.	p.	PROPN
bibechana-70126	376	13	tandon	tandon	PROPN
bibechana-70126	376	14	,	,	PUNCT
bibechana-70126	376	15	and	and	CCONJ
bibechana-70126	376	16	b.	b.	PROPN
bibechana-70126	376	17	d.	d.	PROPN
bibechana-70126	376	18	joshi	joshi	PROPN
bibechana-70126	376	19	.	.	PUNCT
bibechana-70126	377	1	cocrystal	cocrystal	PROPN
bibechana-70126	377	2	screening	screening	NOUN
bibechana-70126	377	3	of	of	ADP
bibechana-70126	377	4	benznidazole	benznidazole	NOUN
bibechana-70126	377	5	based	base	VERB
bibechana-70126	377	6	on	on	ADP
bibechana-70126	377	7	electronic	electronic	ADJ
bibechana-70126	377	8	transition	transition	NOUN
bibechana-70126	377	9	,	,	PUNCT
bibechana-70126	377	10	molecular	molecular	ADJ
bibechana-70126	377	11	reactivity	reactivity	NOUN
bibechana-70126	377	12	,	,	PUNCT
bibechana-70126	377	13	hydrogen	hydrogen	NOUN
bibechana-70126	377	14	bonding	bonding	NOUN
bibechana-70126	377	15	,	,	PUNCT
bibechana-70126	377	16	and	and	CCONJ
bibechana-70126	377	17	stability	stability	NOUN
bibechana-70126	377	18	.	.	PUNCT
bibechana-70126	378	1	j.	j.	PROPN
bibechana-70126	378	2	mol	mol	PROPN
bibechana-70126	378	3	.	.	PUNCT
bibechana-70126	379	1	mod	mod	PROPN
bibechana-70126	379	2	.	.	PROPN
bibechana-70126	379	3	,	,	PUNCT
bibechana-70126	379	4	2024	2024	NUM
bibechana-70126	379	5	.	.	PUNCT
bibechana-70126	380	1	[	[	X
bibechana-70126	380	2	41	41	NUM
bibechana-70126	380	3	]	]	X
bibechana-70126	380	4	a.e	a.e	PROPN
bibechana-70126	380	5	.	.	PROPN
bibechana-70126	380	6	reed	reed	PROPN
bibechana-70126	380	7	,	,	PUNCT
bibechana-70126	380	8	r.b	r.b	PROPN
bibechana-70126	380	9	.	.	PROPN
bibechana-70126	380	10	weinstock	weinstock	PROPN
bibechana-70126	380	11	,	,	PUNCT
bibechana-70126	380	12	and	and	CCONJ
bibechana-70126	380	13	f.	f.	PROPN
bibechana-70126	380	14	weinhold	weinhold	PROPN
bibechana-70126	380	15	.	.	PUNCT
bibechana-70126	381	1	natural	natural	ADJ
bibechana-70126	381	2	population	population	NOUN
bibechana-70126	381	3	analysis	analysis	NOUN
bibechana-70126	381	4	.	.	PUNCT
bibechana-70126	382	1	j.	j.	PROPN
bibechana-70126	382	2	chem	chem	PROPN
bibechana-70126	382	3	.	.	PUNCT
bibechana-70126	383	1	phys	phy	NOUN
bibechana-70126	383	2	.	.	PUNCT
bibechana-70126	383	3	,	,	PUNCT
bibechana-70126	383	4	83:735–746	83:735–746	PROPN
bibechana-70126	383	5	,	,	PUNCT
bibechana-70126	383	6	1985	1985	NUM
bibechana-70126	383	7	.	.	PUNCT
bibechana-70126	384	1	[	[	X
bibechana-70126	384	2	42	42	NUM
bibechana-70126	384	3	]	]	X
bibechana-70126	384	4	s.a	s.a	PROPN
bibechana-70126	384	5	.	.	PROPN
bibechana-70126	384	6	halim	halim	PROPN
bibechana-70126	384	7	,	,	PUNCT
bibechana-70126	384	8	a.b	a.b	PROPN
bibechana-70126	384	9	.	.	PROPN
bibechana-70126	384	10	el	el	PROPN
bibechana-70126	384	11	-	-	PUNCT
bibechana-70126	384	12	meligy	meligy	PROPN
bibechana-70126	384	13	,	,	PUNCT
bibechana-70126	384	14	a.m.	a.m.	PROPN
bibechana-70126	384	15	el	el	PROPN
bibechana-70126	384	16	-	-	PUNCT
bibechana-70126	384	17	nahas	nahas	PROPN
bibechana-70126	384	18	,	,	PUNCT
bibechana-70126	384	19	and	and	CCONJ
bibechana-70126	384	20	s.h	s.h	PROPN
bibechana-70126	384	21	.	.	PROPN
bibechana-70126	384	22	el	el	PROPN
bibechana-70126	384	23	-	-	PUNCT
bibechana-70126	384	24	demerdash	demerdash	PROPN
bibechana-70126	384	25	.	.	PUNCT
bibechana-70126	385	1	dft	dft	PROPN
bibechana-70126	385	2	study	study	PROPN
bibechana-70126	385	3	,	,	PUNCT
