id	sid	tid	token	lemma	pos
bibechana-74596	1	1	bibechana	bibechana	PROPN
bibechana-74596	1	2	vol	vol	NOUN
bibechana-74596	1	3	.	.	PROPN
bibechana-74596	2	1	22	22	NUM
bibechana-74596	2	2	,	,	PUNCT
bibechana-74596	2	3	no	no	INTJ
bibechana-74596	2	4	.	.	NOUN
bibechana-74596	2	5	3	3	NUM
bibechana-74596	2	6	,	,	PUNCT
bibechana-74596	2	7	december	december	PROPN
bibechana-74596	2	8	2025	2025	NUM
bibechana-74596	2	9	,	,	PUNCT
bibechana-74596	2	10	205	205	NUM
bibechana-74596	2	11	-	-	SYM
bibechana-74596	2	12	214	214	NUM
bibechana-74596	2	13	issn	issn	PROPN
bibechana-74596	2	14	2091	2091	NUM
bibechana-74596	2	15	-	-	SYM
bibechana-74596	2	16	0762	0762	NUM
bibechana-74596	2	17	(	(	PUNCT
bibechana-74596	2	18	print	print	NOUN
bibechana-74596	2	19	)	)	PUNCT
bibechana-74596	2	20	,	,	PUNCT
bibechana-74596	2	21	2382	2382	NUM
bibechana-74596	2	22	-	-	SYM
bibechana-74596	2	23	5340	5340	NUM
bibechana-74596	2	24	(	(	PUNCT
bibechana-74596	2	25	online	online	ADJ
bibechana-74596	2	26	)	)	PUNCT
bibechana-74596	2	27	journal	journal	NOUN
bibechana-74596	2	28	homepage	homepage	NOUN
bibechana-74596	2	29	:	:	PUNCT
bibechana-74596	2	30	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-74596	2	31	publisher	publisher	NOUN
bibechana-74596	2	32	:	:	PUNCT
bibechana-74596	2	33	dept	dept	NOUN
bibechana-74596	2	34	.	.	PROPN
bibechana-74596	2	35	of	of	ADP
bibechana-74596	2	36	phys	phy	NOUN
bibechana-74596	2	37	.	.	PUNCT
bibechana-74596	2	38	,	,	PUNCT
bibechana-74596	2	39	mahendra	mahendra	PROPN
bibechana-74596	2	40	morang	morang	PROPN
bibechana-74596	2	41	a.	a.	PROPN
bibechana-74596	2	42	m.	m.	PROPN
bibechana-74596	2	43	campus	campus	PROPN
bibechana-74596	2	44	(	(	PUNCT
bibechana-74596	2	45	tribhuvan	tribhuvan	NOUN
bibechana-74596	2	46	university)biratnagar	university)biratnagar	NUM
bibechana-74596	2	47	hydrogen	hydrogen	NOUN
bibechana-74596	2	48	bonding	bonding	NOUN
bibechana-74596	2	49	,	,	PUNCT
bibechana-74596	2	50	spectroscopic	spectroscopic	NOUN
bibechana-74596	2	51	(	(	PUNCT
bibechana-74596	2	52	ft	ft	NOUN
bibechana-74596	2	53	-	-	PUNCT
bibechana-74596	2	54	ir	ir	NOUN
bibechana-74596	2	55	and	and	CCONJ
bibechana-74596	2	56	ft	ft	NOUN
bibechana-74596	2	57	-	-	PUNCT
bibechana-74596	2	58	raman	raman	NOUN
bibechana-74596	2	59	)	)	PUNCT
bibechana-74596	2	60	,	,	PUNCT
bibechana-74596	2	61	uv	uv	NOUN
bibechana-74596	2	62	-	-	PUNCT
bibechana-74596	2	63	vis	vis	X
bibechana-74596	2	64	,	,	PUNCT
bibechana-74596	2	65	and	and	CCONJ
bibechana-74596	2	66	mulliken	mulliken	NOUN
bibechana-74596	2	67	charge	charge	NOUN
bibechana-74596	2	68	analysis	analysis	NOUN
bibechana-74596	2	69	of	of	ADP
bibechana-74596	2	70	guanosine-5	guanosine-5	PROPN
bibechana-74596	2	71	-diphosphate	-diphosphate	NOUN
bibechana-74596	2	72	:	:	PUNCT
bibechana-74596	2	73	insight	insight	NOUN
bibechana-74596	2	74	from	from	ADP
bibechana-74596	2	75	dft	dft	PROPN
bibechana-74596	2	76	and	and	CCONJ
bibechana-74596	2	77	molecular	molecular	ADJ
bibechana-74596	2	78	docking	docking	NOUN
bibechana-74596	2	79	manoj	manoj	PROPN
bibechana-74596	2	80	kumar	kumar	PROPN
bibechana-74596	2	81	chaudhary1	chaudhary1	PROPN
bibechana-74596	2	82	,	,	PUNCT
bibechana-74596	2	83	tarun	tarun	PROPN
bibechana-74596	2	84	chaudhary2	chaudhary2	PROPN
bibechana-74596	2	85	,	,	PUNCT
bibechana-74596	2	86	bhawani	bhawani	PROPN
bibechana-74596	2	87	datt	datt	PROPN
bibechana-74596	2	88	joshi3	joshi3	PROPN
bibechana-74596	3	1	gulab	gulab	PROPN
bibechana-74596	3	2	singh	singh	PROPN
bibechana-74596	3	3	verma4	verma4	PROPN
bibechana-74596	3	4	,	,	PUNCT
bibechana-74596	3	5	rajesh	rajesh	PROPN
bibechana-74596	3	6	kumar	kumar	PROPN
bibechana-74596	3	7	shukla4	shukla4	PROPN
bibechana-74596	3	8	,	,	PUNCT
bibechana-74596	3	9	tirth	tirth	NOUN
bibechana-74596	3	10	raj	raj	PROPN
bibechana-74596	3	11	paneru5,6,∗	paneru5,6,∗	PROPN
bibechana-74596	3	12	1department	1department	NUM
bibechana-74596	3	13	of	of	ADP
bibechana-74596	3	14	physics	physics	PROPN
bibechana-74596	3	15	,	,	PUNCT
bibechana-74596	3	16	tribhuvan	tribhuvan	PROPN
bibechana-74596	3	17	university	university	PROPN
bibechana-74596	3	18	,	,	PUNCT
bibechana-74596	3	19	amrit	amrit	PROPN
bibechana-74596	3	20	campus	campus	PROPN
bibechana-74596	3	21	,	,	PUNCT
bibechana-74596	3	22	institute	institute	NOUN
bibechana-74596	3	23	of	of	ADP
bibechana-74596	3	24	science	science	NOUN
bibechana-74596	3	25	and	and	CCONJ
bibechana-74596	3	26	technology	technology	NOUN
bibechana-74596	3	27	,	,	PUNCT
bibechana-74596	3	28	kathmandu	kathmandu	NOUN
bibechana-74596	3	29	44600,nepal	44600,nepal	PROPN
bibechana-74596	3	30	2department	2department	NUM
bibechana-74596	3	31	of	of	ADP
bibechana-74596	3	32	physics	physics	PROPN
bibechana-74596	3	33	,	,	PUNCT
bibechana-74596	3	34	bageshwari	bageshwari	NOUN
bibechana-74596	3	35	multiple	multiple	ADJ
bibechana-74596	3	36	campus	campus	NOUN
bibechana-74596	3	37	,	,	PUNCT
bibechana-74596	3	38	mid	mid	PROPN
bibechana-74596	3	39	-	-	PROPN
bibechana-74596	3	40	west	west	ADJ
bibechana-74596	3	41	university	university	NOUN
bibechana-74596	3	42	,	,	PUNCT
bibechana-74596	3	43	kohalpur	kohalpur	NOUN
bibechana-74596	3	44	,	,	PUNCT
bibechana-74596	3	45	21900	21900	NUM
bibechana-74596	3	46	,	,	PUNCT
bibechana-74596	3	47	nepal	nepal	PROPN
bibechana-74596	3	48	3department	3department	NUM
bibechana-74596	3	49	of	of	ADP
bibechana-74596	3	50	physics	physics	PROPN
bibechana-74596	3	51	,	,	PUNCT
bibechana-74596	3	52	tribhuvan	tribhuvan	PROPN
bibechana-74596	3	53	university	university	PROPN
bibechana-74596	3	54	,	,	PUNCT
bibechana-74596	3	55	siddhanath	siddhanath	NOUN
bibechana-74596	3	56	science	science	NOUN
bibechana-74596	3	57	campus	campus	PROPN
bibechana-74596	3	58	,	,	PUNCT
bibechana-74596	3	59	mahendranagar	mahendranagar	NOUN
bibechana-74596	3	60	,	,	PUNCT
bibechana-74596	3	61	10400	10400	NUM
bibechana-74596	3	62	,	,	PUNCT
bibechana-74596	3	63	nepal	nepal	NOUN
bibechana-74596	3	64	4department	4department	NUM
bibechana-74596	3	65	of	of	ADP
bibechana-74596	3	66	physics	physics	PROPN
bibechana-74596	3	67	,	,	PUNCT
bibechana-74596	3	68	university	university	PROPN
bibechana-74596	3	69	of	of	ADP
bibechana-74596	3	70	lucknow	lucknow	PROPN
bibechana-74596	3	71	,	,	PUNCT
bibechana-74596	3	72	lucknow-226007	lucknow-226007	PROPN
bibechana-74596	3	73	,	,	PUNCT
bibechana-74596	3	74	india	india	PROPN
bibechana-74596	3	75	5central	5central	PROPN
bibechana-74596	3	76	department	department	NOUN
bibechana-74596	3	77	of	of	ADP
bibechana-74596	3	78	general	general	ADJ
bibechana-74596	3	79	science	science	NOUN
bibechana-74596	3	80	,	,	PUNCT
bibechana-74596	3	81	far	far	ADV
bibechana-74596	3	82	western	western	ADJ
bibechana-74596	3	83	university	university	NOUN
bibechana-74596	3	84	,	,	PUNCT
bibechana-74596	3	85	mahendranagar	mahendranagar	NOUN
bibechana-74596	3	86	,	,	PUNCT
bibechana-74596	3	87	10400	10400	NUM
bibechana-74596	3	88	,	,	PUNCT
bibechana-74596	3	89	nepal	nepal	ADJ
bibechana-74596	3	90	6central	6central	NUM
bibechana-74596	3	91	department	department	NOUN
bibechana-74596	3	92	of	of	ADP
bibechana-74596	3	93	physics	physics	PROPN
bibechana-74596	3	94	,	,	PUNCT
bibechana-74596	3	95	tribhuvan	tribhuvan	PROPN
bibechana-74596	3	96	university	university	PROPN
bibechana-74596	3	97	,	,	PUNCT
bibechana-74596	3	98	kathmandu	kathmandu	NOUN
bibechana-74596	3	99	,	,	PUNCT
bibechana-74596	3	100	nepal	nepal	ADJ
bibechana-74596	3	101	∗corresponding	∗corresponde	VERB
bibechana-74596	3	102	author	author	NOUN
bibechana-74596	3	103	.	.	PUNCT
bibechana-74596	4	1	email	email	NOUN
bibechana-74596	4	2	:	:	PUNCT
bibechana-74596	4	3	tirthpaneru2015@gmail.com	tirthpaneru2015@gmail.com	X
bibechana-74596	5	1	abstract	abstract	ADJ
bibechana-74596	5	2	hybrid	hybrid	ADJ
bibechana-74596	5	3	functional	functional	ADJ
bibechana-74596	5	4	b3lyp	b3lyp	X
bibechana-74596	5	5	has	have	AUX
bibechana-74596	5	6	been	be	AUX
bibechana-74596	5	7	used	use	VERB
bibechana-74596	5	8	for	for	ADP
bibechana-74596	5	9	quantum	quantum	ADJ
bibechana-74596	5	10	chemical	chemical	NOUN
bibechana-74596	5	11	calculation	calculation	NOUN
bibechana-74596	5	12	of	of	ADP
bibechana-74596	5	13	guanosine-5	guanosine-5	PROPN
bibechana-74596	5	14	-diphosphate	-diphosphate	NOUN
bibechana-74596	5	15	(	(	PUNCT
bibechana-74596	5	16	gdp	gdp	NOUN
bibechana-74596	5	17	)	)	PUNCT
bibechana-74596	5	18	from	from	ADP
bibechana-74596	5	19	dft	dft	PROPN
bibechana-74596	5	20	approach	approach	NOUN
bibechana-74596	5	21	.	.	PUNCT
bibechana-74596	6	1	the	the	DET
bibechana-74596	6	2	intra	intra	ADJ
bibechana-74596	6	3	-	-	ADJ
bibechana-74596	6	4	molecular	molecular	ADJ
bibechana-74596	6	5	hydrogen	hydrogen	NOUN
bibechana-74596	6	6	bonding	bonding	NOUN
bibechana-74596	6	7	in	in	ADP
bibechana-74596	6	8	the	the	DET
bibechana-74596	6	9	title	title	NOUN
bibechana-74596	6	10	molecule	molecule	NOUN
bibechana-74596	6	11	was	be	AUX
bibechana-74596	6	12	rendered	render	VERB
bibechana-74596	6	13	from	from	ADP
bibechana-74596	6	14	quantum	quantum	ADJ
bibechana-74596	6	15	theory	theory	NOUN
bibechana-74596	6	16	of	of	ADP
bibechana-74596	6	17	atoms	atom	NOUN
bibechana-74596	6	18	in	in	ADP
bibechana-74596	6	19	molecule	molecule	NOUN
bibechana-74596	6	20	(	(	PUNCT
bibechana-74596	6	21	qtaim	qtaim	NOUN
bibechana-74596	6	22	)	)	PUNCT
bibechana-74596	6	23	.	.	PUNCT
bibechana-74596	7	1	the	the	DET
bibechana-74596	7	2	vibrations	vibration	NOUN
bibechana-74596	7	3	of	of	ADP
bibechana-74596	7	4	different	different	ADJ
bibechana-74596	7	5	functional	functional	ADJ
bibechana-74596	7	6	groups	group	NOUN
bibechana-74596	7	7	of	of	ADP
bibechana-74596	7	8	the	the	DET
bibechana-74596	7	9	gdp	gdp	NOUN
bibechana-74596	7	10	have	have	AUX
bibechana-74596	7	11	been	be	AUX
bibechana-74596	7	12	examined	examine	VERB
bibechana-74596	7	13	theoretically	theoretically	ADV
bibechana-74596	7	14	from	from	ADP
bibechana-74596	7	15	ft	ft	PROPN
bibechana-74596	7	16	-	-	PUNCT
bibechana-74596	7	17	ir	ir	NOUN
bibechana-74596	7	18	and	and	CCONJ
bibechana-74596	7	19	ft	ft	NOUN
bibechana-74596	7	20	-	-	PUNCT
bibechana-74596	7	21	raman	raman	NOUN
bibechana-74596	7	22	calculation	calculation	NOUN
bibechana-74596	7	23	.	.	PUNCT
bibechana-74596	8	1	the	the	DET
bibechana-74596	8	2	electrostatic	electrostatic	ADJ
bibechana-74596	8	3	potential	potential	NOUN
bibechana-74596	8	4	(	(	PUNCT
bibechana-74596	8	5	esp	esp	ADJ
bibechana-74596	8	6	)	)	PUNCT
bibechana-74596	8	7	surface	surface	NOUN
bibechana-74596	8	8	revealed	reveal	VERB
bibechana-74596	8	9	that	that	SCONJ
bibechana-74596	8	10	the	the	DET
bibechana-74596	8	11	maximum	maximum	ADJ
bibechana-74596	8	12	positive	positive	ADJ
bibechana-74596	8	13	potential	potential	NOUN
bibechana-74596	8	14	is	be	AUX
bibechana-74596	8	15	attributed	attribute	VERB
bibechana-74596	8	16	to	to	ADP
bibechana-74596	8	17	h4	h4	NOUN
bibechana-74596	8	18	,	,	PUNCT
bibechana-74596	8	19	and	and	CCONJ
bibechana-74596	8	20	the	the	DET
bibechana-74596	8	21	highest	high	ADJ
bibechana-74596	8	22	negative	negative	ADJ
bibechana-74596	8	23	potential	potential	ADJ
bibechana-74596	8	24	corresponds	correspond	NOUN
bibechana-74596	8	25	to	to	ADP
bibechana-74596	8	26	o31	o31	NOUN
bibechana-74596	8	27	,	,	PUNCT
bibechana-74596	8	28	predicting	predict	VERB
bibechana-74596	8	29	the	the	DET
bibechana-74596	8	30	sites	site	NOUN
bibechana-74596	8	31	for	for	ADP
bibechana-74596	8	32	the	the	DET
bibechana-74596	8	33	intermolecular	intermolecular	ADJ
bibechana-74596	8	34	hydrogen	hydrogen	NOUN
bibechana-74596	8	35	bonding	bonding	NOUN
bibechana-74596	8	36	in	in	ADP
bibechana-74596	8	37	the	the	DET
bibechana-74596	8	38	crystal	crystal	NOUN
bibechana-74596	8	39	packing	packing	NOUN
bibechana-74596	8	40	of	of	ADP
bibechana-74596	8	41	the	the	DET
bibechana-74596	8	42	title	title	NOUN
bibechana-74596	8	43	compound	compound	NOUN
bibechana-74596	8	44	.	.	PUNCT
bibechana-74596	9	1	the	the	DET
bibechana-74596	9	2	theoretical	theoretical	ADJ
bibechana-74596	9	3	uv	uv	NOUN
bibechana-74596	9	4	-	-	PUNCT
bibechana-74596	9	5	vis	vis	X
bibechana-74596	9	6	spectrum	spectrum	NOUN
bibechana-74596	9	7	is	be	AUX
bibechana-74596	9	8	used	use	VERB
bibechana-74596	9	9	to	to	PART
bibechana-74596	9	10	calculate	calculate	VERB
bibechana-74596	9	11	the	the	DET
bibechana-74596	9	12	excitation	excitation	NOUN
bibechana-74596	9	13	energy	energy	NOUN
bibechana-74596	9	14	as	as	ADV
bibechana-74596	9	15	well	well	ADV
bibechana-74596	9	16	as	as	ADP
bibechana-74596	9	17	excitation	excitation	NOUN
bibechana-74596	9	18	state	state	NOUN
bibechana-74596	9	19	of	of	ADP
bibechana-74596	9	20	dgp	dgp	NOUN
bibechana-74596	9	21	.	.	PUNCT
bibechana-74596	10	1	the	the	DET
bibechana-74596	10	2	binding	bind	VERB
bibechana-74596	10	3	affinity	affinity	NOUN
bibechana-74596	10	4	of	of	ADP
bibechana-74596	10	5	gdp	gdp	NOUN
bibechana-74596	10	6	with	with	ADP
bibechana-74596	10	7	ras	ra	VERB
bibechana-74596	10	8	-	-	ADJ
bibechana-74596	10	9	related	relate	VERB
bibechana-74596	10	10	c3	c3	NOUN
bibechana-74596	10	11	botulinum	botulinum	ADJ
bibechana-74596	10	12	toxin	toxin	NOUN
bibechana-74596	10	13	substrate	substrate	NOUN
bibechana-74596	10	14	1	1	NUM
bibechana-74596	10	15	(	(	PUNCT
bibechana-74596	10	16	rac1	rac1	NOUN
bibechana-74596	10	17	)	)	PUNCT
bibechana-74596	10	18	protein	protein	NOUN
bibechana-74596	10	19	is	be	AUX
bibechana-74596	10	20	calculated	calculate	VERB
bibechana-74596	10	21	from	from	ADP
bibechana-74596	10	22	molecular	molecular	ADJ
bibechana-74596	10	23	docking	docking	NOUN
bibechana-74596	10	24	approach	approach	NOUN
bibechana-74596	10	25	.	.	PUNCT
bibechana-74596	11	1	the	the	DET
bibechana-74596	11	2	inhibition	inhibition	NOUN