bibechana-70126	385	4	and	and	CCONJ
bibechana-70126	385	5	natural	natural	ADJ
bibechana-70126	385	6	bond	bond	NOUN
bibechana-70126	385	7	orbital	orbital	NOUN
bibechana-70126	385	8	(	(	PUNCT
bibechana-70126	385	9	nbo	nbo	NOUN
bibechana-70126	385	10	)	)	PUNCT
bibechana-70126	385	11	population	population	NOUN
bibechana-70126	385	12	analysis	analysis	NOUN
bibechana-70126	385	13	of	of	ADP
bibechana-70126	385	14	2-(2	2-(2	NOUN
bibechana-70126	385	15	-	-	PUNCT
bibechana-70126	385	16	hydroxyphenyl)-1	hydroxyphenyl)-1	NOUN
bibechana-70126	385	17	-	-	PUNCT
bibechana-70126	385	18	azaazulene	azaazulene	NOUN
bibechana-70126	385	19	tautomers	tautomer	NOUN
bibechana-70126	385	20	and	and	CCONJ
bibechana-70126	385	21	their	their	PRON
bibechana-70126	385	22	mercapto	mercapto	NOUN
bibechana-70126	385	23	analogues	analogue	NOUN
bibechana-70126	385	24	.	.	PUNCT
bibechana-70126	386	1	sci	sci	PROPN
bibechana-70126	386	2	.	.	PROPN
bibechana-70126	386	3	rep	rep	PROPN
bibechana-70126	386	4	.	.	PROPN
bibechana-70126	386	5	,	,	PUNCT
bibechana-70126	386	6	14:219	14:219	NUM
bibechana-70126	386	7	,	,	PUNCT
bibechana-70126	386	8	2024	2024	NUM
bibechana-70126	386	9	.	.	PUNCT
bibechana-70126	387	1	[	[	X
bibechana-70126	387	2	43	43	NUM
bibechana-70126	387	3	]	]	X
bibechana-70126	387	4	b.d	b.d	PROPN
bibechana-70126	387	5	.	.	PROPN
bibechana-70126	387	6	joshi	joshi	PROPN
bibechana-70126	387	7	.	.	PUNCT
bibechana-70126	388	1	nbo	nbo	PROPN
bibechana-70126	388	2	,	,	PUNCT
bibechana-70126	388	3	chemical	chemical	NOUN
bibechana-70126	388	4	reactivity	reactivity	NOUN
bibechana-70126	388	5	,	,	PUNCT
bibechana-70126	388	6	thermodynamic	thermodynamic	ADJ
bibechana-70126	388	7	properties	property	NOUN
bibechana-70126	388	8	and	and	CCONJ
bibechana-70126	388	9	hyperpolarizability	hyperpolarizability	NOUN
bibechana-70126	388	10	analysis	analysis	NOUN
bibechana-70126	388	11	of	of	ADP
bibechana-70126	388	12	aristolochic	aristolochic	ADJ
bibechana-70126	388	13	acid	acid	PROPN
bibechana-70126	388	14	ii	ii	PROPN
bibechana-70126	388	15	.	.	PUNCT
bibechana-70126	389	1	bibechana	bibechana	PROPN
bibechana-70126	389	2	,	,	PUNCT
bibechana-70126	389	3	14:86–97	14:86–97	NUM
bibechana-70126	389	4	,	,	PUNCT
bibechana-70126	389	5	2016	2016	NUM
bibechana-70126	389	6	.	.	PUNCT
bibechana-70126	390	1	[	[	X
bibechana-70126	390	2	44	44	NUM
bibechana-70126	390	3	]	]	X
bibechana-70126	390	4	c.e	c.e	PROPN
bibechana-70126	390	5	.	.	PROPN
bibechana-70126	390	6	powell	powell	PROPN
bibechana-70126	390	7	and	and	CCONJ
bibechana-70126	390	8	m.g	m.g	PROPN
bibechana-70126	390	9	.	.	PROPN
bibechana-70126	390	10	humphrey	humphrey	PROPN
bibechana-70126	390	11	.	.	PUNCT
bibechana-70126	391	1	nonlinear	nonlinear	ADJ
bibechana-70126	391	2	optical	optical	ADJ
bibechana-70126	391	3	properties	property	NOUN
bibechana-70126	391	4	of	of	ADP
bibechana-70126	391	5	transition	transition	NOUN
bibechana-70126	391	6	metal	metal	NOUN
bibechana-70126	391	7	acetylides	acetylide	NOUN
bibechana-70126	391	8	and	and	CCONJ
bibechana-70126	391	9	their	their	PRON
bibechana-70126	391	10	derivatives	derivative	NOUN
bibechana-70126	391	11	.	.	PUNCT
bibechana-70126	392	1	coord	coord	NOUN
bibechana-70126	392	2	.	.	PUNCT
bibechana-70126	393	1	chem	chem	PROPN
bibechana-70126	393	2	.	.	PUNCT
bibechana-70126	394	1	revs	revs	PROPN
bibechana-70126	394	2	.	.	PUNCT
bibechana-70126	394	3	,	,	PUNCT
bibechana-70126	394	4	248:725–756	248:725–756	NUM
bibechana-70126	394	5	,	,	PUNCT
bibechana-70126	394	6	2004	2004	NUM
bibechana-70126	394	7	.	.	PUNCT
bibechana-70126	395	1	[	[	X
bibechana-70126	395	2	45	45	NUM
bibechana-70126	395	3	]	]	PUNCT
bibechana-70126	395	4	j.	j.	PROPN
bibechana-70126	395	5	zyss	zyss	PROPN
bibechana-70126	395	6	.	.	PUNCT
bibechana-70126	396	1	molecular	molecular	ADJ
bibechana-70126	396	2	nonlinear	nonlinear	ADJ
bibechana-70126	396	3	optics	optic	NOUN
bibechana-70126	396	4	:	:	PUNCT
bibechana-70126	396	5	materials	material	NOUN
bibechana-70126	396	6	,	,	PUNCT
bibechana-70126	396	7	physics	physics	NOUN
bibechana-70126	396	8	,	,	PUNCT
bibechana-70126	396	9	and	and	CCONJ
bibechana-70126	396	10	devices	device	NOUN
bibechana-70126	396	11	.	.	PUNCT
bibechana-70126	397	1	academic	academic	ADJ
bibechana-70126	397	2	press	press	NOUN
bibechana-70126	397	3	,	,	PUNCT
bibechana-70126	397	4	2013	2013	NUM
bibechana-70126	397	5	.	.	PUNCT
bibechana-70126	398	1	[	[	X
bibechana-70126	398	2	46	46	NUM
bibechana-70126	398	3	]	]	X
bibechana-70126	398	4	c.	c.	PROPN
bibechana-70126	398	5	cassidy	cassidy	PROPN
bibechana-70126	398	6	,	,	PUNCT
bibechana-70126	398	7	j.m	j.m	PROPN
bibechana-70126	398	8	.	.	PROPN
bibechana-70126	398	9	halbout	halbout	PROPN
bibechana-70126	398	10	,	,	PUNCT
bibechana-70126	398	11	w.	w.	PROPN
bibechana-70126	398	12	donaldson	donaldson	PROPN
bibechana-70126	398	13	,	,	PUNCT
bibechana-70126	398	14	and	and	CCONJ
bibechana-70126	398	15	c.l	c.l	PROPN
bibechana-70126	398	16	.	.	PROPN
bibechana-70126	398	17	tang	tang	PROPN
bibechana-70126	398	18	.	.	PUNCT
bibechana-70126	399	1	nonlinear	nonlinear	ADJ
bibechana-70126	399	2	optical	optical	ADJ
bibechana-70126	399	3	properties	property	NOUN
bibechana-70126	399	4	of	of	ADP
bibechana-70126	399	5	urea	urea	NOUN
bibechana-70126	399	6	.	.	PUNCT
bibechana-70126	400	1	optics	optic	NOUN
bibechana-70126	400	2	communications	communication	NOUN
bibechana-70126	400	3	,	,	PUNCT
bibechana-70126	400	4	29(3):243–246	29(3):243–246	PROPN
bibechana-70126	400	5	,	,	PUNCT
bibechana-70126	400	6	1979	1979	NUM
bibechana-70126	400	7	.	.	PUNCT
bibechana-70126	401	1	[	[	X
bibechana-70126	401	2	47	47	NUM
bibechana-70126	401	3	]	]	PUNCT
bibechana-70126	401	4	l.	l.	PROPN
bibechana-70126	401	5	guan	guan	PROPN
bibechana-70126	401	6	,	,	PUNCT
bibechana-70126	401	7	h.	h.	PROPN
bibechana-70126	401	8	yang	yang	PROPN
bibechana-70126	401	9	,	,	PUNCT
bibechana-70126	401	10	y.	y.	PROPN
bibechana-70126	401	11	cai	cai	PROPN
bibechana-70126	401	12	,	,	PUNCT
bibechana-70126	401	13	l.	l.	PROPN
bibechana-70126	401	14	sun	sun	PROPN
bibechana-70126	401	15	,	,	PUNCT
bibechana-70126	401	16	p.	p.	PROPN
bibechana-70126	401	17	di	di	PROPN
bibechana-70126	401	18	,	,	PUNCT
bibechana-70126	401	19	w.	w.	PROPN
bibechana-70126	401	20	li	li	PROPN
bibechana-70126	401	21	,	,	PUNCT
bibechana-70126	401	22	g.	g.	PROPN
bibechana-70126	401	23	liu	liu	PROPN
bibechana-70126	401	24	,	,	PUNCT
bibechana-70126	401	25	and	and	CCONJ
bibechana-70126	401	26	y.	y.	PROPN
bibechana-70126	401	27	tang	tang	PROPN
bibechana-70126	401	28	.	.	PUNCT
bibechana-70126	402	1	admet	admet	NOUN
bibechana-70126	402	2	-	-	PUNCT
bibechana-70126	402	3	score	score	VERB
bibechana-70126	402	4	a	a	DET
bibechana-70126	402	5	comprehensive	comprehensive	ADJ
bibechana-70126	402	6	scoring	scoring	NOUN