bibechana-74596	11	3	constant	constant	ADJ
bibechana-74596	11	4	of	of	ADP
bibechana-74596	11	5	2p2l	2p2l	NUM
bibechana-74596	11	6	is	be	AUX
bibechana-74596	11	7	less	less	ADJ
bibechana-74596	11	8	than	than	ADP
bibechana-74596	11	9	that	that	PRON
bibechana-74596	11	10	of	of	ADP
bibechana-74596	11	11	2h7v	2h7v	NOUN
bibechana-74596	11	12	;	;	PUNCT
bibechana-74596	11	13	hence	hence	ADV
bibechana-74596	11	14	,	,	PUNCT
bibechana-74596	11	15	the	the	DET
bibechana-74596	11	16	title	title	NOUN
bibechana-74596	11	17	compound	compound	NOUN
bibechana-74596	11	18	is	be	AUX
bibechana-74596	11	19	a	a	DET
bibechana-74596	11	20	good	good	ADJ
bibechana-74596	11	21	inhibitor	inhibitor	NOUN
bibechana-74596	11	22	of	of	ADP
bibechana-74596	11	23	2p2l	2p2l	NUM
bibechana-74596	11	24	.	.	PUNCT
bibechana-74596	12	1	keywords	keyword	NOUN
bibechana-74596	12	2	guanosine-5	guanosine-5	PRON
bibechana-74596	12	3	-diphosphate	-diphosphate	NOUN
bibechana-74596	12	4	(	(	PUNCT
bibechana-74596	12	5	gdp	gdp	NOUN
bibechana-74596	12	6	)	)	PUNCT
bibechana-74596	12	7	;	;	PUNCT
bibechana-74596	12	8	aim	aim	VERB
bibechana-74596	12	9	;	;	PUNCT
bibechana-74596	12	10	ft	ft	X
bibechana-74596	12	11	-	-	PUNCT
bibechana-74596	12	12	ir	ir	PROPN
bibechana-74596	12	13	;	;	PUNCT
bibechana-74596	12	14	ft	ft	NOUN
bibechana-74596	12	15	-	-	PUNCT
bibechana-74596	12	16	raman	raman	NOUN
bibechana-74596	12	17	;	;	PUNCT
bibechana-74596	12	18	molecular	molecular	ADJ
bibechana-74596	12	19	docking	docking	NOUN
bibechana-74596	12	20	.	.	PUNCT
bibechana-74596	13	1	article	article	NOUN
bibechana-74596	13	2	information	information	PROPN
bibechana-74596	13	3	manuscript	manuscript	PROPN
bibechana-74596	13	4	received	receive	VERB
bibechana-74596	13	5	:	:	PUNCT
bibechana-74596	13	6	january	january	PROPN
bibechana-74596	13	7	25	25	NUM
bibechana-74596	13	8	,	,	PUNCT
bibechana-74596	13	9	2025	2025	NUM
bibechana-74596	13	10	;	;	PUNCT
bibechana-74596	13	11	revised	revise	VERB
bibechana-74596	13	12	june	june	PROPN
bibechana-74596	13	13	1	1	NUM
bibechana-74596	13	14	,	,	PUNCT
bibechana-74596	13	15	2025	2025	NUM
bibechana-74596	13	16	;	;	PUNCT
bibechana-74596	13	17	accepted	accept	VERB
bibechana-74596	13	18	:	:	PUNCT
bibechana-74596	13	19	july	july	PROPN
bibechana-74596	13	20	26	26	NUM
bibechana-74596	13	21	,	,	PUNCT
bibechana-74596	13	22	2025	2025	NUM
bibechana-74596	13	23	doi	doi	X
bibechana-74596	13	24	https://doi.org/10.3126/bibechana.v22i3.74596	https://doi.org/10.3126/bibechana.v22i3.74596	X
bibechana-74596	13	25	this	this	DET
bibechana-74596	13	26	work	work	NOUN
bibechana-74596	13	27	is	be	AUX
bibechana-74596	13	28	licensed	license	VERB
bibechana-74596	13	29	under	under	ADP
bibechana-74596	13	30	the	the	DET
bibechana-74596	13	31	creative	creative	ADJ
bibechana-74596	13	32	commons	common	NOUN
bibechana-74596	13	33	cc	cc	ADP
bibechana-74596	13	34	by	by	ADP
bibechana-74596	13	35	-	-	PUNCT
bibechana-74596	13	36	nc	nc	NOUN
bibechana-74596	13	37	license	license	NOUN
bibechana-74596	13	38	.	.	PUNCT
bibechana-74596	14	1	https://creativecommons	https://creativecommon	NOUN
bibechana-74596	14	2	.	.	PUNCT
bibechana-74596	14	3	org	org	ADJ
bibechana-74596	14	4	/	/	SYM
bibechana-74596	14	5	licenses	license	NOUN
bibechana-74596	14	6	/	/	SYM
bibechana-74596	14	7	by	by	ADP
bibechana-74596	14	8	-	-	PUNCT
bibechana-74596	14	9	nc/4.0/	nc/4.0/	NOUN
bibechana-74596	14	10	205	205	NUM
bibechana-74596	14	11	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	NOUN
bibechana-74596	14	12	tirthpaneru2015@gmail.com	tirthpaneru2015@gmail.com	X
bibechana-74596	14	13	https://doi.org/10.3126/bibechana.v22i3.74596	https://doi.org/10.3126/bibechana.v22i3.74596	X
bibechana-74596	14	14	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	ADP
bibechana-74596	14	15	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-74596	14	16	manoj	manoj	PROPN
bibechana-74596	14	17	kumar	kumar	PROPN
bibechana-74596	14	18	chaudhary	chaudhary	PROPN
bibechana-74596	14	19	et	et	PROPN
bibechana-74596	14	20	al./	al./	ADV
bibechana-74596	14	21	bibechana	bibechana	PROPN
bibechana-74596	14	22	22	22	NUM
bibechana-74596	14	23	(	(	PUNCT
bibechana-74596	14	24	2025	2025	NUM
bibechana-74596	14	25	)	)	PUNCT
bibechana-74596	14	26	205	205	NUM
bibechana-74596	14	27	-	-	SYM
bibechana-74596	14	28	214	214	NUM
bibechana-74596	14	29	206	206	NUM
bibechana-74596	14	30	1	1	NUM
bibechana-74596	14	31	introduction	introduction	NOUN
bibechana-74596	14	32	guanosine	guanosine	NOUN
bibechana-74596	14	33	is	be	AUX
bibechana-74596	14	34	a	a	DET
bibechana-74596	14	35	purine	purine	NOUN
bibechana-74596	14	36	nucleoside	nucleoside	NOUN
bibechana-74596	14	37	with	with	ADP
bibechana-74596	14	38	neuroprotective	neuroprotective	ADJ
bibechana-74596	14	39	properties	property	NOUN
bibechana-74596	14	40	,	,	PUNCT
bibechana-74596	14	41	particularly	particularly	ADV
bibechana-74596	14	42	in	in	ADP
bibechana-74596	14	43	ischemic	ischemic	ADJ
bibechana-74596	14	44	stroke	stroke	NOUN
bibechana-74596	14	45	,	,	PUNCT
bibechana-74596	14	46	spinal	spinal	ADJ
bibechana-74596	14	47	cord	cord	NOUN
bibechana-74596	14	48	injury	injury	NOUN
bibechana-74596	14	49	,	,	PUNCT
bibechana-74596	14	50	and	and	CCONJ
bibechana-74596	14	51	depression	depression	NOUN
bibechana-74596	14	52	.	.	PUNCT
bibechana-74596	15	1	it	it	PRON
bibechana-74596	15	2	also	also	ADV
bibechana-74596	15	3	reduces	reduce	VERB
bibechana-74596	15	4	neuro	neuro	NOUN
bibechana-74596	15	5	-	-	PUNCT
bibechana-74596	15	6	inflammation	inflammation	NOUN
bibechana-74596	15	7	and	and	CCONJ
bibechana-74596	15	8	oxidative	oxidative	ADJ
bibechana-74596	15	9	stress	stress	NOUN
bibechana-74596	15	10	[	[	X
bibechana-74596	15	11	1	1	NUM
bibechana-74596	15	12	]	]	PUNCT
bibechana-74596	15	13	.	.	PUNCT
bibechana-74596	16	1	the	the	DET
bibechana-74596	16	2	nucleotides	nucleotide	NOUN
bibechana-74596	16	3	guanosine	guanosine	VERB
bibechana-74596	16	4	5	5	NUM
bibechana-74596	16	5	-	-	PUNCT
bibechana-74596	16	6	monophosphate	monophosphate	NOUN
bibechana-74596	16	7	(	(	PUNCT
bibechana-74596	16	8	gmp	gmp	PROPN
bibechana-74596	16	9	)	)	PUNCT
bibechana-74596	16	10	,	,	PUNCT
bibechana-74596	16	11	guanosine	guanosine	VERB
bibechana-74596	16	12	5	5	NUM
bibechana-74596	16	13	-	-	PUNCT
bibechana-74596	16	14	diphosphate	diphosphate	ADJ
bibechana-74596	16	15	(	(	PUNCT
bibechana-74596	16	16	gdp	gdp	NOUN
bibechana-74596	16	17	)	)	PUNCT
bibechana-74596	16	18	,	,	PUNCT
bibechana-74596	16	19	and	and	CCONJ
bibechana-74596	16	20	guanosine	guanosine	VERB
bibechana-74596	16	21	5	5	NUM
bibechana-74596	16	22	-	-	PUNCT
bibechana-74596	16	23	triphosphate	triphosphate	NOUN
bibechana-74596	16	24	(	(	PUNCT
bibechana-74596	16	25	gtp	gtp	NOUN
bibechana-74596	16	26	)	)	PUNCT
bibechana-74596	16	27	are	be	AUX
bibechana-74596	16	28	the	the	DET
bibechana-74596	16	29	basis	basis	NOUN
bibechana-74596	16	30	of	of	ADP
bibechana-74596	16	31	guanine	guanine	NOUN
bibechana-74596	16	32	-	-	PUNCT
bibechana-74596	16	33	based	base	VERB
bibechana-74596	16	34	purines	purine	NOUN
bibechana-74596	16	35	(	(	PUNCT
bibechana-74596	16	36	gbps	gbps	PROPN
bibechana-74596	16	37	)	)	PUNCT
bibechana-74596	16	38	.	.	PUNCT
bibechana-74596	17	1	ecto	ecto	NOUN
bibechana-74596	17	2	-	-	PUNCT
bibechana-74596	17	3	nucleotidases	nucleotidase	NOUN
bibechana-74596	17	4	can	can	AUX
bibechana-74596	17	5	convert	convert	VERB
bibechana-74596	17	6	these	these	DET
bibechana-74596	17	7	nucleotides	nucleotide	NOUN
bibechana-74596	17	8	into	into	ADP
bibechana-74596	17	9	guanosine	guanosine	NOUN
bibechana-74596	17	10	[	[	X
bibechana-74596	17	11	2	2	NUM
bibechana-74596	17	12	]	]	PUNCT
bibechana-74596	17	13	.	.	PUNCT
bibechana-74596	18	1	gdp	gdp	NOUN
bibechana-74596	18	2	is	be	AUX
bibechana-74596	18	3	nucleotides	nucleotide	NOUN
bibechana-74596	18	4	made	make	VERB
bibechana-74596	18	5	up	up	ADP
bibechana-74596	18	6	of	of	ADP
bibechana-74596	18	7	guanine	guanine	NOUN
bibechana-74596	18	8	,	,	PUNCT
bibechana-74596	18	9	ribose	ribose	NOUN
bibechana-74596	18	10	and	and	CCONJ
bibechana-74596	18	11	two	two	NUM
bibechana-74596	18	12	phosphate	phosphate	ADJ
bibechana-74596	18	13	groups	group	NOUN
bibechana-74596	18	14	[	[	X
bibechana-74596	18	15	3	3	NUM
bibechana-74596	18	16	]	]	PUNCT
bibechana-74596	18	17	.	.	PUNCT
bibechana-74596	19	1	it	it	PRON
bibechana-74596	19	2	has	have	VERB
bibechana-74596	19	3	wide	wide	ADJ
bibechana-74596	19	4	applications	application	NOUN
bibechana-74596	19	5	in	in	ADP
bibechana-74596	19	6	biological	biological	ADJ
bibechana-74596	19	7	activity	activity	NOUN
bibechana-74596	19	8	like	like	ADP
bibechana-74596	19	9	:	:	PUNCT
bibechana-74596	19	10	cellular	cellular	ADJ
bibechana-74596	19	11	signaling	signaling	NOUN
bibechana-74596	19	12	and	and	CCONJ
bibechana-74596	19	13	metabolism	metabolism	NOUN
bibechana-74596	19	14	.	.	PUNCT
bibechana-74596	20	1	gdp	gdp	NOUN
bibechana-74596	20	2	is	be	AUX
bibechana-74596	20	3	formed	form	VERB
bibechana-74596	20	4	due	due	ADP
bibechana-74596	20	5	to	to	ADP
bibechana-74596	20	6	hydrolysis	hydrolysis	NOUN
bibechana-74596	20	7	of	of	ADP
bibechana-74596	20	8	guanosine	guanosine	ADJ
bibechana-74596	20	9	triphosphate	triphosphate	NOUN
bibechana-74596	20	10	(	(	PUNCT
bibechana-74596	20	11	gtp	gtp	NOUN
bibechana-74596	20	12	)	)	PUNCT
bibechana-74596	20	13	and	and	CCONJ
bibechana-74596	20	14	there	there	PRON
bibechana-74596	20	15	is	be	VERB
bibechana-74596	20	16	the	the	DET
bibechana-74596	20	17	evolution	evolution	NOUN
bibechana-74596	20	18	of	of	ADP
bibechana-74596	20	19	energy	energy	NOUN
bibechana-74596	20	20	which	which	PRON
bibechana-74596	20	21	is	be	AUX
bibechana-74596	20	22	used	use	VERB
bibechana-74596	20	23	in	in	ADP
bibechana-74596	20	24	cellular	cellular	ADJ
bibechana-74596	20	25	processes	process	NOUN
bibechana-74596	20	26	.	.	PUNCT
bibechana-74596	21	1	moreover	moreover	ADV
bibechana-74596	21	2	,	,	PUNCT
bibechana-74596	21	3	gdp	gdp	NOUN
bibechana-74596	21	4	take	take	VERB
bibechana-74596	21	5	part	part	NOUN
bibechana-74596	21	6	in	in	ADP
bibechana-74596	21	7	the	the	DET
bibechana-74596	21	8	conversion	conversion	NOUN
bibechana-74596	21	9	of	of	ADP
bibechana-74596	21	10	succinyl	succinyl	NOUN
bibechana-74596	21	11	-	-	PUNCT
bibechana-74596	21	12	coa	coa	NOUN
bibechana-74596	21	13	to	to	PART
bibechana-74596	21	14	succinate	succinate	VERB
bibechana-74596	21	15	and	and	CCONJ
bibechana-74596	21	16	there	there	PRON
bibechana-74596	21	17	is	be	VERB
bibechana-74596	21	18	the	the	DET
bibechana-74596	21	19	production	production	NOUN
bibechana-74596	21	20	of	of	ADP
bibechana-74596	21	21	energy	energy	NOUN
bibechana-74596	21	22	[	[	X
bibechana-74596	21	23	4	4	NUM
bibechana-74596	21	24	]	]	PUNCT
bibechana-74596	21	25	.	.	PUNCT
bibechana-74596	22	1	when	when	SCONJ
bibechana-74596	22	2	gdp	gdp	NOUN
bibechana-74596	22	3	is	be	AUX
bibechana-74596	22	4	changed	change	VERB
bibechana-74596	22	5	into	into	ADP
bibechana-74596	22	6	gtp	gtp	NOUN
bibechana-74596	22	7	due	due	ADP
bibechana-74596	22	8	to	to	ADP
bibechana-74596	22	9	activation	activation	NOUN
bibechana-74596	22	10	of	of	ADP
bibechana-74596	22	11	g	g	NOUN
bibechana-74596	22	12	-	-	PUNCT
bibechana-74596	22	13	proteins	protein	NOUN
bibechana-74596	22	14	then	then	ADV
bibechana-74596	22	15	signals	signal	NOUN
bibechana-74596	22	16	are	be	AUX
bibechana-74596	22	17	transmitted	transmit	VERB
bibechana-74596	22	18	into	into	ADP
bibechana-74596	22	19	the	the	DET
bibechana-74596	22	20	cell	cell	NOUN
bibechana-74596	22	21	.	.	PUNCT
bibechana-74596	23	1	gdp	gdp	NOUN
bibechana-74596	23	2	has	have	VERB
bibechana-74596	23	3	crucial	crucial	ADJ
bibechana-74596	23	4	role	role	NOUN
bibechana-74596	23	5	to	to	PART
bibechana-74596	23	6	maintain	maintain	VERB
bibechana-74596	23	7	the	the	DET
bibechana-74596	23	8	cell	cell	NOUN
bibechana-74596	23	9	structure	structure	NOUN
bibechana-74596	23	10	as	as	ADV
bibechana-74596	23	11	well	well	ADV
bibechana-74596	23	12	as	as	SCONJ
bibechana-74596	23	13	it	it	PRON
bibechana-74596	23	14	is	be	AUX
bibechana-74596	23	15	involved	involve	VERB
bibechana-74596	23	16	in	in	ADP
bibechana-74596	23	17	intracellular	intracellular	ADJ
bibechana-74596	23	18	transport	transport	NOUN
bibechana-74596	23	19	properties	property	NOUN
bibechana-74596	23	20	by	by	ADP
bibechana-74596	23	21	the	the	DET
bibechana-74596	23	22	formation	formation	NOUN
bibechana-74596	23	23	and	and	CCONJ
bibechana-74596	23	24	deformation	deformation	NOUN
bibechana-74596	23	25	of	of	ADP
bibechana-74596	23	26	microtubules	microtubule	NOUN
bibechana-74596	23	27	[	[	X
bibechana-74596	23	28	5	5	NUM
bibechana-74596	23	29	,	,	PUNCT
bibechana-74596	23	30	6	6	NUM
bibechana-74596	23	31	]	]	PUNCT
bibechana-74596	23	32	.	.	PUNCT
bibechana-74596	24	1	the	the	DET
bibechana-74596	24	2	functional	functional	ADJ
bibechana-74596	24	3	groups	group	NOUN
bibechana-74596	24	4	present	present	ADJ
bibechana-74596	24	5	in	in	ADP
bibechana-74596	24	6	gdp	gdp	NOUN
bibechana-74596	24	7	are	be	AUX
bibechana-74596	24	8	amine	amine	ADJ
bibechana-74596	24	9	group	group	NOUN
bibechana-74596	24	10	(	(	PUNCT
bibechana-74596	24	11	-nh2	-nh2	PROPN
bibechana-74596	24	12	)	)	PUNCT
bibechana-74596	24	13	,	,	PUNCT
bibechana-74596	24	14	amide	amide	NOUN
bibechana-74596	24	15	group	group	NOUN
bibechana-74596	24	16	(	(	PUNCT
bibechana-74596	24	17	-c	-c	PROPN
bibechana-74596	24	18	=	=	SYM
bibechana-74596	24	19	o	o	NOUN
bibechana-74596	24	20	-	-	PUNCT
bibechana-74596	24	21	n	n	CCONJ
bibechana-74596	24	22	)	)	PUNCT
bibechana-74596	24	23	,	,	PUNCT
bibechana-74596	24	24	hydroxyl	hydroxyl	NOUN
bibechana-74596	24	25	group	group	NOUN
bibechana-74596	24	26	(	(	PUNCT