bibechana-70126	402	7	function	function	NOUN
bibechana-70126	402	8	for	for	ADP
bibechana-70126	402	9	evaluation	evaluation	NOUN
bibechana-70126	402	10	of	of	ADP
bibechana-70126	402	11	chemical	chemical	ADJ
bibechana-70126	402	12	drug	drug	NOUN
bibechana-70126	402	13	-	-	PUNCT
bibechana-70126	402	14	likeness	likeness	NOUN
bibechana-70126	402	15	.	.	PUNCT
bibechana-70126	403	1	med	med	PROPN
bibechana-70126	403	2	.	.	PROPN
bibechana-70126	403	3	chem	chem	PROPN
bibechana-70126	403	4	.	.	PUNCT
bibechana-70126	404	1	comm	comm	NOUN
bibechana-70126	404	2	.	.	PUNCT
bibechana-70126	404	3	,	,	PUNCT
bibechana-70126	404	4	10:148–157	10:148–157	PROPN
bibechana-70126	404	5	,	,	PUNCT
bibechana-70126	404	6	2019	2019	NUM
bibechana-70126	404	7	.	.	PUNCT
bibechana-70126	405	1	[	[	X
bibechana-70126	405	2	48	48	NUM
bibechana-70126	405	3	]	]	X
bibechana-70126	405	4	c.a	c.a	PROPN
bibechana-70126	405	5	.	.	PROPN
bibechana-70126	405	6	lipinski	lipinski	PROPN
bibechana-70126	405	7	.	.	PROPN
bibechana-70126	406	1	leadand	leadand	PROPN
bibechana-70126	406	2	drug	drug	NOUN
bibechana-70126	406	3	-	-	PUNCT
bibechana-70126	406	4	like	like	ADJ
bibechana-70126	406	5	compounds	compound	NOUN
bibechana-70126	406	6	:	:	PUNCT
bibechana-70126	406	7	the	the	DET
bibechana-70126	406	8	rule	rule	NOUN
bibechana-70126	406	9	-	-	PUNCT
bibechana-70126	406	10	of	of	ADP
bibechana-70126	406	11	-	-	PUNCT
bibechana-70126	406	12	five	five	NUM
bibechana-70126	406	13	revolution	revolution	NOUN
bibechana-70126	406	14	.	.	PUNCT
bibechana-70126	407	1	drug	drug	NOUN
bibechana-70126	407	2	discovery	discovery	PROPN
bibechana-70126	407	3	today	today	NOUN
bibechana-70126	407	4	:	:	PUNCT
bibechana-70126	408	1	technologies	technology	NOUN
bibechana-70126	408	2	,	,	PUNCT
bibechana-70126	408	3	1(4):337–341	1(4):337–341	NUM
bibechana-70126	408	4	,	,	PUNCT
bibechana-70126	408	5	2004	2004	NUM
bibechana-70126	408	6	.	.	PUNCT
bibechana-70126	409	1	[	[	X
bibechana-70126	409	2	49	49	NUM
bibechana-70126	409	3	]	]	PUNCT
bibechana-70126	409	4	s.	s.	PROPN
bibechana-70126	409	5	das	das	PROPN
bibechana-70126	409	6	,	,	PUNCT
bibechana-70126	409	7	s.	s.	PROPN
bibechana-70126	409	8	nudrat	nudrat	PROPN
bibechana-70126	409	9	,	,	PUNCT
bibechana-70126	409	10	s.	s.	PROPN
bibechana-70126	409	11	maity	maity	PROPN
bibechana-70126	409	12	,	,	PUNCT
bibechana-70126	409	13	m.	m.	PROPN
bibechana-70126	409	14	jana	jana	PROPN
bibechana-70126	409	15	,	,	PUNCT
bibechana-70126	409	16	v.k	v.k	PROPN
bibechana-70126	409	17	.	.	PROPN
bibechana-70126	409	18	belwal	belwal	NOUN
bibechana-70126	409	19	,	,	PUNCT
bibechana-70126	409	20	and	and	CCONJ
bibechana-70126	409	21	a.	a.	PROPN
bibechana-70126	409	22	singha	singha	PROPN
bibechana-70126	409	23	roy	roy	PROPN
bibechana-70126	409	24	.	.	PROPN
bibechana-70126	409	25	isoflavones	isoflavone	NOUN
bibechana-70126	409	26	and	and	CCONJ
bibechana-70126	409	27	lysozyme	lysozyme	NOUN
bibechana-70126	409	28	interplay	interplay	NOUN
bibechana-70126	409	29	:	:	PUNCT
bibechana-70126	409	30	molecular	molecular	ADJ
bibechana-70126	409	31	insights	insight	NOUN
bibechana-70126	409	32	into	into	ADP
bibechana-70126	409	33	binding	bind	VERB
bibechana-70126	409	34	mechanisms	mechanism	NOUN
bibechana-70126	409	35	and	and	CCONJ
bibechana-70126	409	36	inhibitory	inhibitory	ADJ
bibechana-70126	409	37	efficacies	efficacy	NOUN