bibechana-74596	24	27	-oh	-oh	NOUN
bibechana-74596	24	28	)	)	PUNCT
bibechana-74596	24	29	and	and	CCONJ
bibechana-74596	24	30	phosphate	phosphate	ADJ
bibechana-74596	24	31	group	group	NOUN
bibechana-74596	24	32	(	(	PUNCT
bibechana-74596	24	33	po4	po4	PROPN
bibechana-74596	24	34	2-	2-	PROPN
bibechana-74596	24	35	)	)	PUNCT
bibechana-74596	24	36	.	.	PUNCT
bibechana-74596	25	1	these	these	DET
bibechana-74596	25	2	functional	functional	ADJ
bibechana-74596	25	3	groups	group	NOUN
bibechana-74596	25	4	have	have	VERB
bibechana-74596	25	5	crucial	crucial	ADJ
bibechana-74596	25	6	role	role	NOUN
bibechana-74596	25	7	to	to	PART
bibechana-74596	25	8	take	take	VERB
bibechana-74596	25	9	part	part	NOUN
bibechana-74596	25	10	in	in	ADP
bibechana-74596	25	11	hydrogen	hydrogen	NOUN
bibechana-74596	25	12	bonding	bonding	NOUN
bibechana-74596	25	13	in	in	ADP
bibechana-74596	25	14	crystal	crystal	NOUN
bibechana-74596	25	15	structure	structure	NOUN
bibechana-74596	25	16	as	as	ADV
bibechana-74596	25	17	well	well	ADV
bibechana-74596	25	18	as	as	ADP
bibechana-74596	25	19	in	in	ADP
bibechana-74596	25	20	ligand	ligand	NOUN
bibechana-74596	25	21	-	-	PUNCT
bibechana-74596	25	22	protein	protein	NOUN
bibechana-74596	25	23	interaction	interaction	NOUN
bibechana-74596	25	24	.	.	PUNCT
bibechana-74596	26	1	this	this	DET
bibechana-74596	26	2	study	study	NOUN
bibechana-74596	26	3	aims	aim	VERB
bibechana-74596	26	4	to	to	PART
bibechana-74596	26	5	provide	provide	VERB
bibechana-74596	26	6	insight	insight	NOUN
bibechana-74596	26	7	into	into	ADP
bibechana-74596	26	8	reactive	reactive	ADJ
bibechana-74596	26	9	parts	part	NOUN
bibechana-74596	26	10	of	of	ADP
bibechana-74596	26	11	gdp	gdp	NOUN
bibechana-74596	26	12	by	by	ADP
bibechana-74596	26	13	highlighting	highlight	VERB
bibechana-74596	26	14	the	the	DET
bibechana-74596	26	15	sites	site	NOUN
bibechana-74596	26	16	of	of	ADP
bibechana-74596	26	17	intraand	intraand	NOUN
bibechana-74596	26	18	intermolecular	intermolecular	ADJ
bibechana-74596	26	19	hydrogen	hydrogen	NOUN
bibechana-74596	26	20	bonding	bonding	NOUN
bibechana-74596	26	21	.	.	PUNCT
bibechana-74596	27	1	the	the	DET
bibechana-74596	27	2	atomic	atomic	ADJ
bibechana-74596	27	3	charge	charge	NOUN
bibechana-74596	27	4	on	on	ADP
bibechana-74596	27	5	each	each	DET
bibechana-74596	27	6	atom	atom	NOUN
bibechana-74596	27	7	of	of	ADP
bibechana-74596	27	8	the	the	DET
bibechana-74596	27	9	title	title	NOUN
bibechana-74596	27	10	molecule	molecule	NOUN
bibechana-74596	27	11	revealed	reveal	VERB
bibechana-74596	27	12	from	from	ADP
bibechana-74596	27	13	mulliken	mulliken	ADJ
bibechana-74596	27	14	charge	charge	NOUN
bibechana-74596	27	15	analysis	analysis	NOUN
bibechana-74596	27	16	.	.	PUNCT
bibechana-74596	28	1	the	the	DET
bibechana-74596	28	2	vibrational	vibrational	ADJ
bibechana-74596	28	3	spectroscopic	spectroscopic	NOUN
bibechana-74596	28	4	techniques	technique	NOUN
bibechana-74596	28	5	(	(	PUNCT
bibechana-74596	28	6	ft	ft	NOUN
bibechana-74596	28	7	-	-	PUNCT
bibechana-74596	28	8	ir	ir	NOUN
bibechana-74596	28	9	and	and	CCONJ
bibechana-74596	28	10	ft	ft	NOUN
bibechana-74596	28	11	-	-	PUNCT
bibechana-74596	28	12	raman	raman	NOUN
bibechana-74596	28	13	)	)	PUNCT
bibechana-74596	28	14	,	,	PUNCT
bibechana-74596	28	15	along	along	ADP
bibechana-74596	28	16	with	with	ADP
bibechana-74596	28	17	uv	uv	NOUN
bibechana-74596	28	18	-	-	PUNCT
bibechana-74596	28	19	vis	vis	X
bibechana-74596	28	20	spectroscopy	spectroscopy	NOUN
bibechana-74596	28	21	,	,	PUNCT
bibechana-74596	28	22	conducted	conduct	VERB
bibechana-74596	28	23	through	through	ADP
bibechana-74596	28	24	quantum	quantum	ADJ
bibechana-74596	28	25	chemical	chemical	NOUN
bibechana-74596	28	26	calculations	calculation	NOUN
bibechana-74596	28	27	,	,	PUNCT
bibechana-74596	28	28	elucidated	elucidate	VERB
bibechana-74596	28	29	the	the	DET
bibechana-74596	28	30	vibrations	vibration	NOUN
bibechana-74596	28	31	and	and	CCONJ
bibechana-74596	28	32	electronic	electronic	ADJ
bibechana-74596	28	33	transitions	transition	NOUN
bibechana-74596	28	34	of	of	ADP
bibechana-74596	28	35	significant	significant	ADJ
bibechana-74596	28	36	functional	functional	ADJ
bibechana-74596	28	37	groups	group	NOUN
bibechana-74596	28	38	in	in	ADP
bibechana-74596	28	39	the	the	DET
bibechana-74596	28	40	compound	compound	NOUN
bibechana-74596	28	41	,	,	PUNCT
bibechana-74596	28	42	confirming	confirm	VERB
bibechana-74596	28	43	their	their	PRON
bibechana-74596	28	44	role	role	NOUN
bibechana-74596	28	45	in	in	ADP
bibechana-74596	28	46	biological	biological	ADJ
bibechana-74596	28	47	activity	activity	NOUN
bibechana-74596	28	48	.	.	PUNCT
bibechana-74596	29	1	moreover	moreover	ADV
bibechana-74596	29	2	,	,	PUNCT
bibechana-74596	29	3	the	the	DET
bibechana-74596	29	4	binding	bind	VERB
bibechana-74596	29	5	affinity	affinity	NOUN
bibechana-74596	29	6	of	of	ADP
bibechana-74596	29	7	the	the	DET
bibechana-74596	29	8	title	title	NOUN
bibechana-74596	29	9	compound	compound	NOUN
bibechana-74596	29	10	with	with	ADP
bibechana-74596	29	11	the	the	DET
bibechana-74596	29	12	targeted	target	VERB
bibechana-74596	29	13	protein	protein	NOUN
bibechana-74596	29	14	was	be	AUX
bibechana-74596	29	15	evaluated	evaluate	VERB
bibechana-74596	29	16	through	through	ADP
bibechana-74596	29	17	molecular	molecular	ADJ
bibechana-74596	29	18	docking	docking	NOUN
bibechana-74596	29	19	to	to	PART
bibechana-74596	29	20	assess	assess	VERB
bibechana-74596	29	21	its	its	PRON
bibechana-74596	29	22	biological	biological	ADJ
bibechana-74596	29	23	performance	performance	NOUN
bibechana-74596	29	24	.	.	PUNCT
bibechana-74596	30	1	2	2	NUM
bibechana-74596	30	2	materials	material	NOUN
bibechana-74596	30	3	and	and	CCONJ
bibechana-74596	30	4	methods	method	NOUN
bibechana-74596	30	5	quantum	quantum	NOUN
bibechana-74596	30	6	chemical	chemical	NOUN
bibechana-74596	30	7	calculation	calculation	NOUN
bibechana-74596	30	8	has	have	AUX
bibechana-74596	30	9	been	be	AUX
bibechana-74596	30	10	conducted	conduct	VERB
bibechana-74596	30	11	from	from	ADP
bibechana-74596	30	12	gaussian	gaussian	ADJ
bibechana-74596	30	13	16	16	NUM
bibechana-74596	30	14	software	software	NOUN
bibechana-74596	30	15	[	[	X
bibechana-74596	30	16	7	7	NUM
bibechana-74596	30	17	]	]	PUNCT
bibechana-74596	30	18	.	.	PUNCT
bibechana-74596	31	1	the	the	DET
bibechana-74596	31	2	exchange	exchange	NOUN
bibechana-74596	31	3	correlation	correlation	NOUN
bibechana-74596	31	4	functional	functional	ADJ
bibechana-74596	31	5	b3lyp	b3lyp	PROPN
bibechana-74596	31	6	was	be	AUX
bibechana-74596	31	7	used	use	VERB
bibechana-74596	31	8	in	in	ADP
bibechana-74596	31	9	this	this	DET
bibechana-74596	31	10	calculation	calculation	NOUN
bibechana-74596	32	1	[	[	X
bibechana-74596	32	2	8–10	8–10	NOUN
bibechana-74596	32	3	]	]	PUNCT
bibechana-74596	32	4	.	.	PUNCT
bibechana-74596	33	1	the	the	DET
bibechana-74596	33	2	diffused	diffuse	VERB
bibechana-74596	33	3	as	as	ADV
bibechana-74596	33	4	well	well	ADV
bibechana-74596	33	5	as	as	ADP
bibechana-74596	33	6	polarization	polarization	NOUN
bibechana-74596	33	7	functional	functional	ADJ
bibechana-74596	33	8	basis	basis	NOUN
bibechana-74596	33	9	set	set	VERB
bibechana-74596	33	10	6	6	NUM
bibechana-74596	33	11	-	-	PUNCT
bibechana-74596	33	12	311++g(d	311++g(d	NUM
bibechana-74596	33	13	,	,	PUNCT
bibechana-74596	33	14	p	p	NOUN
bibechana-74596	33	15	)	)	PUNCT
bibechana-74596	33	16	is	be	AUX
bibechana-74596	33	17	taken	take	VERB
bibechana-74596	33	18	into	into	ADP
bibechana-74596	33	19	consideration	consideration	NOUN
bibechana-74596	33	20	to	to	PART
bibechana-74596	33	21	obtain	obtain	VERB
bibechana-74596	33	22	the	the	DET
bibechana-74596	33	23	more	more	ADV
bibechana-74596	33	24	accurate	accurate	ADJ
bibechana-74596	33	25	result	result	NOUN
bibechana-74596	33	26	[	[	X
bibechana-74596	33	27	11	11	NUM
bibechana-74596	33	28	]	]	PUNCT
bibechana-74596	33	29	.	.	PUNCT
bibechana-74596	34	1	the	the	DET
bibechana-74596	34	2	density	density	NOUN
bibechana-74596	34	3	functional	functional	ADJ
bibechana-74596	34	4	theory	theory	NOUN
bibechana-74596	34	5	(	(	PUNCT
bibechana-74596	34	6	dft	dft	PROPN
bibechana-74596	34	7	)	)	PUNCT
bibechana-74596	35	1	[	[	X
bibechana-74596	35	2	12]is	12]is	NUM
bibechana-74596	35	3	the	the	DET
bibechana-74596	35	4	wonder	wonder	NOUN
bibechana-74596	35	5	full	full	ADJ
bibechana-74596	35	6	technique	technique	NOUN
bibechana-74596	35	7	which	which	PRON
bibechana-74596	35	8	gives	give	VERB
bibechana-74596	35	9	the	the	DET
bibechana-74596	35	10	result	result	NOUN
bibechana-74596	35	11	closer	close	ADV
bibechana-74596	35	12	to	to	ADP
bibechana-74596	35	13	experimental	experimental	ADJ
bibechana-74596	35	14	value	value	NOUN
bibechana-74596	35	15	and	and	CCONJ
bibechana-74596	35	16	this	this	PRON
bibechana-74596	35	17	is	be	AUX
bibechana-74596	35	18	implemented	implement	VERB
bibechana-74596	35	19	in	in	ADP
bibechana-74596	35	20	gaussian	gaussian	ADJ
bibechana-74596	35	21	16	16	NUM
bibechana-74596	35	22	software	software	NOUN
bibechana-74596	35	23	.	.	PUNCT
bibechana-74596	36	1	the	the	DET
bibechana-74596	36	2	gaussview	gaussview	NOUN
bibechana-74596	36	3	06	06	NUM
bibechana-74596	36	4	software	software	NOUN
bibechana-74596	36	5	[	[	X
bibechana-74596	36	6	13	13	NUM
bibechana-74596	36	7	]	]	PUNCT
bibechana-74596	36	8	is	be	AUX
bibechana-74596	36	9	used	use	VERB
bibechana-74596	36	10	to	to	PART
bibechana-74596	36	11	visualize	visualize	VERB
bibechana-74596	36	12	the	the	DET
bibechana-74596	36	13	data	datum	NOUN
bibechana-74596	36	14	which	which	PRON
bibechana-74596	36	15	is	be	AUX
bibechana-74596	36	16	obtained	obtain	VERB
bibechana-74596	36	17	after	after	ADP
bibechana-74596	36	18	calculation	calculation	NOUN
bibechana-74596	36	19	.	.	PUNCT
bibechana-74596	37	1	the	the	DET
bibechana-74596	37	2	intra	intra	ADJ
bibechana-74596	37	3	-	-	ADJ
bibechana-74596	37	4	molecular	molecular	ADJ
bibechana-74596	37	5	hydrogen	hydrogen	NOUN
bibechana-74596	37	6	bonding	bonding	NOUN
bibechana-74596	37	7	in	in	ADP
bibechana-74596	37	8	the	the	DET
bibechana-74596	37	9	investigated	investigate	VERB
bibechana-74596	37	10	molecule	molecule	NOUN
bibechana-74596	37	11	has	have	AUX
bibechana-74596	37	12	been	be	AUX
bibechana-74596	37	13	calculated	calculate	VERB
bibechana-74596	37	14	from	from	ADP
bibechana-74596	37	15	quantum	quantum	ADJ
bibechana-74596	37	16	theory	theory	NOUN
bibechana-74596	37	17	of	of	ADP
bibechana-74596	37	18	atoms	atom	NOUN
bibechana-74596	37	19	in	in	ADP
bibechana-74596	37	20	molecule	molecule	NOUN
bibechana-74596	37	21	(	(	PUNCT
bibechana-74596	37	22	qtaim	qtaim	NOUN
bibechana-74596	37	23	)	)	PUNCT
bibechana-74596	37	24	by	by	ADP
bibechana-74596	37	25	using	use	VERB
bibechana-74596	37	26	aimall	aimall	ADP
bibechana-74596	37	27	software	software	NOUN
bibechana-74596	37	28	package	package	NOUN
bibechana-74596	37	29	[	[	X
bibechana-74596	37	30	14	14	NUM
bibechana-74596	37	31	,	,	PUNCT
bibechana-74596	37	32	15	15	NUM
bibechana-74596	37	33	]	]	PUNCT
bibechana-74596	37	34	.	.	PUNCT
bibechana-74596	38	1	the	the	DET
bibechana-74596	38	2	rdg	rdg	NOUN
bibechana-74596	38	3	isosurface	isosurface	NOUN
bibechana-74596	38	4	,	,	PUNCT
bibechana-74596	38	5	scatterplot	scatterplot	NOUN
bibechana-74596	38	6	,	,	PUNCT
bibechana-74596	38	7	and	and	CCONJ
bibechana-74596	38	8	molecular	molecular	ADJ
bibechana-74596	38	9	electrostatic	electrostatic	ADJ
bibechana-74596	38	10	potential	potential	NOUN
bibechana-74596	38	11	mapped	map	VERB
bibechana-74596	38	12	into	into	ADP
bibechana-74596	38	13	the	the	DET
bibechana-74596	38	14	molecular	molecular	ADJ
bibechana-74596	38	15	surface	surface	NOUN
bibechana-74596	38	16	produced	produce	VERB
bibechana-74596	38	17	by	by	ADP
bibechana-74596	38	18	the	the	DET
bibechana-74596	38	19	multiwfn	multiwfn	PROPN
bibechana-74596	38	20	8.0	8.0	NUM
bibechana-74596	38	21	and	and	CCONJ
bibechana-74596	38	22	vmd	vmd	PROPN
bibechana-74596	38	23	1.9.1	1.9.1	PROPN
bibechana-74596	38	24	software	software	NOUN
bibechana-74596	38	25	packages	package	NOUN
bibechana-74596	38	26	[	[	X
bibechana-74596	38	27	16	16	NUM
bibechana-74596	38	28	,	,	PUNCT
bibechana-74596	38	29	17	17	NUM
bibechana-74596	38	30	]	]	PUNCT
bibechana-74596	38	31	.	.	PUNCT
bibechana-74596	39	1	the	the	DET
bibechana-74596	39	2	ligand	ligand	NOUN
bibechana-74596	39	3	-	-	PUNCT
bibechana-74596	39	4	protein	protein	NOUN
bibechana-74596	39	5	interaction	interaction	NOUN
bibechana-74596	39	6	of	of	ADP
bibechana-74596	39	7	gdp	gdp	NOUN
bibechana-74596	39	8	with	with	ADP
bibechana-74596	39	9	predicted	predict	VERB
bibechana-74596	39	10	target	target	NOUN
bibechana-74596	39	11	rac1	rac1	NOUN
bibechana-74596	39	12	is	be	AUX
bibechana-74596	39	13	explored	explore	VERB
bibechana-74596	39	14	from	from	ADP
bibechana-74596	39	15	autodock	autodock	NOUN
bibechana-74596	39	16	and	and	CCONJ
bibechana-74596	39	17	discovery	discovery	PROPN
bibechana-74596	39	18	studio	studio	NOUN
bibechana-74596	39	19	visualizer	visualizer	NOUN
bibechana-74596	39	20	4.5	4.5	NUM
bibechana-74596	40	1	[	[	SYM
bibechana-74596	40	2	18	18	NUM
bibechana-74596	40	3	,	,	PUNCT
bibechana-74596	40	4	19	19	NUM
bibechana-74596	40	5	]	]	PUNCT
bibechana-74596	40	6	.	.	PUNCT
bibechana-74596	41	1	the	the	DET
bibechana-74596	41	2	gauss	gauss	PROPN
bibechana-74596	41	3	sum	sum	PROPN
bibechana-74596	41	4	software	software	NOUN
bibechana-74596	41	5	has	have	AUX
bibechana-74596	41	6	been	be	AUX
bibechana-74596	41	7	implemented	implement	VERB
bibechana-74596	41	8	to	to	PART
bibechana-74596	41	9	explore	explore	VERB
bibechana-74596	41	10	the	the	DET
bibechana-74596	41	11	excitation	excitation	NOUN
bibechana-74596	41	12	state	state	NOUN
bibechana-74596	41	13	and	and	CCONJ
bibechana-74596	41	14	excitation	excitation	NOUN
bibechana-74596	41	15	energy	energy	NOUN
bibechana-74596	41	16	from	from	ADP
bibechana-74596	41	17	uv	uv	NOUN
bibechana-74596	41	18	-	-	PUNCT
bibechana-74596	41	19	vis	vis	X
bibechana-74596	41	20	spectroscopy	spectroscopy	NOUN
bibechana-74596	41	21	[	[	X
bibechana-74596	41	22	20	20	NUM
bibechana-74596	41	23	]	]	PUNCT
bibechana-74596	41	24	.	.	PUNCT
bibechana-74596	42	1	3	3	NUM
bibechana-74596	42	2	results	result	NOUN
bibechana-74596	42	3	and	and	CCONJ
bibechana-74596	42	4	discussion	discussion	NOUN
bibechana-74596	42	5	3.1	3.1	NUM
bibechana-74596	42	6	atoms	atom	NOUN
bibechana-74596	42	7	in	in	ADP
bibechana-74596	42	8	molecules	molecule	NOUN
bibechana-74596	42	9	(	(	PUNCT
bibechana-74596	42	10	aim	aim	NOUN
bibechana-74596	42	11	)	)	PUNCT
bibechana-74596	42	12	he	he	PRON
bibechana-74596	42	13	intra	intra	ADJ
bibechana-74596	42	14	-	-	ADJ
bibechana-74596	42	15	molecular	molecular	ADJ
bibechana-74596	42	16	hydrogen	hydrogen	NOUN
bibechana-74596	42	17	bonding	bonding	NOUN
bibechana-74596	42	18	of	of	ADP
bibechana-74596	42	19	gdp	gdp	NOUN
bibechana-74596	42	20	has	have	AUX
bibechana-74596	42	21	been	be	AUX
bibechana-74596	42	22	explored	explore	VERB
bibechana-74596	42	23	by	by	ADP
bibechana-74596	42	24	using	use	VERB
bibechana-74596	42	25	qtaim	qtaim	NOUN
bibechana-74596	42	26	analysis	analysis	NOUN
bibechana-74596	42	27	[	[	X
bibechana-74596	42	28	15	15	NUM
bibechana-74596	42	29	]	]	PUNCT
bibechana-74596	42	30	.	.	PUNCT
bibechana-74596	43	1	the	the	DET
bibechana-74596	43	2	judgement	judgement	NOUN
bibechana-74596	43	3	of	of	ADP
bibechana-74596	43	4	intra	intra	ADJ
bibechana-74596	43	5	-	-	ADJ
bibechana-74596	43	6	molecular	molecular	ADJ
bibechana-74596	43	7	hydrogen	hydrogen	NOUN
bibechana-74596	43	8	bonding	bonding	NOUN
bibechana-74596	43	9	in	in	ADP
bibechana-74596	43	10	gdp	gdp	NOUN
bibechana-74596	43	11	is	be	AUX
bibechana-74596	43	12	based	base	VERB
bibechana-74596	43	13	on	on	ADP
bibechana-74596	43	14	the	the	DET
bibechana-74596	43	15	electron	electron	NOUN
bibechana-74596	43	16	density	density	NOUN
bibechana-74596	43	17	(	(	PUNCT
bibechana-74596	43	18	ρbcp	ρbcp	NOUN
bibechana-74596	43	19	)	)	PUNCT
bibechana-74596	43	20	,	,	PUNCT
bibechana-74596	43	21	laplacian	laplacian	NOUN
bibechana-74596	43	22	of	of	ADP
bibechana-74596	43	23	electron	electron	NOUN
bibechana-74596	43	24	density	density	NOUN
bibechana-74596	43	25	(	(	PUNCT
bibechana-74596	43	26	∇2ρbcp	∇2ρbcp	PROPN
bibechana-74596	43	27	)	)	PUNCT
bibechana-74596	43	28	,	,	PUNCT
bibechana-74596	43	29	and	and	CCONJ
bibechana-74596	43	30	total	total	ADJ
bibechana-74596	43	31	electron	electron	NOUN
bibechana-74596	43	32	density	density	NOUN
bibechana-74596	43	33	(	(	PUNCT
bibechana-74596	43	34	hbcp	hbcp	NOUN
bibechana-74596	43	35	)	)	PUNCT
bibechana-74596	43	36	at	at	ADP
bibechana-74596	43	37	bond	bond	NOUN
bibechana-74596	43	38	critical	critical	ADJ
bibechana-74596	43	39	point	point	NOUN
bibechana-74596	43	40	(	(	PUNCT
bibechana-74596	43	41	bcp	bcp	NOUN
bibechana-74596	43	42	)	)	PUNCT
bibechana-74596	43	43	.	.	PUNCT
bibechana-74596	44	1	if	if	SCONJ
bibechana-74596	44	2	the	the	DET
bibechana-74596	44	3	respective	respective	ADJ
bibechana-74596	44	4	value	value	NOUN
bibechana-74596	44	5	of	of	ADP
bibechana-74596	44	6	(	(	PUNCT
bibechana-74596	44	7	ρbcp	ρbcp	NOUN
bibechana-74596	44	8	)	)	PUNCT
bibechana-74596	44	9	and	and	CCONJ
bibechana-74596	44	10	(	(	PUNCT
bibechana-74596	44	11	∇2ρbcp	∇2ρbcp	PROPN
bibechana-74596	44	12	)	)	PUNCT
bibechana-74596	44	13	lies	lie	VERB
bibechana-74596	44	14	in	in	ADP
bibechana-74596	44	15	the	the	DET
bibechana-74596	44	16	range	range	NOUN
bibechana-74596	44	17	(	(	PUNCT
bibechana-74596	44	18	0.0020.034	0.0020.034	PROPN
bibechana-74596	44	19	)	)	PUNCT
bibechana-74596	44	20	a.u	a.u	PROPN
bibechana-74596	44	21	and	and	CCONJ
bibechana-74596	44	22	(	(	PUNCT
bibechana-74596	44	23	0.0240.139	0.0240.139	NUM
bibechana-74596	44	24	)	)	PUNCT
bibechana-74596	44	25	a.u	a.u	PROPN
bibechana-74596	44	26	,	,	PUNCT
bibechana-74596	44	27	then	then	ADV
bibechana-74596	44	28	there	there	PRON
bibechana-74596	44	29	is	be	VERB
bibechana-74596	44	30	the	the	DET
bibechana-74596	44	31	existence	existence	NOUN
bibechana-74596	44	32	of	of	ADP
bibechana-74596	44	33	hydrogen	hydrogen	NOUN
bibechana-74596	44	34	bonding	bonding	NOUN
bibechana-74596	44	35	[	[	X
bibechana-74596	44	36	21	21	NUM
bibechana-74596	44	37	]	]	PUNCT
bibechana-74596	44	38	.	.	PUNCT
bibechana-74596	45	1	the	the	DET
bibechana-74596	45	2	nature	nature	NOUN
bibechana-74596	45	3	and	and	CCONJ
bibechana-74596	45	4	strength	strength	NOUN
bibechana-74596	45	5	of	of	ADP
bibechana-74596	45	6	hydrogen	hydrogen	NOUN
bibechana-74596	45	7	bonding	bonding	NOUN
bibechana-74596	45	8	is	be	AUX
bibechana-74596	45	9	identified	identify	VERB
bibechana-74596	45	10	in	in	ADP
bibechana-74596	45	11	terms	term	NOUN
bibechana-74596	45	12	of	of	ADP
bibechana-74596	45	13	(	(	PUNCT
bibechana-74596	45	14	∇2ρbcp	∇2ρbcp	NOUN
bibechana-74596	45	15	)	)	PUNCT
bibechana-74596	45	16	and	and	CCONJ
bibechana-74596	45	17	hbcp	hbcp	NOUN
bibechana-74596	45	18	.	.	PUNCT
bibechana-74596	46	1	if	if	SCONJ
bibechana-74596	46	2	their	their	PRON
bibechana-74596	46	3	values	value	NOUN
bibechana-74596	46	4	are	be	AUX
bibechana-74596	46	5	greater	great	ADJ
bibechana-74596	46	6	than	than	ADP
bibechana-74596	46	7	zero	zero	NUM
bibechana-74596	46	8	,	,	PUNCT
bibechana-74596	46	9	then	then	ADV
bibechana-74596	46	10	there	there	PRON
bibechana-74596	46	11	should	should	AUX
bibechana-74596	46	12	be	be	AUX
bibechana-74596	46	13	weak	weak	ADJ
bibechana-74596	46	14	hydrogen	hydrogen	NOUN
bibechana-74596	46	15	bond	bond	NOUN
bibechana-74596	46	16	(	(	PUNCT
bibechana-74596	46	17	electrostatic	electrostatic	ADJ
bibechana-74596	46	18	)	)	PUNCT
bibechana-74596	46	19	.	.	PUNCT
bibechana-74596	47	1	if	if	SCONJ
bibechana-74596	47	2	(	(	PUNCT
bibechana-74596	47	3	∇2ρbcp	∇2ρbcp	PROPN
bibechana-74596	47	4	)	)	PUNCT
bibechana-74596	47	5	>	>	X
bibechana-74596	47	6	0	0	PUNCT
bibechana-74596	47	7	and	and	CCONJ
bibechana-74596	47	8	hbcp	hbcp	NOUN
bibechana-74596	47	9	<	<	X
bibechana-74596	47	10	0	0	NUM
bibechana-74596	47	11	;	;	PUNCT
bibechana-74596	47	12	then	then	ADV
bibechana-74596	47	13	there	there	PRON
bibechana-74596	47	14	should	should	AUX
bibechana-74596	47	15	be	be	AUX
bibechana-74596	47	16	partially	partially	ADV
bibechana-74596	47	17	covalent	covalent	ADJ
bibechana-74596	47	18	bond	bond	NOUN
bibechana-74596	47	19	.	.	PUNCT
bibechana-74596	48	1	if	if	SCONJ
bibechana-74596	48	2	(	(	PUNCT
bibechana-74596	48	3	(	(	PUNCT
bibechana-74596	48	4	∇2ρbcp	∇2ρbcp	NOUN
bibechana-74596	48	5	)	)	PUNCT
bibechana-74596	48	6	)	)	PUNCT
bibechana-74596	49	1	<	<	X
bibechana-74596	49	2	0	0	PUNCT
bibechana-74596	50	1	and	and	CCONJ
bibechana-74596	50	2	hbcp	hbcp	NOUN
bibechana-74596	50	3	<	<	X
bibechana-74596	50	4	0	0	NUM
bibechana-74596	50	5	;	;	PUNCT
bibechana-74596	50	6	there	there	PRON
bibechana-74596	50	7	should	should	AUX
bibechana-74596	50	8	be	be	AUX
bibechana-74596	50	9	strong	strong	ADJ
bibechana-74596	50	10	covalent	covalent	ADJ
bibechana-74596	50	11	hydrogen	hydrogen	NOUN
bibechana-74596	50	12	bond	bond	NOUN
bibechana-74596	50	13	[	[	X
bibechana-74596	50	14	22	22	NUM
bibechana-74596	50	15	]	]	PUNCT
bibechana-74596	50	16	.	.	PUNCT
bibechana-74596	51	1	the	the	DET
bibechana-74596	51	2	optimized	optimize	VERB
bibechana-74596	51	3	structure	structure	NOUN
bibechana-74596	51	4	of	of	ADP
bibechana-74596	51	5	the	the	DET
bibechana-74596	51	6	gdp	gdp	NOUN
bibechana-74596	51	7	with	with	ADP
bibechana-74596	51	8	atom	atom	NOUN
bibechana-74596	51	9	numbering	numbering	NOUN
bibechana-74596	51	10	scheme	scheme	NOUN
bibechana-74596	51	11	is	be	AUX
bibechana-74596	51	12	depicted	depict	VERB
bibechana-74596	51	13	in	in	ADP
bibechana-74596	51	14	figure	figure	NOUN
bibechana-74596	51	15	1	1	NUM
bibechana-74596	51	16	.	.	PUNCT
bibechana-74596	52	1	the	the	DET
bibechana-74596	52	2	molecular	molecular	ADJ
bibechana-74596	52	3	graph	graph	NOUN
bibechana-74596	52	4	of	of	ADP
bibechana-74596	52	5	gdp	gdp	NOUN
bibechana-74596	52	6	highlighting	highlight	VERB
bibechana-74596	52	7	intra	intra	ADJ
bibechana-74596	52	8	-	-	ADJ
bibechana-74596	52	9	molecular	molecular	ADJ
bibechana-74596	52	10	hydrogen	hydrogen	NOUN
bibechana-74596	52	11	bonds	bond	NOUN
bibechana-74596	52	12	is	be	AUX
bibechana-74596	52	13	presented	present	VERB
bibechana-74596	52	14	in	in	ADP
bibechana-74596	52	15	figure	figure	NOUN
bibechana-74596	52	16	2	2	NUM
bibechana-74596	52	17	.	.	PUNCT
bibechana-74596	53	1	the	the	DET
bibechana-74596	53	2	table	table	NOUN
bibechana-74596	53	3	1	1	NUM
bibechana-74596	53	4	represents	represent	VERB
bibechana-74596	53	5	the	the	DET
bibechana-74596	53	6	bond	bond	NOUN
bibechana-74596	53	7	length	length	NOUN
bibechana-74596	53	8	(	(	PUNCT
bibechana-74596	53	9	å	å	NOUN
bibechana-74596	53	10	)	)	PUNCT
bibechana-74596	53	11	,	,	PUNCT
bibechana-74596	53	12	bond	bond	NOUN
bibechana-74596	53	13	angle	angle	NOUN
bibechana-74596	53	14	(	(	PUNCT
bibechana-74596	53	15	°	°	NOUN
bibechana-74596	53	16	)	)	PUNCT
bibechana-74596	53	17	and	and	CCONJ
bibechana-74596	53	18	sum	sum	NOUN
bibechana-74596	53	19	of	of	ADP
bibechana-74596	53	20	van	van	PROPN
bibechana-74596	53	21	der	der	PROPN
bibechana-74596	53	22	waal	waal	PROPN
bibechana-74596	53	23	radii	radius	NOUN
bibechana-74596	53	24	of	of	ADP
bibechana-74596	53	25	interacting	interact	VERB
bibechana-74596	53	26	atoms	atom	NOUN
bibechana-74596	53	27	(	(	PUNCT
bibechana-74596	53	28	rh	rh	PROPN
bibechana-74596	53	29	+	+	PROPN
bibechana-74596	53	30	ra	ra	PROPN
bibechana-74596	53	31	)	)	PUNCT
bibechana-74596	53	32	.	.	PUNCT
bibechana-74596	54	1	the	the	DET
bibechana-74596	54	2	value	value	NOUN
bibechana-74596	54	3	of	of	ADP
bibechana-74596	54	4	(	(	PUNCT
bibechana-74596	54	5	ρbcp	ρbcp	NOUN
bibechana-74596	54	6	)	)	PUNCT
bibechana-74596	54	7	,	,	PUNCT
bibechana-74596	54	8	∇2(ρbcp	∇2(ρbcp	PROPN
bibechana-74596	54	9	)	)	PUNCT
bibechana-74596	54	10	,	,	PUNCT
bibechana-74596	54	11	electron	electron	NOUN
bibechana-74596	54	12	kinetic	kinetic	ADJ
bibechana-74596	54	13	energy	energy	NOUN
bibechana-74596	54	14	density	density	NOUN
bibechana-74596	54	15	(	(	PUNCT
bibechana-74596	54	16	gbcp	gbcp	NOUN
bibechana-74596	54	17	)	)	PUNCT
bibechana-74596	54	18	,	,	PUNCT
bibechana-74596	54	19	electron	electron	NOUN
bibechana-74596	54	20	potential	potential	ADJ
bibechana-74596	54	21	energy	energy	NOUN
bibechana-74596	54	22	density	density	NOUN
bibechana-74596	54	23	(	(	PUNCT
bibechana-74596	54	24	vbcp	vbcp	NOUN
bibechana-74596	54	25	)	)	PUNCT
bibechana-74596	54	26	,	,	PUNCT
bibechana-74596	54	27	total	total	ADJ
bibechana-74596	54	28	electron	electron	NOUN
bibechana-74596	54	29	energy	energy	NOUN
bibechana-74596	54	30	density	density	NOUN
bibechana-74596	54	31	(	(	PUNCT
bibechana-74596	54	32	hbcp	hbcp	NOUN
bibechana-74596	54	33	)	)	PUNCT
bibechana-74596	54	34	,	,	PUNCT
bibechana-74596	54	35	and	and	CCONJ
bibechana-74596	54	36	interaction	interaction	NOUN
bibechana-74596	54	37	energy	energy	NOUN
bibechana-74596	54	38	(	(	PUNCT
bibechana-74596	54	39	eint	eint	NOUN
bibechana-74596	54	40	)	)	PUNCT
bibechana-74596	54	41	at	at	ADP
bibechana-74596	54	42	bcp	bcp	PROPN
bibechana-74596	54	43	for	for	ADP
bibechana-74596	54	44	gdp	gdp	NOUN
bibechana-74596	54	45	is	be	AUX
bibechana-74596	54	46	presented	present	VERB
bibechana-74596	54	47	in	in	ADP
bibechana-74596	54	48	table	table	NOUN
bibechana-74596	54	49	2	2	NUM
bibechana-74596	54	50	.	.	PUNCT
bibechana-74596	55	1	the	the	DET
bibechana-74596	55	2	distance	distance	NOUN
bibechana-74596	55	3	between	between	ADP
bibechana-74596	55	4	interacting	interact	VERB
bibechana-74596	55	5	atoms	atom	NOUN
bibechana-74596	55	6	is	be	AUX
bibechana-74596	55	7	less	less	ADJ
bibechana-74596	55	8	than	than	ADP
bibechana-74596	55	9	the	the	DET
bibechana-74596	55	10	value	value	NOUN
bibechana-74596	55	11	of	of	ADP
bibechana-74596	55	12	rh	rh	PROPN
bibechana-74596	55	13	+	+	CCONJ
bibechana-74596	55	14	ra	ra	PROPN
bibechana-74596	56	1	but	but	CCONJ
bibechana-74596	56	2	(	(	PUNCT
bibechana-74596	56	3	∇2ρbcp	∇2ρbcp	PROPN
bibechana-74596	56	4	)	)	PUNCT
bibechana-74596	56	5	>	>	X
bibechana-74596	56	6	0	0	PUNCT
bibechana-74596	57	1	and	and	CCONJ
bibechana-74596	57	2	hbcp	hbcp	NOUN
bibechana-74596	57	3	<	<	X
bibechana-74596	57	4	0	0	PUNCT
bibechana-74596	58	1	so	so	ADV
bibechana-74596	58	2	all	all	DET
bibechana-74596	58	3	the	the	DET
bibechana-74596	58	4	four	four	NUM
bibechana-74596	58	5	intra	intra	ADJ
bibechana-74596	58	6	-	-	ADJ
bibechana-74596	58	7	molecular	molecular	ADJ
bibechana-74596	58	8	hydrogen	hydrogen	NOUN
bibechana-74596	58	9	bonds	bond	NOUN
bibechana-74596	58	10	are	be	AUX
bibechana-74596	58	11	partially	partially	ADV
bibechana-74596	58	12	covalent	covalent	ADJ
bibechana-74596	58	13	in	in	ADP
bibechana-74596	58	14	nature	nature	NOUN
bibechana-74596	58	15	.	.	PUNCT
bibechana-74596	59	1	moreover	moreover	ADV
bibechana-74596	59	2	,	,	PUNCT
bibechana-74596	59	3	the	the	DET
bibechana-74596	59	4	interaction	interaction	NOUN
bibechana-74596	59	5	energy	energy	NOUN
bibechana-74596	59	6	(	(	PUNCT
bibechana-74596	59	7	eint	eint	NOUN
bibechana-74596	59	8	)	)	PUNCT
bibechana-74596	59	9	at	at	ADP
bibechana-74596	59	10	bcp	bcp	PROPN
bibechana-74596	59	11	for	for	ADP
bibechana-74596	59	12	o10h11	o10h11	PROPN
bibechana-74596	59	13	...	...	PUNCT
bibechana-74596	59	14	o2	o2	PROPN
bibechana-74596	59	15	is	be	AUX
bibechana-74596	59	16	highest	high	ADJ