bibechana-70126	409	38	of	of	ADP
bibechana-70126	409	39	isoflavones	isoflavone	NOUN
bibechana-70126	409	40	against	against	ADP
bibechana-70126	409	41	protein	protein	NOUN
bibechana-70126	409	42	modification	modification	NOUN
bibechana-70126	409	43	.	.	PUNCT
bibechana-70126	410	1	chem	chem	NOUN
bibechana-70126	410	2	.	.	PUNCT
bibechana-70126	411	1	phys	phy	NOUN
bibechana-70126	411	2	.	.	PUNCT
bibechana-70126	412	1	impact	impact	NOUN
bibechana-70126	412	2	,	,	PUNCT
bibechana-70126	412	3	8:100643	8:100643	NUM
bibechana-70126	412	4	,	,	PUNCT
bibechana-70126	412	5	2024	2024	NUM
bibechana-70126	412	6	.	.	PUNCT
bibechana-70126	413	1	[	[	X
bibechana-70126	413	2	50	50	NUM
bibechana-70126	413	3	]	]	X
bibechana-70126	413	4	a.h	a.h	PROPN
bibechana-70126	413	5	.	.	PROPN
bibechana-70126	413	6	shamina	shamina	PROPN
bibechana-70126	413	7	,	,	PUNCT
bibechana-70126	413	8	v.	v.	PROPN
bibechana-70126	413	9	ganesan	ganesan	PROPN
bibechana-70126	413	10	,	,	PUNCT
bibechana-70126	413	11	v.b	v.b	PROPN
bibechana-70126	413	12	.	.	PROPN
bibechana-70126	413	13	jothy	jothy	PROPN
bibechana-70126	413	14	,	,	PUNCT
bibechana-70126	413	15	a.	a.	PROPN
bibechana-70126	413	16	manikandan	manikandan	PROPN
bibechana-70126	413	17	,	,	PUNCT
bibechana-70126	413	18	s.	s.	PROPN
bibechana-70126	413	19	muthu	muthu	PROPN
bibechana-70126	413	20	,	,	PUNCT
bibechana-70126	413	21	and	and	CCONJ
bibechana-70126	413	22	s.	s.	PROPN
bibechana-70126	413	23	javed	javed	PROPN
bibechana-70126	413	24	.	.	PUNCT
bibechana-70126	414	1	quantum	quantum	PROPN
bibechana-70126	414	2	chemical	chemical	NOUN
bibechana-70126	414	3	computations	computation	NOUN
bibechana-70126	414	4	on	on	ADP
bibechana-70126	414	5	molecular	molecular	ADJ
bibechana-70126	414	6	composition	composition	NOUN
bibechana-70126	414	7	,	,	PUNCT
bibechana-70126	414	8	spectroscopic	spectroscopic	ADJ
bibechana-70126	414	9	properties	property	NOUN
bibechana-70126	414	10	,	,	PUNCT
bibechana-70126	414	11	topology	topology	NOUN
bibechana-70126	414	12	exploration	exploration	NOUN
bibechana-70126	414	13	,	,	PUNCT
bibechana-70126	414	14	nlo	nlo	PROPN
bibechana-70126	414	15	,	,	PUNCT
bibechana-70126	414	16	ligand	ligand	ADJ
bibechana-70126	414	17	protein	protein	NOUN
bibechana-70126	414	18	interactions	interaction	NOUN
bibechana-70126	414	19	and	and	CCONJ
bibechana-70126	414	20	pharmacokinetic	pharmacokinetic	ADJ
bibechana-70126	414	21	evaluation	evaluation	NOUN
bibechana-70126	414	22	of	of	ADP
bibechana-70126	414	23	8hydroxyquinolium	8hydroxyquinolium	NUM
bibechana-70126	414	24	3	3	NUM
bibechana-70126	414	25	-	-	PUNCT
bibechana-70126	414	26	nitrobenzoate	nitrobenzoate	NOUN
bibechana-70126	414	27	.	.	PUNCT
bibechana-70126	415	1	chem	chem	NOUN
bibechana-70126	415	2	.	.	PUNCT
bibechana-70126	416	1	phys	phy	NOUN
bibechana-70126	416	2	.	.	PUNCT
bibechana-70126	417	1	impact	impact	NOUN
bibechana-70126	417	2	,	,	PUNCT
bibechana-70126	417	3	8:100394	8:100394	NUM
bibechana-70126	417	4	,	,	PUNCT
bibechana-70126	417	5	2024	2024	NUM
bibechana-70126	417	6	.	.	PUNCT
bibechana-70126	418	1	[	[	X
bibechana-70126	418	2	51	51	NUM
bibechana-70126	418	3	]	]	X
bibechana-70126	418	4	m.k	m.k	PROPN
bibechana-70126	418	5	.	.	PUNCT
bibechana-70126	418	6	chaudhary	chaudhary	PROPN
bibechana-70126	418	7	,	,	PUNCT
bibechana-70126	418	8	t.	t.	PROPN
bibechana-70126	418	9	chaudhary	chaudhary	PROPN