bibechana-74596	59	17	(	(	PUNCT
bibechana-74596	59	18	8.311	8.311	NUM
bibechana-74596	59	19	)	)	PUNCT
bibechana-74596	59	20	kcal	kcal	PROPN
bibechana-74596	59	21	/	/	SYM
bibechana-74596	59	22	mol	mol	PROPN
bibechana-74596	59	23	,	,	PUNCT
bibechana-74596	59	24	and	and	CCONJ
bibechana-74596	59	25	the	the	DET
bibechana-74596	59	26	bond	bond	NOUN
bibechana-74596	59	27	length	length	PROPN
bibechana-74596	59	28	h11	h11	PROPN
bibechana-74596	59	29	.	.	PUNCT
bibechana-74596	59	30	.	.	PUNCT
bibechana-74596	59	31	.	.	PUNCT
bibechana-74596	60	1	o2	o2	PROPN
bibechana-74596	60	2	is	be	AUX
bibechana-74596	60	3	least	least	ADJ
bibechana-74596	60	4	(	(	PUNCT
bibechana-74596	60	5	1.813	1.813	NUM
bibechana-74596	60	6	å	å	NOUN
bibechana-74596	60	7	)	)	PUNCT
bibechana-74596	61	1	so	so	ADV
bibechana-74596	61	2	,	,	PUNCT
bibechana-74596	61	3	h11	h11	PROPN
bibechana-74596	61	4	.	.	PUNCT
bibechana-74596	61	5	.	.	PUNCT
bibechana-74596	61	6	.	.	PUNCT
bibechana-74596	62	1	o2	o2	PROPN
bibechana-74596	62	2	is	be	AUX
bibechana-74596	62	3	the	the	DET
bibechana-74596	62	4	strongest	strong	ADJ
bibechana-74596	62	5	intra	intra	ADJ
bibechana-74596	62	6	-	-	ADJ
bibechana-74596	62	7	molecular	molecular	ADJ
bibechana-74596	62	8	hydrogen	hydrogen	NOUN
bibechana-74596	62	9	bond	bond	NOUN
bibechana-74596	62	10	out	out	ADP
bibechana-74596	62	11	of	of	ADP
bibechana-74596	62	12	four	four	NUM
bibechana-74596	62	13	.	.	PUNCT
bibechana-74596	63	1	manoj	manoj	PROPN
bibechana-74596	63	2	kumar	kumar	PROPN
bibechana-74596	63	3	chaudhary	chaudhary	PROPN
bibechana-74596	63	4	et	et	PROPN
bibechana-74596	63	5	al./	al./	ADV
bibechana-74596	63	6	bibechana	bibechana	PROPN
bibechana-74596	63	7	22	22	NUM
bibechana-74596	63	8	(	(	PUNCT
bibechana-74596	63	9	2025	2025	NUM
bibechana-74596	63	10	)	)	PUNCT
bibechana-74596	63	11	205	205	NUM
bibechana-74596	63	12	-	-	SYM
bibechana-74596	63	13	214	214	NUM
bibechana-74596	63	14	207	207	NUM
bibechana-74596	63	15	figure	figure	NOUN
bibechana-74596	63	16	1	1	NUM
bibechana-74596	63	17	:	:	PUNCT
bibechana-74596	63	18	3d	3d	NUM
bibechana-74596	63	19	structure	structure	NOUN
bibechana-74596	63	20	of	of	ADP
bibechana-74596	63	21	gdp	gdp	NOUN
bibechana-74596	63	22	obtained	obtain	VERB
bibechana-74596	63	23	from	from	ADP
bibechana-74596	63	24	b3lyp/6	b3lyp/6	NOUN
bibechana-74596	63	25	-	-	NOUN
bibechana-74596	63	26	311++g(d	311++g(d	ADJ
bibechana-74596	63	27	,	,	PUNCT
bibechana-74596	63	28	p	p	NOUN
bibechana-74596	63	29	)	)	PUNCT
bibechana-74596	63	30	level	level	NOUN
bibechana-74596	63	31	of	of	ADP
bibechana-74596	63	32	theory	theory	NOUN
bibechana-74596	63	33	figure	figure	NOUN
bibechana-74596	63	34	2	2	NUM
bibechana-74596	63	35	:	:	PUNCT
bibechana-74596	63	36	molecular	molecular	ADJ
bibechana-74596	63	37	graph	graph	NOUN
bibechana-74596	63	38	of	of	ADP
bibechana-74596	63	39	gdp	gdp	NOUN
bibechana-74596	63	40	for	for	ADP
bibechana-74596	63	41	intramolecular	intramolecular	ADJ
bibechana-74596	63	42	hydrogen	hydrogen	NOUN
bibechana-74596	63	43	bond	bond	NOUN
bibechana-74596	63	44	.	.	PUNCT
bibechana-74596	64	1	table	table	NOUN
bibechana-74596	64	2	1	1	NUM
bibechana-74596	64	3	:	:	PUNCT
bibechana-74596	64	4	geometrical	geometrical	ADJ
bibechana-74596	64	5	parameters	parameter	NOUN
bibechana-74596	64	6	for	for	ADP
bibechana-74596	64	7	intramolecular	intramolecular	ADJ
bibechana-74596	64	8	hydrogen	hydrogen	NOUN
bibechana-74596	64	9	bonds	bond	NOUN
bibechana-74596	64	10	in	in	ADP
bibechana-74596	64	11	gdp	gdp	NOUN
bibechana-74596	64	12	:	:	PUNCT
bibechana-74596	64	13	bond	bond	NOUN
bibechana-74596	64	14	length	length	NOUN
bibechana-74596	64	15	(	(	PUNCT
bibechana-74596	64	16	å	å	NOUN
bibechana-74596	64	17	)	)	PUNCT
bibechana-74596	64	18	,	,	PUNCT
bibechana-74596	64	19	bond	bond	NOUN
bibechana-74596	64	20	angle	angle	NOUN
bibechana-74596	64	21	(	(	PUNCT
bibechana-74596	64	22	°	°	NOUN
bibechana-74596	64	23	)	)	PUNCT
bibechana-74596	64	24	,	,	PUNCT
bibechana-74596	64	25	and	and	CCONJ
bibechana-74596	64	26	sum	sum	NOUN
bibechana-74596	64	27	of	of	ADP
bibechana-74596	64	28	van	van	PROPN
bibechana-74596	64	29	der	der	NOUN
bibechana-74596	64	30	waals	waal	NOUN
bibechana-74596	64	31	radii	radii	VERB
bibechana-74596	64	32	of	of	ADP
bibechana-74596	64	33	interacting	interact	VERB
bibechana-74596	64	34	atoms	atom	NOUN
bibechana-74596	64	35	(	(	PUNCT
bibechana-74596	64	36	rh	rh	PROPN
bibechana-74596	64	37	+	+	PROPN
bibechana-74596	64	38	ra	ra	NOUN
bibechana-74596	64	39	)	)	PUNCT
bibechana-74596	64	40	in	in	ADP
bibechana-74596	64	41	å	å	PROPN
bibechana-74596	64	42	.	.	PUNCT
bibechana-74596	65	1	d	d	X
bibechana-74596	65	2	–	–	PUNCT
bibechana-74596	65	3	h	h	NOUN
bibechana-74596	65	4	·	·	PUNCT
bibechana-74596	65	5	·	·	PUNCT
bibechana-74596	65	6	·	·	PUNCT
bibechana-74596	65	7	a	a	DET
bibechana-74596	65	8	d	d	NOUN
bibechana-74596	65	9	–	–	PUNCT
bibechana-74596	65	10	h	h	NOUN
bibechana-74596	65	11	(	(	PUNCT
bibechana-74596	65	12	å	å	NOUN
bibechana-74596	65	13	)	)	PUNCT
bibechana-74596	65	14	h	h	NOUN
bibechana-74596	65	15	·	·	PUNCT
bibechana-74596	65	16	·	·	PUNCT
bibechana-74596	65	17	·	·	PUNCT
bibechana-74596	65	18	a	a	PRON
bibechana-74596	65	19	(	(	PUNCT
bibechana-74596	65	20	å	å	NOUN
bibechana-74596	65	21	)	)	PUNCT
bibechana-74596	65	22	d	d	NOUN
bibechana-74596	65	23	–	–	PUNCT
bibechana-74596	65	24	h	h	NOUN
bibechana-74596	65	25	·	·	PUNCT
bibechana-74596	65	26	·	·	PUNCT
bibechana-74596	65	27	·	·	PUNCT
bibechana-74596	65	28	a	a	DET
bibechana-74596	65	29	(	(	PUNCT
bibechana-74596	65	30	°	°	NOUN
bibechana-74596	65	31	)	)	PUNCT
bibechana-74596	65	32	rh	rh	PROPN
bibechana-74596	66	1	+	+	PROPN
bibechana-74596	66	2	ra	ra	PROPN
bibechana-74596	66	3	(	(	PUNCT
bibechana-74596	66	4	å	å	PROPN
bibechana-74596	66	5	)	)	PUNCT
bibechana-74596	66	6	c19	c19	NOUN
bibechana-74596	66	7	–	–	PUNCT
bibechana-74596	66	8	h39	h39	PROPN
bibechana-74596	66	9	·	·	PUNCT
bibechana-74596	66	10	·	·	PUNCT
bibechana-74596	66	11	·	·	PUNCT
bibechana-74596	66	12	o35	o35	PROPN
bibechana-74596	66	13	1.078	1.078	NUM
bibechana-74596	66	14	2.316	2.316	NUM
bibechana-74596	66	15	134.291	134.291	NUM
bibechana-74596	66	16	2.72	2.72	NUM
bibechana-74596	66	17	c15	c15	NOUN
bibechana-74596	66	18	–	–	PUNCT
bibechana-74596	66	19	h41	h41	NOUN
bibechana-74596	66	20	·	·	PUNCT
bibechana-74596	66	21	·	·	PUNCT
bibechana-74596	66	22	·	·	PUNCT
bibechana-74596	66	23	o7	o7	PROPN
bibechana-74596	66	24	1.090	1.090	NUM
bibechana-74596	66	25	2.405	2.405	NUM
bibechana-74596	66	26	135.688	135.688	NUM
bibechana-74596	66	27	2.72	2.72	NUM
bibechana-74596	66	28	o33	o33	NOUN
bibechana-74596	66	29	–	–	PUNCT
bibechana-74596	66	30	h34	h34	NOUN
bibechana-74596	66	31	·	·	PUNCT
bibechana-74596	66	32	·	·	PUNCT
bibechana-74596	66	33	·	·	PUNCT
bibechana-74596	66	34	o7	o7	PROPN
bibechana-74596	66	35	0.970	0.970	NUM
bibechana-74596	66	36	2.016	2.016	NUM
bibechana-74596	66	37	161.390	161.390	NUM
bibechana-74596	66	38	2.72	2.72	NUM
bibechana-74596	66	39	o10	o10	NUM
bibechana-74596	66	40	–	–	PUNCT
bibechana-74596	66	41	h11	h11	NOUN
bibechana-74596	66	42	·	·	PUNCT
bibechana-74596	66	43	·	·	PUNCT
bibechana-74596	66	44	·	·	PUNCT
bibechana-74596	66	45	o2	o2	PROPN
bibechana-74596	66	46	0.987	0.987	NUM
bibechana-74596	66	47	1.813	1.813	NUM
bibechana-74596	66	48	148.943	148.943	NUM
bibechana-74596	66	49	2.72	2.72	NUM
bibechana-74596	66	50	table	table	NOUN
bibechana-74596	66	51	2	2	NUM
bibechana-74596	66	52	:	:	PUNCT
bibechana-74596	66	53	topological	topological	ADJ
bibechana-74596	66	54	parameters	parameter	NOUN
bibechana-74596	66	55	for	for	ADP
bibechana-74596	66	56	intramolecular	intramolecular	ADJ
bibechana-74596	66	57	interaction	interaction	NOUN
bibechana-74596	66	58	of	of	ADP
bibechana-74596	66	59	gdp	gdp	NOUN
bibechana-74596	66	60	:	:	PUNCT
bibechana-74596	66	61	electron	electron	NOUN
bibechana-74596	66	62	density	density	NOUN
bibechana-74596	66	63	at	at	ADP
bibechana-74596	66	64	the	the	DET
bibechana-74596	66	65	bond	bond	NOUN
bibechana-74596	66	66	critical	critical	ADJ
bibechana-74596	66	67	point	point	NOUN
bibechana-74596	66	68	(	(	PUNCT
bibechana-74596	66	69	ρbcp	ρbcp	NOUN
bibechana-74596	66	70	)	)	PUNCT
bibechana-74596	66	71	,	,	PUNCT
bibechana-74596	66	72	laplacian	laplacian	NOUN
bibechana-74596	66	73	of	of	ADP
bibechana-74596	66	74	(	(	PUNCT
bibechana-74596	66	75	∇2ρbcp	∇2ρbcp	PROPN
bibechana-74596	66	76	)	)	PUNCT
bibechana-74596	66	77	,	,	PUNCT
bibechana-74596	66	78	electron	electron	NOUN
bibechana-74596	66	79	kinetic	kinetic	ADJ
bibechana-74596	66	80	energy	energy	NOUN
bibechana-74596	66	81	density	density	NOUN
bibechana-74596	66	82	(	(	PUNCT
bibechana-74596	66	83	gbcp	gbcp	NOUN
bibechana-74596	66	84	)	)	PUNCT
bibechana-74596	66	85	,	,	PUNCT
bibechana-74596	66	86	electron	electron	NOUN
bibechana-74596	66	87	potential	potential	ADJ
bibechana-74596	66	88	energy	energy	NOUN
bibechana-74596	66	89	density	density	NOUN
bibechana-74596	66	90	(	(	PUNCT
bibechana-74596	66	91	vbcp	vbcp	NOUN
bibechana-74596	66	92	)	)	PUNCT
bibechana-74596	66	93	,	,	PUNCT
bibechana-74596	66	94	total	total	ADJ
bibechana-74596	66	95	electron	electron	NOUN
bibechana-74596	66	96	energy	energy	NOUN
bibechana-74596	66	97	density	density	NOUN
bibechana-74596	66	98	(	(	PUNCT
bibechana-74596	66	99	hbcp	hbcp	NOUN
bibechana-74596	66	100	)	)	PUNCT
bibechana-74596	66	101	,	,	PUNCT
bibechana-74596	66	102	and	and	CCONJ
bibechana-74596	66	103	interaction	interaction	NOUN
bibechana-74596	66	104	energy	energy	NOUN
bibechana-74596	66	105	(	(	PUNCT
bibechana-74596	66	106	eint	eint	NOUN
bibechana-74596	66	107	)	)	PUNCT
bibechana-74596	66	108	at	at	ADP
bibechana-74596	66	109	the	the	DET
bibechana-74596	66	110	bcp	bcp	PROPN
bibechana-74596	66	111	.	.	PROPN
bibechana-74596	66	112	interaction	interaction	NOUN
bibechana-74596	66	113	bond	bond	NOUN
bibechana-74596	66	114	length	length	NOUN
bibechana-74596	66	115	(	(	PUNCT
bibechana-74596	66	116	å	å	NOUN
bibechana-74596	66	117	)	)	PUNCT
bibechana-74596	66	118	ρbcp	ρbcp	NOUN
bibechana-74596	66	119	(	(	PUNCT
bibechana-74596	66	120	a.u	a.u	PROPN
bibechana-74596	66	121	.	.	PROPN
bibechana-74596	66	122	)	)	PUNCT
bibechana-74596	67	1	∇2ρbcp	∇2ρbcp	PROPN
bibechana-74596	67	2	(	(	PUNCT
bibechana-74596	67	3	a.u	a.u	PROPN
bibechana-74596	67	4	.	.	NOUN
bibechana-74596	67	5	)	)	PUNCT
bibechana-74596	67	6	gbcp	gbcp	NOUN
bibechana-74596	67	7	(	(	PUNCT
bibechana-74596	67	8	a.u	a.u	PROPN
bibechana-74596	67	9	.	.	NOUN
bibechana-74596	67	10	)	)	PUNCT
bibechana-74596	67	11	vbcp	vbcp	NOUN
bibechana-74596	67	12	(	(	PUNCT
bibechana-74596	67	13	a.u	a.u	PROPN
bibechana-74596	67	14	.	.	NOUN
bibechana-74596	67	15	)	)	PUNCT
bibechana-74596	67	16	hbcp	hbcp	NOUN
bibechana-74596	67	17	(	(	PUNCT
bibechana-74596	67	18	a.u	a.u	PROPN
bibechana-74596	67	19	.	.	PROPN
bibechana-74596	67	20	)	)	PUNCT
bibechana-74596	67	21	eint	eint	NOUN
bibechana-74596	67	22	(	(	PUNCT
bibechana-74596	67	23	kcal	kcal	NOUN
bibechana-74596	67	24	/	/	SYM
bibechana-74596	67	25	mol	mol	NOUN
bibechana-74596	67	26	)	)	PUNCT
bibechana-74596	67	27	h39	h39	PROPN
bibechana-74596	67	28	·	·	PUNCT
bibechana-74596	67	29	·	·	PUNCT
bibechana-74596	67	30	·	·	PUNCT
bibechana-74596	67	31	o35	o35	PROPN
bibechana-74596	67	32	2.315	2.315	NUM
bibechana-74596	67	33	0.0114	0.0114	NUM
bibechana-74596	67	34	0.0427	0.0427	NUM
bibechana-74596	67	35	-0.0019	-0.0019	NOUN
bibechana-74596	67	36	-0.0069	-0.0069	NOUN
bibechana-74596	67	37	-0.0088	-0.0088	INTJ
bibechana-74596	67	38	-2.155	-2.155	PUNCT
bibechana-74596	67	39	h41	h41	NOUN
bibechana-74596	67	40	·	·	PUNCT
bibechana-74596	67	41	·	·	PUNCT
bibechana-74596	67	42	·	·	PUNCT
bibechana-74596	67	43	o7	o7	PROPN
bibechana-74596	67	44	2.405	2.405	NUM
bibechana-74596	67	45	0.0103	0.0103	NUM
bibechana-74596	67	46	0.0353	0.0353	NUM
bibechana-74596	67	47	-0.0014	-0.0014	NOUN
bibechana-74596	67	48	-0.0062	-0.0062	NOUN
bibechana-74596	67	49	-0.0076	-0.0076	NOUN
bibechana-74596	67	50	-1.937	-1.937	X
bibechana-74596	67	51	h34	h34	PROPN
bibechana-74596	67	52	·	·	PUNCT
bibechana-74596	67	53	·	·	PUNCT
bibechana-74596	67	54	·	·	PUNCT
bibechana-74596	67	55	o7	o7	PROPN
bibechana-74596	67	56	2.014	2.014	NUM
bibechana-74596	67	57	0.0170	0.0170	NUM
bibechana-74596	67	58	0.0710	0.0710	NUM
bibechana-74596	67	59	-0.0029	-0.0029	PROPN
bibechana-74596	67	60	-0.0119	-0.0119	PROPN
bibechana-74596	67	61	-0.0148	-0.0148	PROPN
bibechana-74596	68	1	-3.748	-3.748	PUNCT
bibechana-74596	69	1	h11	h11	PROPN
bibechana-74596	69	2	·	·	PUNCT
bibechana-74596	69	3	·	·	PUNCT
bibechana-74596	69	4	·	·	PUNCT
bibechana-74596	69	5	o2	o2	PROPN
bibechana-74596	69	6	1.813	1.813	NUM
bibechana-74596	69	7	0.0310	0.0310	NUM
bibechana-74596	69	8	0.1093	0.1093	NUM
bibechana-74596	69	9	-0.0005	-0.0005	NOUN
bibechana-74596	69	10	-0.0265	-0.0265	PUNCT
bibechana-74596	69	11	-0.0270	-0.0270	PUNCT
bibechana-74596	70	1	-8.311	-8.311	NOUN
bibechana-74596	70	2	3.2	3.2	NUM
bibechana-74596	70	3	non	non	ADJ
bibechana-74596	70	4	-	-	ADJ
bibechana-74596	70	5	covalent	covalent	ADJ
bibechana-74596	70	6	interaction	interaction	NOUN
bibechana-74596	70	7	analysis	analysis	NOUN
bibechana-74596	70	8	the	the	DET
bibechana-74596	70	9	non	non	ADJ
bibechana-74596	70	10	-	-	ADJ
bibechana-74596	70	11	covalent	covalent	ADJ
bibechana-74596	70	12	interaction	interaction	NOUN
bibechana-74596	70	13	analysis	analysis	NOUN
bibechana-74596	70	14	employed	employ	VERB
bibechana-74596	70	15	a	a	DET
bibechana-74596	70	16	reduced	reduce	VERB
bibechana-74596	70	17	density	density	NOUN
bibechana-74596	70	18	gradient	gradient	NOUN
bibechana-74596	70	19	(	(	PUNCT
bibechana-74596	70	20	rdg	rdg	NOUN
bibechana-74596	70	21	)	)	PUNCT
bibechana-74596	70	22	scatterplot	scatterplot	NOUN
bibechana-74596	70	23	to	to	PART
bibechana-74596	70	24	visualize	visualize	VERB
bibechana-74596	70	25	various	various	ADJ
bibechana-74596	70	26	interactions	interaction	NOUN
bibechana-74596	70	27	in	in	ADP
bibechana-74596	70	28	the	the	DET
bibechana-74596	70	29	chemical	chemical	NOUN
bibechana-74596	70	30	system	system	NOUN
bibechana-74596	70	31	using	use	VERB
bibechana-74596	70	32	electron	electron	NOUN
bibechana-74596	70	33	density	density	NOUN
bibechana-74596	70	34	and	and	CCONJ
bibechana-74596	70	35	its	its	PRON
bibechana-74596	70	36	derivative	derivative	NOUN
bibechana-74596	70	37	.	.	PUNCT
bibechana-74596	71	1	the	the	DET
bibechana-74596	71	2	graph	graph	NOUN
bibechana-74596	71	3	between	between	ADP
bibechana-74596	71	4	the	the	DET
bibechana-74596	71	5	sign(λ2)ρ	sign(λ2)ρ	NOUN
bibechana-74596	71	6	and	and	CCONJ
bibechana-74596	71	7	a	a	DET
bibechana-74596	71	8	dimensionless	dimensionless	NOUN
bibechana-74596	71	9	parameter	parameter	NOUN
bibechana-74596	71	10	rdg	rdg	NOUN
bibechana-74596	71	11	insight	insight	NOUN
bibechana-74596	71	12	into	into	ADP
bibechana-74596	71	13	the	the	DET
bibechana-74596	71	14	intensity	intensity	NOUN
bibechana-74596	71	15	of	of	ADP
bibechana-74596	71	16	the	the	DET
bibechana-74596	71	17	interaction	interaction	NOUN
bibechana-74596	71	18	.	.	PUNCT
bibechana-74596	72	1	the	the	DET
bibechana-74596	72	2	value	value	NOUN
bibechana-74596	72	3	of	of	ADP
bibechana-74596	72	4	rdg	rdg	NOUN
bibechana-74596	72	5	can	can	AUX
bibechana-74596	72	6	be	be	AUX
bibechana-74596	72	7	evaluated	evaluate	VERB
bibechana-74596	72	8	by	by	ADP
bibechana-74596	72	9	the	the	DET
bibechana-74596	72	10	following	follow	VERB
bibechana-74596	72	11	equation	equation	NOUN
bibechana-74596	72	12	:	:	PUNCT
bibechana-74596	73	1	[	[	X
bibechana-74596	73	2	23,24	23,24	X
bibechana-74596	73	3	]	]	X
bibechana-74596	73	4	rdg(r	rdg(r	NOUN
bibechana-74596	73	5	)	)	PUNCT
bibechana-74596	73	6	=	=	SYM
bibechana-74596	73	7	1	1	NUM
bibechana-74596	73	8	2(3π2	2(3π2	NUM
bibechana-74596	73	9	)	)	PUNCT
bibechana-74596	73	10	1	1	NUM
bibechana-74596	73	11	3	3	NUM
bibechana-74596	73	12	|∇ρ(r)|	|∇ρ(r)|	PROPN
bibechana-74596	73	13	ρ(r	ρ(r	PROPN
bibechana-74596	73	14	)	)	PUNCT
bibechana-74596	73	15	4	4	NUM
bibechana-74596	73	16	3	3	NUM
bibechana-74596	73	17	different	different	ADJ
bibechana-74596	73	18	colour	colour	NOUN
bibechana-74596	73	19	codes	code	NOUN
bibechana-74596	73	20	are	be	AUX
bibechana-74596	73	21	used	use	VERB
bibechana-74596	73	22	for	for	ADP
bibechana-74596	73	23	different	different	ADJ
bibechana-74596	73	24	types	type	NOUN
bibechana-74596	73	25	of	of	ADP
bibechana-74596	73	26	non	non	ADJ
bibechana-74596	73	27	-	-	ADJ
bibechana-74596	73	28	covalent	covalent	ADJ
bibechana-74596	73	29	interactions	interaction	NOUN
bibechana-74596	73	30	.	.	PUNCT
bibechana-74596	74	1	weak	weak	ADJ
bibechana-74596	74	2	van	van	PROPN
bibechana-74596	74	3	der	der	NOUN
bibechana-74596	74	4	waals	waal	NOUN
bibechana-74596	74	5	force	force	NOUN
bibechana-74596	74	6	of	of	ADP
bibechana-74596	74	7	attraction	attraction	NOUN
bibechana-74596	74	8	is	be	AUX
bibechana-74596	74	9	represented	represent	VERB
bibechana-74596	74	10	by	by	ADP
bibechana-74596	74	11	green	green	ADJ
bibechana-74596	74	12	with	with	ADP
bibechana-74596	74	13	the	the	DET
bibechana-74596	74	14	value	value	NOUN
bibechana-74596	74	15	of	of	ADP
bibechana-74596	74	16	sign(λ2)ρ	sign(λ2)ρ	PROPN
bibechana-74596	74	17	≈0	≈0	PROPN
bibechana-74596	74	18	.	.	PUNCT
bibechana-74596	75	1	steric	steric	ADJ
bibechana-74596	75	2	repulsion	repulsion	NOUN
bibechana-74596	75	3	between	between	ADP
bibechana-74596	75	4	interacting	interact	VERB
bibechana-74596	75	5	species	specie	NOUN
bibechana-74596	75	6	is	be	AUX
bibechana-74596	75	7	represented	represent	VERB
bibechana-74596	75	8	by	by	ADP
bibechana-74596	75	9	red	red	ADJ
bibechana-74596	75	10	with	with	ADP
bibechana-74596	75	11	the	the	DET
bibechana-74596	75	12	value	value	NOUN
bibechana-74596	75	13	of	of	ADP
bibechana-74596	75	14	sign(λ2)ρ	sign(λ2)ρ	NOUN
bibechana-74596	75	15	>	>	PUNCT
bibechana-74596	75	16	0	0	PUNCT
bibechana-74596	76	1	and	and	CCONJ
bibechana-74596	76	2	strong	strong	ADJ
bibechana-74596	76	3	hydrogen	hydrogen	NOUN
bibechana-74596	76	4	bonding	bonding	NOUN
bibechana-74596	76	5	interaction	interaction	NOUN
bibechana-74596	76	6	is	be	AUX
bibechana-74596	76	7	represented	represent	VERB
bibechana-74596	76	8	by	by	ADP
bibechana-74596	76	9	blue	blue	ADJ
bibechana-74596	76	10	,	,	PUNCT
bibechana-74596	76	11	with	with	ADP
bibechana-74596	76	12	the	the	DET
bibechana-74596	76	13	value	value	NOUN
bibechana-74596	76	14	of	of	ADP
bibechana-74596	76	15	sign(λ2)ρ	sign(λ2)ρ	NOUN
bibechana-74596	76	16	<	<	X
bibechana-74596	76	17	0	0	PUNCT
bibechana-74596	77	1	[	[	X
bibechana-74596	77	2	25	25	NUM
bibechana-74596	77	3	]	]	PUNCT
bibechana-74596	77	4	.	.	PUNCT
bibechana-74596	78	1	the	the	DET
bibechana-74596	78	2	2d	2d	PROPN
bibechana-74596	78	3	-	-	PUNCT
bibechana-74596	78	4	nci	nci	PROPN
bibechana-74596	78	5	rdg	rdg	NOUN
bibechana-74596	78	6	graph	graph	NOUN
bibechana-74596	78	7	and	and	CCONJ
bibechana-74596	78	8	its	its	PRON
bibechana-74596	78	9	3d	3d	PROPN
bibechana-74596	78	10	isosurface	isosurface	NOUN
bibechana-74596	78	11	for	for	ADP
bibechana-74596	78	12	the	the	DET
bibechana-74596	78	13	visualisation	visualisation	NOUN
bibechana-74596	78	14	of	of	ADP
bibechana-74596	78	15	non	non	ADJ
bibechana-74596	78	16	-	-	ADJ
bibechana-74596	78	17	covalent	covalent	ADJ
bibechana-74596	78	18	interaction	interaction	NOUN
bibechana-74596	78	19	are	be	AUX
bibechana-74596	78	20	shown	show	VERB
bibechana-74596	78	21	in	in	ADP
bibechana-74596	78	22	figs	fig	NOUN
bibechana-74596	78	23	,	,	PUNCT
bibechana-74596	78	24	3	3	NUM
bibechana-74596	78	25	(	(	PUNCT
bibechana-74596	78	26	a	a	NOUN
bibechana-74596	78	27	)	)	PUNCT
bibechana-74596	78	28	and	and	CCONJ
bibechana-74596	78	29	(	(	PUNCT
bibechana-74596	78	30	b	b	NOUN
bibechana-74596	78	31	)	)	PUNCT
bibechana-74596	78	32	.	.	PUNCT
bibechana-74596	79	1	the	the	DET
bibechana-74596	79	2	rdg	rdg	NOUN
bibechana-74596	79	3	isosurface	isosurface	NOUN
bibechana-74596	79	4	illustrates	illustrate	VERB
bibechana-74596	79	5	that	that	SCONJ
bibechana-74596	79	6	the	the	DET
bibechana-74596	79	7	green	green	ADJ
bibechana-74596	79	8	colour	colour	NOUN
bibechana-74596	79	9	flaky	flaky	ADJ
bibechana-74596	79	10	patches	patch	NOUN
bibechana-74596	79	11	appeared	appear	VERB
bibechana-74596	79	12	between	between	ADP
bibechana-74596	79	13	oxygen	oxygen	NOUN
bibechana-74596	79	14	and	and	CCONJ
bibechana-74596	79	15	hydrogen	hydrogen	NOUN
bibechana-74596	79	16	and	and	CCONJ
bibechana-74596	79	17	nitrogen	nitrogen	NOUN
bibechana-74596	79	18	and	and	CCONJ
bibechana-74596	79	19	hydrogen	hydrogen	NOUN
bibechana-74596	79	20	,	,	PUNCT
bibechana-74596	79	21	which	which	PRON
bibechana-74596	79	22	represent	represent	VERB
bibechana-74596	79	23	the	the	DET
bibechana-74596	79	24	van	van	PROPN
bibechana-74596	79	25	der	der	NOUN
bibechana-74596	79	26	waals	waal	NOUN
bibechana-74596	79	27	interactions	interaction	NOUN
bibechana-74596	79	28	between	between	ADP
bibechana-74596	79	29	them	they	PRON
bibechana-74596	79	30	that	that	PRON
bibechana-74596	79	31	are	be	AUX
bibechana-74596	79	32	seen	see	VERB
bibechana-74596	79	33	in	in	ADP
bibechana-74596	79	34	the	the	DET
bibechana-74596	79	35	rdg	rdg	NOUN
bibechana-74596	79	36	scatter	scatter	NOUN
bibechana-74596	79	37	graph	graph	NOUN
bibechana-74596	79	38	in	in	ADP
bibechana-74596	79	39	the	the	DET
bibechana-74596	79	40	region	region	NOUN
bibechana-74596	79	41	of	of	ADP
bibechana-74596	79	42	0.01	0.01	NUM
bibechana-74596	79	43	to	to	PART
bibechana-74596	79	44	0.005	0.005	NUM
bibechana-74596	79	45	a.u	a.u	PROPN
bibechana-74596	79	46	.	.	PUNCT
bibechana-74596	80	1	the	the	DET
bibechana-74596	80	2	red	red	ADJ
bibechana-74596	80	3	spikes	spike	NOUN
bibechana-74596	80	4	seen	see	VERB
bibechana-74596	80	5	in	in	ADP
bibechana-74596	80	6	the	the	DET
bibechana-74596	80	7	rdg	rdg	NOUN
bibechana-74596	80	8	scatter	scatter	NOUN
bibechana-74596	80	9	graph	graph	NOUN
bibechana-74596	80	10	cover	cover	VERB
bibechana-74596	80	11	a	a	DET
bibechana-74596	80	12	wide	wide	ADJ
bibechana-74596	80	13	range	range	NOUN
bibechana-74596	80	14	from	from	ADP
bibechana-74596	80	15	0.01	0.01	NUM
bibechana-74596	80	16	to	to	PART
bibechana-74596	80	17	0.05	0.05	NUM
bibechana-74596	80	18	a.u	a.u	PROPN
bibechana-74596	80	19	.	.	PROPN
bibechana-74596	80	20	,	,	PUNCT
bibechana-74596	80	21	highlighting	highlight	VERB
bibechana-74596	80	22	the	the	DET
bibechana-74596	80	23	repulsion	repulsion	NOUN
bibechana-74596	80	24	between	between	ADP
bibechana-74596	80	25	the	the	DET
bibechana-74596	80	26	carbon	carbon	NOUN
bibechana-74596	80	27	atoms	atom	NOUN
bibechana-74596	80	28	of	of	ADP
bibechana-74596	80	29	rings	ring	NOUN
bibechana-74596	80	30	r1	r1	PROPN
bibechana-74596	80	31	,	,	PUNCT
bibechana-74596	80	32	r2	r2	PROPN
bibechana-74596	80	33	,	,	PUNCT
bibechana-74596	80	34	and	and	CCONJ
bibechana-74596	80	35	r3	r3	PROPN
bibechana-74596	80	36	,	,	PUNCT
bibechana-74596	80	37	which	which	PRON
bibechana-74596	80	38	is	be	AUX
bibechana-74596	80	39	dominant	dominant	ADJ
bibechana-74596	80	40	over	over	ADP
bibechana-74596	80	41	hydrogen	hydrogen	NOUN
bibechana-74596	80	42	bonding	bonding	NOUN
bibechana-74596	80	43	and	and	CCONJ
bibechana-74596	80	44	van	van	PROPN
bibechana-74596	80	45	der	der	NOUN
bibechana-74596	80	46	waals	waal	NOUN
bibechana-74596	80	47	force	force	NOUN
bibechana-74596	80	48	of	of	ADP
bibechana-74596	80	49	attraction	attraction	NOUN
bibechana-74596	80	50	.	.	PUNCT
bibechana-74596	81	1	the	the	DET
bibechana-74596	81	2	strong	strong	ADJ
bibechana-74596	81	3	intramolecular	intramolecular	ADJ
bibechana-74596	81	4	hydrogen	hydrogen	NOUN
bibechana-74596	81	5	bond	bond	NOUN
bibechana-74596	81	6	between	between	ADP
bibechana-74596	81	7	h11	h11	PROPN
bibechana-74596	81	8	and	and	CCONJ
bibechana-74596	81	9	o2	o2	PROPN
bibechana-74596	81	10	is	be	AUX
bibechana-74596	81	11	seen	see	VERB
bibechana-74596	81	12	in	in	ADP
bibechana-74596	81	13	the	the	DET
bibechana-74596	81	14	isosurface	isosurface	NOUN
bibechana-74596	81	15	by	by	ADP
bibechana-74596	81	16	the	the	DET
bibechana-74596	81	17	blue	blue	ADJ
bibechana-74596	81	18	colour	colour	NOUN
bibechana-74596	81	19	,	,	PUNCT
bibechana-74596	81	20	which	which	PRON
bibechana-74596	81	21	is	be	AUX
bibechana-74596	81	22	observed	observe	VERB
bibechana-74596	81	23	in	in	ADP
bibechana-74596	81	24	the	the	DET
bibechana-74596	81	25	rdg	rdg	NOUN
bibechana-74596	81	26	scatter	scatter	NOUN
bibechana-74596	81	27	graph	graph	NOUN
bibechana-74596	81	28	with	with	ADP
bibechana-74596	81	29	blue	blue	ADJ
bibechana-74596	81	30	spikes	spike	NOUN
bibechana-74596	81	31	in	in	ADP
bibechana-74596	81	32	the	the	DET
bibechana-74596	81	33	range	range	NOUN
bibechana-74596	81	34	of	of	ADP
bibechana-74596	81	35	0.03	0.03	NUM
bibechana-74596	81	36	to	to	PART
bibechana-74596	81	37	0.05	0.05	NUM
bibechana-74596	81	38	a.u	a.u	PROPN
bibechana-74596	81	39	.	.	PROPN
bibechana-74596	81	40	nci	nci	PROPN
bibechana-74596	81	41	analysis	analysis	NOUN
bibechana-74596	81	42	reveals	reveal	VERB
bibechana-74596	81	43	that	that	SCONJ
bibechana-74596	81	44	the	the	DET
bibechana-74596	81	45	intra	intra	ADJ
bibechana-74596	81	46	-	-	ADJ
bibechana-74596	81	47	molecular	molecular	ADJ
bibechana-74596	81	48	hydrogen	hydrogen	NOUN
bibechana-74596	81	49	bonds	bond	NOUN
bibechana-74596	81	50	h39	h39	VERB
bibechana-74596	81	51	...	...	SYM
bibechana-74596	81	52	o35	o35	PROPN
bibechana-74596	81	53	,	,	PUNCT
bibechana-74596	81	54	h41	h41	NOUN
bibechana-74596	81	55	...	...	PUNCT
bibechana-74596	81	56	o7	o7	PROPN
bibechana-74596	81	57	,	,	PUNCT
bibechana-74596	81	58	and	and	CCONJ
bibechana-74596	81	59	h34	h34	NOUN
bibechana-74596	81	60	...	...	PUNCT
bibechana-74596	81	61	o7	o7	PROPN
bibechana-74596	81	62	exhibit	exhibit	VERB
bibechana-74596	81	63	weak	weak	ADJ
bibechana-74596	81	64	van	van	PROPN
bibechana-74596	81	65	der	der	NOUN
bibechana-74596	81	66	waals	waal	NOUN
bibechana-74596	81	67	forces	force	NOUN
bibechana-74596	81	68	of	of	ADP
bibechana-74596	81	69	attraction	attraction	NOUN
bibechana-74596	81	70	,	,	PUNCT
bibechana-74596	81	71	while	while	SCONJ
bibechana-74596	81	72	the	the	DET
bibechana-74596	81	73	intra	intra	ADJ
bibechana-74596	81	74	-	-	ADJ
bibechana-74596	81	75	molecular	molecular	ADJ
bibechana-74596	81	76	hydrogen	hydrogen	NOUN
bibechana-74596	81	77	bond	bond	NOUN
bibechana-74596	81	78	o10	o10	PROPN
bibechana-74596	81	79	-	-	PUNCT
bibechana-74596	81	80	h11	h11	NOUN
bibechana-74596	81	81	...	...	PUNCT
bibechana-74596	81	82	o2	o2	PROPN
bibechana-74596	81	83	is	be	AUX
bibechana-74596	81	84	a	a	DET
bibechana-74596	81	85	strong	strong	ADJ
bibechana-74596	81	86	hydrogen	hydrogen	NOUN
bibechana-74596	81	87	bond	bond	NOUN
bibechana-74596	81	88	,	,	PUNCT
bibechana-74596	81	89	which	which	PRON
bibechana-74596	81	90	was	be	AUX
bibechana-74596	81	91	also	also	ADV
bibechana-74596	81	92	justified	justify	VERB
bibechana-74596	81	93	by	by	ADP
bibechana-74596	81	94	qtaim	qtaim	NOUN
bibechana-74596	81	95	analysis	analysis	NOUN
bibechana-74596	81	96	.	.	PUNCT
bibechana-74596	82	1	manoj	manoj	PROPN
bibechana-74596	82	2	kumar	kumar	PROPN
bibechana-74596	82	3	chaudhary	chaudhary	PROPN
bibechana-74596	82	4	et	et	PROPN
bibechana-74596	82	5	al./	al./	ADV
bibechana-74596	82	6	bibechana	bibechana	PROPN
bibechana-74596	82	7	22	22	NUM
bibechana-74596	82	8	(	(	PUNCT
bibechana-74596	82	9	2025	2025	NUM
bibechana-74596	82	10	)	)	PUNCT