bibechana-70126	418	10	,	,	PUNCT
bibechana-70126	418	11	and	and	CCONJ
bibechana-70126	418	12	b.d	b.d	PROPN
bibechana-70126	418	13	.	.	PROPN
bibechana-70126	418	14	joshi	joshi	PROPN
bibechana-70126	418	15	.	.	PROPN
bibechana-70126	419	1	simulated	simulate	VERB
bibechana-70126	419	2	spectra	spectra	NOUN
bibechana-70126	419	3	(	(	PUNCT
bibechana-70126	419	4	ir	ir	NOUN
bibechana-70126	419	5	and	and	CCONJ
bibechana-70126	419	6	raman	raman	NOUN
bibechana-70126	419	7	)	)	PUNCT
bibechana-70126	419	8	,	,	PUNCT
bibechana-70126	419	9	nlo	nlo	PROPN
bibechana-70126	419	10	,	,	PUNCT
bibechana-70126	419	11	aim	aim	NOUN
bibechana-70126	419	12	and	and	CCONJ
bibechana-70126	419	13	molecular	molecular	ADJ
bibechana-70126	419	14	docking	docking	NOUN
bibechana-70126	419	15	of	of	ADP
bibechana-70126	419	16	carisoprodol	carisoprodol	NOUN
bibechana-70126	419	17	from	from	ADP
bibechana-70126	419	18	dft	dft	PROPN
bibechana-70126	419	19	approach	approach	NOUN
bibechana-70126	419	20	.	.	PUNCT
bibechana-70126	420	1	bibechana	bibechana	PROPN
bibechana-70126	420	2	,	,	PUNCT
bibechana-70126	420	3	18(1):48	18(1):48	NUM
bibechana-70126	420	4	–	–	PUNCT
bibechana-70126	420	5	57	57	NUM
bibechana-70126	420	6	,	,	PUNCT
bibechana-70126	420	7	2021	2021	NUM
bibechana-70126	420	8	.	.	PUNCT
bibechana-70126	421	1	[	[	X
bibechana-70126	421	2	52	52	NUM
bibechana-70126	421	3	]	]	PUNCT
bibechana-70126	421	4	f.	f.	PROPN
bibechana-70126	421	5	alimirah	alimirah	PROPN
bibechana-70126	421	6	,	,	PUNCT
bibechana-70126	421	7	j.	j.	PROPN
bibechana-70126	421	8	chen	chen	PROPN
bibechana-70126	421	9	,	,	PUNCT
bibechana-70126	421	10	z.	z.	PROPN
bibechana-70126	421	11	basrawala	basrawala	PROPN
bibechana-70126	421	12	,	,	PUNCT
bibechana-70126	421	13	h.	h.	PROPN
bibechana-70126	421	14	xin	xin	PROPN
bibechana-70126	421	15	,	,	PUNCT
bibechana-70126	421	16	and	and	CCONJ
bibechana-70126	421	17	d.	d.	PROPN
bibechana-70126	421	18	choubey	choubey	PROPN
bibechana-70126	421	19	.	.	PUNCT
bibechana-70126	422	1	du-145	du-145	PROPN
bibechana-70126	422	2	and	and	CCONJ
bibechana-70126	422	3	pc-3	pc-3	PUNCT
bibechana-70126	422	4	human	human	ADJ
bibechana-70126	422	5	prostate	prostate	NOUN
bibechana-70126	422	6	cancer	cancer	NOUN
bibechana-70126	422	7	cell	cell	NOUN
bibechana-70126	422	8	lines	line	NOUN
bibechana-70126	422	9	express	express	VERB
bibechana-70126	422	10	androgen	androgen	NOUN
bibechana-70126	422	11	receptor	receptor	NOUN
bibechana-70126	422	12	:	:	PUNCT
bibechana-70126	422	13	implications	implication	NOUN
bibechana-70126	422	14	for	for	ADP
bibechana-70126	422	15	the	the	DET
bibechana-70126	422	16	androgen	androgen	NOUN
bibechana-70126	422	17	receptor	receptor	NOUN
bibechana-70126	422	18	functions	function	NOUN
bibechana-70126	422	19	and	and	CCONJ
bibechana-70126	422	20	regulation	regulation	NOUN
bibechana-70126	422	21	.	.	PUNCT
bibechana-70126	423	1	febs	febs	NOUN
bibechana-70126	423	2	letters	letter	NOUN
bibechana-70126	423	3	,	,	PUNCT
bibechana-70126	423	4	580(9):2294–2300	580(9):2294–2300	NUM
bibechana-70126	423	5	,	,	PUNCT
bibechana-70126	423	6	2006	2006	NUM
bibechana-70126	423	7	.	.	PUNCT
bibechana-70126	424	1	[	[	X
bibechana-70126	424	2	53	53	NUM
bibechana-70126	424	3	]	]	PUNCT
bibechana-70126	424	4	k.	k.	PROPN
bibechana-70126	424	5	fujita	fujita	PROPN
bibechana-70126	424	6	and	and	CCONJ
bibechana-70126	424	7	n.	n.	PROPN