bibechana-74596	82	11	205	205	NUM
bibechana-74596	82	12	-	-	SYM
bibechana-74596	82	13	214	214	NUM
bibechana-74596	82	14	208	208	NUM
bibechana-74596	82	15	(	(	PUNCT
bibechana-74596	82	16	a	a	NOUN
bibechana-74596	82	17	)	)	PUNCT
bibechana-74596	82	18	(	(	PUNCT
bibechana-74596	82	19	b	b	X
bibechana-74596	82	20	)	)	PUNCT
bibechana-74596	82	21	figure	figure	NOUN
bibechana-74596	82	22	3	3	NUM
bibechana-74596	82	23	:	:	PUNCT
bibechana-74596	82	24	(	(	PUNCT
bibechana-74596	82	25	a	a	X
bibechana-74596	82	26	)	)	PUNCT
bibechana-74596	82	27	rdg	rdg	NOUN
bibechana-74596	82	28	scatter	scatter	NOUN
bibechana-74596	82	29	plot	plot	NOUN
bibechana-74596	82	30	of	of	ADP
bibechana-74596	82	31	gdp	gdp	NOUN
bibechana-74596	82	32	and	and	CCONJ
bibechana-74596	82	33	(	(	PUNCT
bibechana-74596	82	34	b	b	NOUN
bibechana-74596	82	35	)	)	PUNCT
bibechana-74596	82	36	3d	3d	NOUN
bibechana-74596	82	37	isosurface	isosurface	NOUN
bibechana-74596	82	38	showing	show	VERB
bibechana-74596	82	39	non	non	ADJ
bibechana-74596	82	40	-	-	ADJ
bibechana-74596	82	41	covalent	covalent	ADJ
bibechana-74596	82	42	interactions	interaction	NOUN
bibechana-74596	82	43	in	in	ADP
bibechana-74596	82	44	gdp	gdp	NOUN
bibechana-74596	82	45	.	.	PROPN
bibechana-74596	82	46	3.3	3.3	NUM
bibechana-74596	82	47	spectroscopic	spectroscopic	ADJ
bibechana-74596	82	48	studies	study	NOUN
bibechana-74596	82	49	he	he	PRON
bibechana-74596	82	50	number	number	NOUN
bibechana-74596	82	51	of	of	ADP
bibechana-74596	82	52	mode	mode	NOUN
bibechana-74596	82	53	of	of	ADP
bibechana-74596	82	54	vibration	vibration	NOUN
bibechana-74596	82	55	of	of	ADP
bibechana-74596	82	56	the	the	DET
bibechana-74596	82	57	molecular	molecular	ADJ
bibechana-74596	82	58	system	system	NOUN
bibechana-74596	82	59	is	be	AUX
bibechana-74596	82	60	explained	explain	VERB
bibechana-74596	82	61	by	by	ADP
bibechana-74596	82	62	the	the	DET
bibechana-74596	82	63	relation	relation	NOUN
bibechana-74596	82	64	3n-6	3n-6	PROPN
bibechana-74596	82	65	,	,	PUNCT
bibechana-74596	82	66	where	where	SCONJ
bibechana-74596	82	67	n	n	PRON
bibechana-74596	82	68	is	be	AUX
bibechana-74596	82	69	the	the	DET
bibechana-74596	82	70	number	number	NOUN
bibechana-74596	82	71	of	of	ADP
bibechana-74596	82	72	atoms	atom	NOUN
bibechana-74596	82	73	in	in	ADP
bibechana-74596	82	74	the	the	DET
bibechana-74596	82	75	molecule	molecule	NOUN
bibechana-74596	82	76	.	.	PUNCT
bibechana-74596	83	1	the	the	DET
bibechana-74596	83	2	gdp	gdp	NOUN
bibechana-74596	83	3	molecule	molecule	NOUN
bibechana-74596	83	4	has	have	VERB
bibechana-74596	83	5	43	43	NUM
bibechana-74596	83	6	atoms	atom	NOUN
bibechana-74596	83	7	so	so	SCONJ
bibechana-74596	83	8	there	there	PRON
bibechana-74596	83	9	are	be	VERB
bibechana-74596	83	10	123	123	NUM
bibechana-74596	83	11	modes	mode	NOUN
bibechana-74596	83	12	of	of	ADP
bibechana-74596	83	13	vibration	vibration	NOUN
bibechana-74596	83	14	.	.	PUNCT
bibechana-74596	84	1	the	the	DET
bibechana-74596	84	2	ft	ft	PROPN
bibechana-74596	84	3	-	-	PUNCT
bibechana-74596	84	4	ir	ir	PROPN
bibechana-74596	84	5	and	and	CCONJ
bibechana-74596	84	6	the	the	DET
bibechana-74596	84	7	ft	ft	NOUN
bibechana-74596	84	8	-	-	PUNCT
bibechana-74596	84	9	raman	raman	NOUN
bibechana-74596	84	10	of	of	ADP
bibechana-74596	84	11	the	the	DET
bibechana-74596	84	12	investigated	investigate	VERB
bibechana-74596	84	13	molecule	molecule	NOUN
bibechana-74596	84	14	has	have	AUX
bibechana-74596	84	15	been	be	AUX
bibechana-74596	84	16	examined	examine	VERB
bibechana-74596	84	17	from	from	ADP
bibechana-74596	84	18	same	same	ADJ
bibechana-74596	84	19	level	level	NOUN
bibechana-74596	84	20	of	of	ADP
bibechana-74596	84	21	theory	theory	NOUN
bibechana-74596	84	22	.	.	PUNCT
bibechana-74596	85	1	the	the	DET
bibechana-74596	85	2	calculated	calculate	VERB
bibechana-74596	85	3	spectrum	spectrum	NOUN
bibechana-74596	85	4	of	of	ADP
bibechana-74596	85	5	ftir	ftir	PROPN
bibechana-74596	85	6	is	be	AUX
bibechana-74596	85	7	presented	present	VERB
bibechana-74596	85	8	in	in	ADP
bibechana-74596	85	9	figure	figure	NOUN
bibechana-74596	85	10	4	4	NUM
bibechana-74596	85	11	and	and	CCONJ
bibechana-74596	85	12	the	the	DET
bibechana-74596	85	13	calculated	calculate	VERB
bibechana-74596	85	14	ftraman	ftraman	NOUN
bibechana-74596	85	15	is	be	AUX
bibechana-74596	85	16	presented	present	VERB
bibechana-74596	85	17	in	in	ADP
bibechana-74596	85	18	figure	figure	NOUN
bibechana-74596	85	19	5	5	NUM
bibechana-74596	85	20	.	.	PUNCT
bibechana-74596	86	1	the	the	DET
bibechana-74596	86	2	dft	dft	PROPN
bibechana-74596	86	3	calculation	calculation	NOUN
bibechana-74596	86	4	is	be	AUX
bibechana-74596	86	5	used	use	VERB
bibechana-74596	86	6	to	to	PART
bibechana-74596	86	7	obtain	obtain	VERB
bibechana-74596	86	8	the	the	DET
bibechana-74596	86	9	raman	raman	NOUN
bibechana-74596	86	10	intensities	intensity	NOUN
bibechana-74596	86	11	but	but	CCONJ
bibechana-74596	86	12	it	it	PRON
bibechana-74596	86	13	depends	depend	VERB
bibechana-74596	86	14	on	on	ADP
bibechana-74596	86	15	the	the	DET
bibechana-74596	86	16	raman	raman	NOUN
bibechana-74596	86	17	scattering	scatter	VERB
bibechana-74596	86	18	amplitudes	amplitude	NOUN
bibechana-74596	86	19	and	and	CCONJ
bibechana-74596	86	20	the	the	DET
bibechana-74596	86	21	raman	raman	NOUN
bibechana-74596	86	22	scattering	scatter	VERB
bibechana-74596	86	23	cross	cross	ADJ
bibechana-74596	86	24	-	-	ADJ
bibechana-74596	86	25	section∂σj	section∂σj	ADJ
bibechana-74596	86	26	∂ω	∂ω	PROPN
bibechana-74596	86	27	.	.	PUNCT
bibechana-74596	87	1	the	the	DET
bibechana-74596	87	2	raman	raman	NOUN
bibechana-74596	87	3	scattering	scatter	VERB
bibechana-74596	87	4	amplitude	amplitude	NOUN
bibechana-74596	87	5	gives	give	VERB
bibechana-74596	87	6	raman	raman	NOUN
bibechana-74596	87	7	intensity	intensity	NOUN
bibechana-74596	87	8	for	for	ADP
bibechana-74596	87	9	each	each	DET
bibechana-74596	87	10	normal	normal	ADJ
bibechana-74596	87	11	mode	mode	NOUN
bibechana-74596	87	12	of	of	ADP
bibechana-74596	87	13	vibration	vibration	NOUN
bibechana-74596	87	14	and	and	CCONJ
bibechana-74596	87	15	is	be	AUX
bibechana-74596	87	16	given	give	VERB
bibechana-74596	87	17	by	by	ADP
bibechana-74596	87	18	the	the	DET
bibechana-74596	87	19	relation	relation	NOUN
bibechana-74596	87	20	[	[	X
bibechana-74596	87	21	26,27	26,27	NUM
bibechana-74596	87	22	]	]	PUNCT
bibechana-74596	87	23	.	.	PUNCT
bibechana-74596	88	1	∂σj	∂σj	PROPN
bibechana-74596	88	2	∂ω	∂ω	PROPN
bibechana-74596	88	3	=	=	PUNCT
bibechana-74596	88	4	(	(	PUNCT
bibechana-74596	88	5	24π4	24π4	NUM
bibechana-74596	88	6	45	45	NUM
bibechana-74596	88	7	)	)	PUNCT
bibechana-74596	88	8			PROPN
bibechana-74596	88	9	(	(	PUNCT
bibechana-74596	88	10	ν0	ν0	PROPN
bibechana-74596	88	11	−	−	PROPN
bibechana-74596	88	12	νj	νj	NOUN
bibechana-74596	88	13	)	)	PUNCT
bibechana-74596	88	14	4	4	NUM
bibechana-74596	88	15	1−	1−	NUM
bibechana-74596	88	16	exp	exp	NOUN
bibechana-74596	88	17	[	[	PUNCT
bibechana-74596	88	18	−hcνj	−hcνj	NOUN
bibechana-74596	88	19	kt	kt	X
bibechana-74596	88	20	]	]	PUNCT
bibechana-74596	88	21			PROPN
bibechana-74596	88	22	(	(	PUNCT
bibechana-74596	88	23	h	h	NOUN
bibechana-74596	88	24	8π2cνj	8π2cνj	PROPN
bibechana-74596	88	25	)	)	PUNCT
bibechana-74596	88	26	sj	sj	INTJ
bibechana-74596	88	27	where	where	SCONJ
bibechana-74596	88	28	sj=	sj=	PROPN
bibechana-74596	88	29	scattering	scattering	NOUN
bibechana-74596	88	30	activities	activity	NOUN
bibechana-74596	88	31	,	,	PUNCT
bibechana-74596	88	32	νj	νj	NOUN
bibechana-74596	88	33	=	=	PUNCT
bibechana-74596	88	34	predicted	predict	VERB
bibechana-74596	88	35	wave	wave	NOUN
bibechana-74596	88	36	numbers	number	NOUN
bibechana-74596	88	37	for	for	ADP
bibechana-74596	88	38	jth	jth	PROPN
bibechana-74596	88	39	normal	normal	ADJ
bibechana-74596	88	40	mode	mode	NOUN
bibechana-74596	88	41	,	,	PUNCT
bibechana-74596	88	42	ν0=	ν0=	PROPN
bibechana-74596	88	43	wavenumber	wavenumber	NOUN
bibechana-74596	88	44	of	of	ADP
bibechana-74596	88	45	raman	raman	NOUN
bibechana-74596	88	46	excited	excited	ADJ
bibechana-74596	88	47	state	state	NOUN
bibechana-74596	88	48	and	and	CCONJ
bibechana-74596	88	49	h	h	NOUN
bibechana-74596	88	50	,	,	PUNCT
bibechana-74596	88	51	c	c	PROPN
bibechana-74596	88	52	and	and	CCONJ
bibechana-74596	88	53	k	k	PROPN
bibechana-74596	88	54	are	be	AUX
bibechana-74596	88	55	universal	universal	ADJ
bibechana-74596	88	56	constants	constant	NOUN
bibechana-74596	88	57	.	.	PUNCT
bibechana-74596	89	1	the	the	DET
bibechana-74596	89	2	calculated	calculated	ADJ
bibechana-74596	89	3	wavenumber	wavenumber	NOUN
bibechana-74596	89	4	is	be	AUX
bibechana-74596	89	5	more	more	ADJ
bibechana-74596	89	6	than	than	ADP
bibechana-74596	89	7	the	the	DET
bibechana-74596	89	8	experimental	experimental	ADJ
bibechana-74596	89	9	one	one	NOUN
bibechana-74596	89	10	due	due	ADP
bibechana-74596	89	11	to	to	ADP
bibechana-74596	89	12	anharmonicity	anharmonicity	NOUN
bibechana-74596	89	13	.	.	PUNCT
bibechana-74596	90	1	so	so	ADV
bibechana-74596	90	2	,	,	PUNCT
bibechana-74596	90	3	to	to	PART
bibechana-74596	90	4	reduce	reduce	VERB
bibechana-74596	90	5	the	the	DET
bibechana-74596	90	6	calculated	calculate	VERB
bibechana-74596	90	7	wave	wave	NOUN
bibechana-74596	90	8	number	number	NOUN
bibechana-74596	90	9	the	the	DET
bibechana-74596	90	10	linear	linear	ADJ
bibechana-74596	90	11	wavenumber	wavenumber	NOUN
bibechana-74596	90	12	linear	linear	NOUN
bibechana-74596	90	13	scaling	scaling	NOUN
bibechana-74596	90	14	(	(	PUNCT
bibechana-74596	90	15	wls	wls	NOUN
bibechana-74596	90	16	)	)	PUNCT
bibechana-74596	90	17	factor	factor	NOUN
bibechana-74596	90	18	is	be	AUX
bibechana-74596	90	19	used	use	VERB
bibechana-74596	90	20	[	[	X
bibechana-74596	90	21	28	28	NUM
bibechana-74596	90	22	,	,	PUNCT
bibechana-74596	90	23	29	29	NUM
bibechana-74596	90	24	]	]	PUNCT
bibechana-74596	90	25	.	.	PUNCT
bibechana-74596	91	1	the	the	DET
bibechana-74596	91	2	functional	functional	ADJ
bibechana-74596	91	3	groups	group	NOUN
bibechana-74596	91	4	are	be	AUX
bibechana-74596	91	5	the	the	DET
bibechana-74596	91	6	active	active	ADJ
bibechana-74596	91	7	parts	part	NOUN
bibechana-74596	91	8	of	of	ADP
bibechana-74596	91	9	gdp	gdp	NOUN
bibechana-74596	91	10	and	and	CCONJ
bibechana-74596	91	11	can	can	AUX
bibechana-74596	91	12	play	play	VERB
bibechana-74596	91	13	a	a	DET
bibechana-74596	91	14	vital	vital	ADJ
bibechana-74596	91	15	role	role	NOUN
bibechana-74596	91	16	in	in	ADP
bibechana-74596	91	17	biological	biological	ADJ
bibechana-74596	91	18	action	action	NOUN
bibechana-74596	91	19	through	through	ADP
bibechana-74596	91	20	different	different	ADJ
bibechana-74596	91	21	intermolecular	intermolecular	ADJ
bibechana-74596	91	22	interactions	interaction	NOUN
bibechana-74596	91	23	.	.	PUNCT
bibechana-74596	92	1	these	these	DET
bibechana-74596	92	2	active	active	ADJ
bibechana-74596	92	3	parts	part	NOUN
bibechana-74596	92	4	also	also	ADV
bibechana-74596	92	5	participate	participate	VERB
bibechana-74596	92	6	in	in	ADP
bibechana-74596	92	7	intra	intra	ADJ
bibechana-74596	92	8	-	-	ADJ
bibechana-74596	92	9	molecular	molecular	ADJ
bibechana-74596	92	10	hydrogen	hydrogen	NOUN
bibechana-74596	92	11	bonding	bonding	NOUN
bibechana-74596	92	12	.	.	PUNCT
bibechana-74596	93	1	the	the	DET
bibechana-74596	93	2	signature	signature	NOUN
bibechana-74596	93	3	of	of	ADP
bibechana-74596	93	4	functional	functional	ADJ
bibechana-74596	93	5	groups	group	NOUN
bibechana-74596	93	6	are	be	AUX
bibechana-74596	93	7	seen	see	VERB
bibechana-74596	93	8	in	in	ADP
bibechana-74596	93	9	higher	high	ADJ
bibechana-74596	93	10	wavenumber	wavenumber	NOUN
bibechana-74596	93	11	in	in	ADP
bibechana-74596	93	12	pure	pure	ADJ
bibechana-74596	93	13	form	form	NOUN
bibechana-74596	93	14	but	but	CCONJ
bibechana-74596	93	15	the	the	DET
bibechana-74596	93	16	signature	signature	NOUN
bibechana-74596	93	17	at	at	ADP
bibechana-74596	93	18	lower	low	ADJ
bibechana-74596	93	19	wave	wave	NOUN
bibechana-74596	93	20	number	number	NOUN
bibechana-74596	93	21	is	be	AUX
bibechana-74596	93	22	determined	determine	VERB
bibechana-74596	93	23	the	the	DET
bibechana-74596	93	24	fingerprint	fingerprint	NOUN
bibechana-74596	93	25	regions	region	NOUN
bibechana-74596	93	26	of	of	ADP
bibechana-74596	93	27	gdp	gdp	NOUN
bibechana-74596	93	28	and	and	CCONJ
bibechana-74596	93	29	they	they	PRON
bibechana-74596	93	30	are	be	AUX
bibechana-74596	93	31	in	in	ADP
bibechana-74596	93	32	mixed	mixed	ADJ
bibechana-74596	93	33	mode	mode	NOUN
bibechana-74596	93	34	.	.	PUNCT
bibechana-74596	94	1	in	in	ADP
bibechana-74596	94	2	this	this	DET
bibechana-74596	94	3	study	study	NOUN
bibechana-74596	94	4	,	,	PUNCT
bibechana-74596	94	5	we	we	PRON
bibechana-74596	94	6	only	only	ADV
bibechana-74596	94	7	discussed	discuss	VERB
bibechana-74596	94	8	the	the	DET
bibechana-74596	94	9	modes	mode	NOUN
bibechana-74596	94	10	of	of	ADP
bibechana-74596	94	11	vibrations	vibration	NOUN
bibechana-74596	94	12	related	relate	VERB
bibechana-74596	94	13	to	to	ADP
bibechana-74596	94	14	the	the	DET
bibechana-74596	94	15	signature	signature	NOUN
bibechana-74596	94	16	of	of	ADP
bibechana-74596	94	17	functional	functional	ADJ
bibechana-74596	94	18	groups	group	NOUN
bibechana-74596	94	19	that	that	PRON
bibechana-74596	94	20	are	be	AUX
bibechana-74596	94	21	seen	see	VERB
bibechana-74596	94	22	in	in	ADP
bibechana-74596	94	23	higher	high	ADJ
bibechana-74596	94	24	wavenumbers	wavenumber	NOUN
bibechana-74596	94	25	and	and	CCONJ
bibechana-74596	94	26	are	be	AUX
bibechana-74596	94	27	important	important	ADJ
bibechana-74596	94	28	in	in	ADP
bibechana-74596	94	29	biological	biological	ADJ
bibechana-74596	94	30	action	action	NOUN
bibechana-74596	94	31	.	.	PUNCT