bibechana-70126	424	8	nonomura	nonomura	PROPN
bibechana-70126	424	9	.	.	PUNCT
bibechana-70126	425	1	role	role	NOUN
bibechana-70126	425	2	of	of	ADP
bibechana-70126	425	3	androgen	androgen	NOUN
bibechana-70126	425	4	receptor	receptor	NOUN
bibechana-70126	425	5	in	in	ADP
bibechana-70126	425	6	prostate	prostate	NOUN
bibechana-70126	425	7	cancer	cancer	NOUN
bibechana-70126	425	8	:	:	PUNCT
bibechana-70126	425	9	a	a	DET
bibechana-70126	425	10	review	review	NOUN
bibechana-70126	425	11	.	.	PUNCT
bibechana-70126	426	1	world	world	PROPN
bibechana-70126	426	2	j.	j.	PROPN
bibechana-70126	426	3	mens	mens	PROPN
bibechana-70126	426	4	.	.	PUNCT
bibechana-70126	427	1	health	health	NOUN
bibechana-70126	427	2	,	,	PUNCT
bibechana-70126	427	3	37(4):288–295	37(4):288–295	NOUN
bibechana-70126	427	4	,	,	PUNCT
bibechana-70126	427	5	2019	2019	NUM
bibechana-70126	427	6	.	.	PUNCT
bibechana-70126	428	1	[	[	X
bibechana-70126	428	2	54	54	NUM
bibechana-70126	428	3	]	]	X
bibechana-70126	428	4	p.w	p.w	PROPN
bibechana-70126	428	5	.	.	PROPN
bibechana-70126	428	6	rose	rose	PROPN
bibechana-70126	428	7	,	,	PUNCT
bibechana-70126	428	8	b.	b.	PROPN
bibechana-70126	428	9	beran	beran	PROPN
bibechana-70126	428	10	,	,	PUNCT
bibechana-70126	428	11	c.	c.	PROPN
bibechana-70126	428	12	bi	bi	PROPN
bibechana-70126	428	13	,	,	PUNCT
bibechana-70126	428	14	w.f	w.f	PROPN
bibechana-70126	428	15	.	.	PROPN
bibechana-70126	428	16	bluhm	bluhm	PROPN
bibechana-70126	428	17	,	,	PUNCT
bibechana-70126	428	18	d.	d.	PROPN
bibechana-70126	428	19	dimitropoulos	dimitropoulos	PROPN
bibechana-70126	428	20	,	,	PUNCT
bibechana-70126	428	21	d.s	d.s	PROPN
bibechana-70126	428	22	.	.	PROPN
bibechana-70126	428	23	goodsell	goodsell	PROPN
bibechana-70126	428	24	,	,	PUNCT
bibechana-70126	428	25	a.	a.	PROPN
bibechana-70126	428	26	prlic	prlic	PROPN
bibechana-70126	428	27	,	,	PUNCT
bibechana-70126	428	28	m.	m.	PROPN
bibechana-70126	428	29	quesada	quesada	PROPN
bibechana-70126	428	30	,	,	PUNCT
bibechana-70126	428	31	g.b	g.b	PROPN
bibechana-70126	428	32	.	.	PROPN
bibechana-70126	428	33	quinn	quinn	PROPN
bibechana-70126	428	34	,	,	PUNCT
bibechana-70126	428	35	j.d	j.d	PROPN
bibechana-70126	428	36	.	.	PROPN
bibechana-70126	428	37	westbrook	westbrook	PROPN
bibechana-70126	428	38	,	,	PUNCT
bibechana-70126	428	39	j.	j.	PROPN
bibechana-70126	428	40	young	young	PROPN
bibechana-70126	428	41	,	,	PUNCT
bibechana-70126	428	42	b.	b.	PROPN
bibechana-70126	428	43	yukich	yukich	PROPN
bibechana-70126	428	44	,	,	PUNCT
bibechana-70126	428	45	c.	c.	PROPN
bibechana-70126	428	46	zardecki	zardecki	PROPN
bibechana-70126	428	47	,	,	PUNCT
bibechana-70126	428	48	h.m	h.m	PROPN
bibechana-70126	428	49	.	.	PROPN
bibechana-70126	428	50	berman	berman	PROPN
bibechana-70126	428	51	,	,	PUNCT
bibechana-70126	428	52	and	and	CCONJ
bibechana-70126	428	53	p.e	p.e	PROPN
bibechana-70126	428	54	.	.	PROPN
bibechana-70126	428	55	bourne	bourne	NOUN
bibechana-70126	428	56	.	.	PUNCT
bibechana-70126	429	1	the	the	DET
bibechana-70126	429	2	rcsb	rcsb	ADJ
bibechana-70126	429	3	protein	protein	NOUN
bibechana-70126	429	4	data	datum	NOUN
bibechana-70126	429	5	bank	bank	NOUN
bibechana-70126	429	6	:	:	PUNCT
bibechana-70126	429	7	redesigned	redesign	VERB
bibechana-70126	429	8	web	web	NOUN
bibechana-70126	429	9	site	site	NOUN
bibechana-70126	429	10	and	and	CCONJ
bibechana-70126	429	11	web	web	NOUN
bibechana-70126	429	12	services	service	NOUN
bibechana-70126	429	13	.	.	PUNCT
bibechana-70126	430	1	nucleic	nucleic	ADJ
bibechana-70126	430	2	acids	acid	NOUN
bibechana-70126	430	3	research	research	NOUN
bibechana-70126	430	4	,	,	PUNCT
bibechana-70126	430	5	39	39	NUM
bibechana-70126	430	6	:	:	PUNCT
bibechana-70126	430	7	d392	d392	NUM
bibechana-70126	430	8	–	–	PUNCT
bibechana-70126	430	9	d401	d401	NUM
bibechana-70126	430	10	,	,	PUNCT
bibechana-70126	430	11	2011	2011	NUM
bibechana-70126	430	12	.	.	PUNCT
bibechana-70126	431	1	introduction	introduction	NOUN
bibechana-70126	431	2	materials	material	NOUN
bibechana-70126	431	3	and	and	CCONJ
bibechana-70126	431	4	methods	method	NOUN
bibechana-70126	431	5	computational	computational	ADJ
bibechana-70126	431	6	details	detail	NOUN
bibechana-70126	431	7	results	result	NOUN
bibechana-70126	431	8	and	and	CCONJ
bibechana-70126	431	9	discussion	discussion	NOUN
bibechana-70126	431	10	geometry	geometry	NOUN
bibechana-70126	431	11	optimization	optimization	NOUN
bibechana-70126	431	12	vibrational	vibrational	NOUN
bibechana-70126	431	13	assignment	assignment	NOUN
bibechana-70126	431	14	o	o	NOUN
bibechana-70126	431	15	-	-	PROPN
bibechana-70126	431	16	h	h	ADJ
bibechana-70126	431	17	vibrations	vibration	NOUN
bibechana-70126	431	18	o	o	ADJ
bibechana-70126	431	19	-	-	NOUN
bibechana-70126	431	20	ch3	ch3	ADJ
bibechana-70126	431	21	vibrations	vibration	NOUN
bibechana-70126	431	22	vibrations	vibration	NOUN
bibechana-70126	431	23	in	in	ADP
bibechana-70126	431	24	ring	ring	NOUN
bibechana-70126	431	25	r1	r1	NOUN
bibechana-70126	431	26	vibrations	vibration	NOUN
bibechana-70126	431	27	in	in	ADP
bibechana-70126	431	28	ring	ring	NOUN
bibechana-70126	431	29	r2	r2	PROPN
bibechana-70126	431	30	vibration	vibration	NOUN
bibechana-70126	431	31	in	in	ADP
bibechana-70126	431	32	ring	ring	NOUN
bibechana-70126	431	33	r3	r3	PROPN
bibechana-70126	431	34	density	density	NOUN
bibechana-70126	431	35	of	of	ADP
bibechana-70126	431	36	states	state	NOUN
bibechana-70126	431	37	(	(	PUNCT
bibechana-70126	431	38	dos	do	NOUN
bibechana-70126	431	39	)	)	PUNCT
bibechana-70126	431	40	uv	uv	NOUN
bibechana-70126	431	41	-	-	PUNCT
bibechana-70126	431	42	v	v	NOUN
bibechana-70126	431	43	is	be	AUX
bibechana-70126	431	44	spectrum	spectrum	NOUN
bibechana-70126	431	45	and	and	CCONJ
bibechana-70126	431	46	electronic	electronic	ADJ
bibechana-70126	431	47	transition	transition	NOUN
bibechana-70126	431	48	electrostatic	electrostatic	ADJ
bibechana-70126	431	49	potential	potential	NOUN
bibechana-70126	431	50	(	(	PUNCT
bibechana-70126	431	51	esp	esp	ADJ
bibechana-70126	431	52	)	)	PUNCT
bibechana-70126	431	53	surface	surface	NOUN
bibechana-70126	431	54	analysis	analysis	NOUN
bibechana-70126	431	55	natural	natural	ADJ
bibechana-70126	431	56	population	population	NOUN
bibechana-70126	431	57	analysis	analysis	NOUN
bibechana-70126	431	58	nonlinear	nonlinear	ADJ
bibechana-70126	431	59	optical	optical	ADJ
bibechana-70126	431	60	(	(	PUNCT
bibechana-70126	431	61	nlo	nlo	PROPN
bibechana-70126	431	62	)	)	PUNCT
bibechana-70126	431	63	properties	property	NOUN
bibechana-70126	431	64	admet	admet	VERB
bibechana-70126	431	65	properties	property	NOUN
bibechana-70126	431	66	analysis	analysis	VERB
bibechana-70126	431	67	molecular	molecular	ADJ
bibechana-70126	431	68	docking	docking	NOUN
bibechana-70126	431	69	conclusion	conclusion	NOUN