bibechana-74596	95	1	the	the	DET
bibechana-74596	95	2	vibration	vibration	NOUN
bibechana-74596	95	3	modes	mode	NOUN
bibechana-74596	95	4	of	of	ADP
bibechana-74596	95	5	active	active	ADJ
bibechana-74596	95	6	parts	part	NOUN
bibechana-74596	95	7	belong	belong	VERB
bibechana-74596	95	8	to	to	ADP
bibechana-74596	95	9	a	a	DET
bibechana-74596	95	10	functional	functional	ADJ
bibechana-74596	95	11	group	group	NOUN
bibechana-74596	95	12	and	and	CCONJ
bibechana-74596	95	13	are	be	AUX
bibechana-74596	95	14	assigned	assign	VERB
bibechana-74596	95	15	to	to	ADP
bibechana-74596	95	16	higher	high	ADJ
bibechana-74596	95	17	wavenumber	wavenumber	NOUN
bibechana-74596	95	18	regions	region	NOUN
bibechana-74596	95	19	along	along	ADP
bibechana-74596	95	20	with	with	ADP
bibechana-74596	95	21	unscaled	unscaled	ADJ
bibechana-74596	95	22	and	and	CCONJ
bibechana-74596	95	23	scaled	scale	VERB
bibechana-74596	95	24	wavenumbers	wavenumber	NOUN
bibechana-74596	95	25	,	,	PUNCT
bibechana-74596	95	26	which	which	PRON
bibechana-74596	95	27	are	be	AUX
bibechana-74596	95	28	presented	present	VERB
bibechana-74596	95	29	in	in	ADP
bibechana-74596	95	30	table	table	NOUN
bibechana-74596	95	31	3	3	NUM
bibechana-74596	95	32	.	.	PUNCT
bibechana-74596	96	1	the	the	DET
bibechana-74596	96	2	vibrational	vibrational	ADJ
bibechana-74596	96	3	modes	mode	NOUN
bibechana-74596	96	4	associated	associate	VERB
bibechana-74596	96	5	with	with	ADP
bibechana-74596	96	6	the	the	DET
bibechana-74596	96	7	active	active	ADJ
bibechana-74596	96	8	groups	group	NOUN
bibechana-74596	96	9	of	of	ADP
bibechana-74596	96	10	gdp	gdp	NOUN
bibechana-74596	96	11	are	be	AUX
bibechana-74596	96	12	discussed	discuss	VERB
bibechana-74596	96	13	in	in	ADP
bibechana-74596	96	14	detail	detail	NOUN
bibechana-74596	96	15	in	in	ADP
bibechana-74596	96	16	the	the	DET
bibechana-74596	96	17	following	follow	VERB
bibechana-74596	96	18	sections	section	NOUN
bibechana-74596	96	19	.	.	PUNCT
bibechana-74596	97	1	3.3.1	3.3.1	NUM
bibechana-74596	97	2	c	c	X
bibechana-74596	97	3	=	=	X
bibechana-74596	97	4	o	o	NOUN
bibechana-74596	97	5	and	and	CCONJ
bibechana-74596	97	6	p	p	X
bibechana-74596	97	7	=	=	NOUN
bibechana-74596	97	8	o	o	NOUN
bibechana-74596	97	9	vibrations	vibration	NOUN
bibechana-74596	97	10	the	the	DET
bibechana-74596	97	11	experimental	experimental	ADJ
bibechana-74596	97	12	value	value	NOUN
bibechana-74596	97	13	of	of	ADP
bibechana-74596	97	14	n	n	CCONJ
bibechana-74596	97	15	–	–	PUNCT
bibechana-74596	97	16	h	h	NOUN
bibechana-74596	97	17	stretching	stretch	VERB
bibechana-74596	97	18	vibrations	vibration	NOUN
bibechana-74596	97	19	is	be	AUX
bibechana-74596	97	20	found	find	VERB
bibechana-74596	97	21	in	in	ADP
bibechana-74596	97	22	the	the	DET
bibechana-74596	97	23	order	order	NOUN
bibechana-74596	97	24	of	of	ADP
bibechana-74596	97	25	(	(	PUNCT
bibechana-74596	97	26	3500	3500	NUM
bibechana-74596	97	27	-	-	SYM
bibechana-74596	97	28	3300	3300	NUM
bibechana-74596	97	29	)	)	PUNCT
bibechana-74596	97	30	cm-1	cm-1	VERB
bibechana-74596	98	1	[	[	X
bibechana-74596	98	2	30	30	NUM
bibechana-74596	98	3	]	]	PUNCT
bibechana-74596	98	4	.	.	PUNCT
bibechana-74596	99	1	in	in	ADP
bibechana-74596	99	2	the	the	DET
bibechana-74596	99	3	gdp	gdp	NOUN
bibechana-74596	99	4	compound	compound	NOUN
bibechana-74596	99	5	,	,	PUNCT
bibechana-74596	99	6	asymmetric	asymmetric	PROPN
bibechana-74596	99	7	n26h2	n26h2	PROPN
bibechana-74596	99	8	stretching	stretching	NOUN
bibechana-74596	99	9	is	be	AUX
bibechana-74596	99	10	calculated	calculate	VERB
bibechana-74596	99	11	at	at	ADP
bibechana-74596	99	12	3493	3493	NUM
bibechana-74596	99	13	cm1	cm1	NOUN
bibechana-74596	99	14	,	,	PUNCT
bibechana-74596	99	15	but	but	CCONJ
bibechana-74596	99	16	its	its	PRON
bibechana-74596	99	17	symmetric	symmetric	ADJ
bibechana-74596	99	18	stretching	stretching	NOUN
bibechana-74596	99	19	is	be	AUX
bibechana-74596	99	20	calculated	calculate	VERB
bibechana-74596	99	21	at	at	ADP
bibechana-74596	99	22	3396	3396	NUM
bibechana-74596	99	23	cm1	cm1	NOUN
bibechana-74596	99	24	.	.	PUNCT
bibechana-74596	100	1	the	the	DET
bibechana-74596	100	2	stretching	stretching	NOUN
bibechana-74596	100	3	of	of	ADP
bibechana-74596	100	4	n23h	n23h	NOUN
bibechana-74596	100	5	vibration	vibration	NOUN
bibechana-74596	100	6	is	be	AUX
bibechana-74596	100	7	computed	compute	VERB
bibechana-74596	100	8	at	at	ADP
bibechana-74596	100	9	3412	3412	NUM
bibechana-74596	100	10	cm¹	cm¹	NOUN
bibechana-74596	100	11	with	with	ADP
bibechana-74596	100	12	a	a	DET
bibechana-74596	100	13	significant	significant	ADJ
bibechana-74596	100	14	peak	peak	NOUN
bibechana-74596	100	15	in	in	ADP
bibechana-74596	100	16	the	the	DET
bibechana-74596	100	17	ft	ft	PROPN
bibechana-74596	100	18	-	-	PUNCT
bibechana-74596	100	19	ir	ir	PROPN
bibechana-74596	100	20	spectra	spectra	PROPN
bibechana-74596	100	21	.	.	PUNCT
bibechana-74596	101	1	the	the	DET
bibechana-74596	101	2	in	in	ADP
bibechana-74596	101	3	-	-	PUNCT
bibechana-74596	101	4	plane	plane	NOUN
bibechana-74596	101	5	bending	bending	NOUN
bibechana-74596	101	6	of	of	ADP
bibechana-74596	101	7	the	the	DET
bibechana-74596	101	8	amine	amine	ADJ
bibechana-74596	101	9	group	group	NOUN
bibechana-74596	101	10	n26h2	n26h2	PROPN
bibechana-74596	101	11	is	be	AUX
bibechana-74596	101	12	calculated	calculate	VERB
bibechana-74596	101	13	at	at	ADP
bibechana-74596	101	14	1630	1630	NUM
bibechana-74596	101	15	cm-1and	cm-1and	PROPN
bibechana-74596	101	16	1585	1585	NUM
bibechana-74596	101	17	cm-1with	cm-1with	PROPN
bibechana-74596	101	18	significant	significant	ADJ
bibechana-74596	101	19	ir	ir	NOUN
bibechana-74596	101	20	absorbance	absorbance	NOUN
bibechana-74596	101	21	.	.	PUNCT
bibechana-74596	102	1	in	in	ADP
bibechana-74596	102	2	the	the	DET
bibechana-74596	102	3	title	title	NOUN
bibechana-74596	102	4	compound	compound	NOUN
bibechana-74596	102	5	,	,	PUNCT
bibechana-74596	102	6	the	the	DET
bibechana-74596	102	7	signatures	signature	NOUN
bibechana-74596	102	8	of	of	ADP
bibechana-74596	102	9	cn	cn	PROPN
bibechana-74596	102	10	vibration	vibration	NOUN
bibechana-74596	102	11	in	in	ADP
bibechana-74596	102	12	rings	ring	NOUN
bibechana-74596	102	13	r1	r1	PROPN
bibechana-74596	102	14	and	and	CCONJ
bibechana-74596	102	15	r2	r2	PROPN
bibechana-74596	102	16	are	be	AUX
bibechana-74596	102	17	examined	examine	VERB
bibechana-74596	102	18	at	at	ADP
bibechana-74596	102	19	1556	1556	NUM
bibechana-74596	102	20	,	,	PUNCT
bibechana-74596	102	21	1528	1528	NUM
bibechana-74596	102	22	,	,	PUNCT
bibechana-74596	102	23	and	and	CCONJ
bibechana-74596	102	24	1487	1487	NUM
bibechana-74596	102	25	cm-1with	cm-1with	PROPN
bibechana-74596	102	26	sharp	sharp	ADJ
bibechana-74596	102	27	peaks	peak	NOUN
bibechana-74596	102	28	.	.	PUNCT
bibechana-74596	103	1	experimental	experimental	ADJ
bibechana-74596	103	2	oh	oh	INTJ
bibechana-74596	103	3	stretching	stretching	NOUN
bibechana-74596	103	4	is	be	AUX
bibechana-74596	103	5	generally	generally	ADV
bibechana-74596	103	6	found	find	VERB
bibechana-74596	103	7	in	in	ADP
bibechana-74596	103	8	the	the	DET
bibechana-74596	103	9	range	range	NOUN
bibechana-74596	103	10	(	(	PUNCT
bibechana-74596	103	11	35003200	35003200	NUM
bibechana-74596	103	12	)	)	PUNCT
bibechana-74596	103	13	cm–1	cm–1	X
bibechana-74596	104	1	[	[	X
bibechana-74596	104	2	31	31	NUM
bibechana-74596	104	3	]	]	PUNCT
bibechana-74596	104	4	.	.	PUNCT
bibechana-74596	105	1	in	in	ADP
bibechana-74596	105	2	the	the	DET
bibechana-74596	105	3	title	title	NOUN
bibechana-74596	105	4	compound	compound	NOUN
bibechana-74596	105	5	,	,	PUNCT
bibechana-74596	105	6	the	the	DET
bibechana-74596	105	7	oh	oh	NOUN
bibechana-74596	105	8	stretching	stretching	NOUN
bibechana-74596	105	9	is	be	AUX
bibechana-74596	105	10	calculated	calculate	VERB
bibechana-74596	105	11	from	from	ADP
bibechana-74596	105	12	dft	dft	PROPN
bibechana-74596	105	13	at	at	ADP
bibechana-74596	105	14	3633	3633	NUM
bibechana-74596	105	15	,	,	PUNCT
bibechana-74596	105	16	3621	3621	NUM
bibechana-74596	105	17	,	,	PUNCT
bibechana-74596	105	18	3619	3619	NUM
bibechana-74596	105	19	,	,	PUNCT
bibechana-74596	105	20	3517	3517	NUM
bibechana-74596	105	21	,	,	PUNCT
bibechana-74596	105	22	and	and	CCONJ
bibechana-74596	105	23	3236	3236	NUM
bibechana-74596	105	24	cm¹	cm¹	NOUN
bibechana-74596	105	25	,	,	PUNCT
bibechana-74596	105	26	corresponding	correspond	VERB
bibechana-74596	105	27	to	to	ADP
bibechana-74596	105	28	o35h	o35h	PROPN
bibechana-74596	105	29	,	,	PUNCT
bibechana-74596	105	30	o8h	o8h	PROPN
bibechana-74596	105	31	,	,	PUNCT
bibechana-74596	105	32	o3h	o3h	NOUN
bibechana-74596	105	33	,	,	PUNCT
bibechana-74596	105	34	o33h	o33h	NOUN
bibechana-74596	105	35	,	,	PUNCT
bibechana-74596	105	36	and	and	CCONJ
bibechana-74596	105	37	o10h	o10h	NUM
bibechana-74596	105	38	,	,	PUNCT
bibechana-74596	105	39	respectively	respectively	ADV
bibechana-74596	105	40	.	.	PUNCT
bibechana-74596	106	1	the	the	DET
bibechana-74596	106	2	amine	amine	ADJ
bibechana-74596	106	3	group	group	NOUN
bibechana-74596	106	4	and	and	CCONJ
bibechana-74596	106	5	hydroxyl	hydroxyl	NOUN
bibechana-74596	106	6	group	group	NOUN
bibechana-74596	106	7	has	have	VERB
bibechana-74596	106	8	significant	significant	ADJ
bibechana-74596	106	9	peaks	peak	NOUN
bibechana-74596	106	10	in	in	ADP
bibechana-74596	106	11	ir	ir	PROPN
bibechana-74596	106	12	and	and	CCONJ
bibechana-74596	106	13	raman	raman	NOUN
bibechana-74596	106	14	spectroscopy	spectroscopy	NOUN
bibechana-74596	106	15	and	and	CCONJ
bibechana-74596	106	16	these	these	DET
bibechana-74596	106	17	functional	functional	ADJ
bibechana-74596	106	18	groups	group	NOUN
bibechana-74596	106	19	interact	interact	VERB
bibechana-74596	106	20	with	with	ADP
bibechana-74596	106	21	residue	residue	NOUN
bibechana-74596	106	22	of	of	ADP
bibechana-74596	106	23	amino	amino	NOUN
bibechana-74596	106	24	acid	acid	NOUN
bibechana-74596	106	25	which	which	PRON
bibechana-74596	106	26	is	be	AUX
bibechana-74596	106	27	justified	justify	VERB
bibechana-74596	106	28	in	in	ADP
bibechana-74596	106	29	the	the	DET
bibechana-74596	106	30	molecular	molecular	ADJ
bibechana-74596	106	31	docking	docking	NOUN
bibechana-74596	106	32	section	section	NOUN
bibechana-74596	106	33	.	.	PUNCT
bibechana-74596	107	1	manoj	manoj	PROPN
bibechana-74596	107	2	kumar	kumar	PROPN
bibechana-74596	107	3	chaudhary	chaudhary	PROPN
bibechana-74596	107	4	et	et	PROPN
bibechana-74596	107	5	al./	al./	ADV
bibechana-74596	107	6	bibechana	bibechana	PROPN
bibechana-74596	107	7	22	22	NUM
bibechana-74596	107	8	(	(	PUNCT
bibechana-74596	107	9	2025	2025	NUM
bibechana-74596	107	10	)	)	PUNCT
bibechana-74596	107	11	205	205	NUM
bibechana-74596	107	12	-	-	SYM
bibechana-74596	107	13	214	214	NUM
bibechana-74596	107	14	209	209	NUM
bibechana-74596	107	15	table	table	NOUN
bibechana-74596	107	16	3	3	NUM
bibechana-74596	107	17	:	:	PUNCT
bibechana-74596	107	18	the	the	DET
bibechana-74596	107	19	scaled	scale	VERB
bibechana-74596	107	20	and	and	CCONJ
bibechana-74596	107	21	unscaled	unscaled	ADJ
bibechana-74596	107	22	wavenumber	wavenumber	NOUN
bibechana-74596	107	23	along	along	ADP
bibechana-74596	107	24	with	with	ADP
bibechana-74596	107	25	the	the	DET
bibechana-74596	107	26	mode	mode	NOUN
bibechana-74596	107	27	of	of	ADP
bibechana-74596	107	28	vibration	vibration	NOUN
bibechana-74596	107	29	of	of	ADP
bibechana-74596	107	30	different	different	ADJ
bibechana-74596	107	31	functional	functional	ADJ
bibechana-74596	107	32	groups	group	NOUN
bibechana-74596	107	33	in	in	ADP
bibechana-74596	107	34	gdp	gdp	PROPN
bibechana-74596	107	35	.	.	PROPN
bibechana-74596	107	36	unscaled	unscaled	PROPN
bibechana-74596	107	37	wavenumber	wavenumber	NOUN
bibechana-74596	107	38	(	(	PUNCT
bibechana-74596	107	39	cm−1	cm−1	NOUN
bibechana-74596	107	40	)	)	PUNCT
bibechana-74596	107	41	scaled	scale	VERB
bibechana-74596	107	42	wavenumber	wavenumber	NOUN
bibechana-74596	107	43	(	(	PUNCT
bibechana-74596	107	44	cm−1	cm−1	NOUN
bibechana-74596	107	45	)	)	PUNCT
bibechana-74596	107	46	types	type	NOUN
bibechana-74596	107	47	of	of	ADP
bibechana-74596	107	48	vibration	vibration	NOUN
bibechana-74596	107	49	3841	3841	NUM
bibechana-74596	107	50	3631	3631	NUM
bibechana-74596	107	51	ν(oh	ν(oh	NOUN
bibechana-74596	107	52	)	)	PUNCT
bibechana-74596	107	53	stretching	stretch	VERB
bibechana-74596	107	54	vibration	vibration	NOUN
bibechana-74596	107	55	of	of	ADP
bibechana-74596	107	56	o35h	o35h	PROPN
bibechana-74596	107	57	3827	3827	NUM
bibechana-74596	107	58	3621	3621	NUM
bibechana-74596	107	59	ν(oh	ν(oh	NOUN
bibechana-74596	107	60	)	)	PUNCT
bibechana-74596	107	61	stretching	stretch	VERB
bibechana-74596	107	62	vibration	vibration	NOUN
bibechana-74596	107	63	of	of	ADP
bibechana-74596	107	64	o8h	o8h	NOUN
bibechana-74596	107	65	3824	3824	NUM
bibechana-74596	107	66	3619	3619	NUM
bibechana-74596	107	67	ν(oh	ν(oh	NOUN
bibechana-74596	107	68	)	)	PUNCT
bibechana-74596	107	69	stretching	stretch	VERB
bibechana-74596	107	70	vibration	vibration	NOUN
bibechana-74596	107	71	of	of	ADP
bibechana-74596	107	72	o3h	o3h	SYM
bibechana-74596	107	73	3709	3709	NUM
bibechana-74596	107	74	3517	3517	NUM
bibechana-74596	107	75	ν(oh	ν(oh	NOUN
bibechana-74596	107	76	)	)	PUNCT
bibechana-74596	107	77	stretching	stretch	VERB
bibechana-74596	107	78	vibration	vibration	NOUN
bibechana-74596	107	79	of	of	ADP
bibechana-74596	107	80	o33h	o33h	NUM
bibechana-74596	107	81	3681	3681	NUM
bibechana-74596	107	82	3493	3493	NUM
bibechana-74596	107	83	νa(nh2	νa(nh2	NUM
bibechana-74596	107	84	)	)	PUNCT
bibechana-74596	107	85	asymmetric	asymmetric	ADJ
bibechana-74596	107	86	stretching	stretching	NOUN
bibechana-74596	107	87	of	of	ADP
bibechana-74596	107	88	n26h2	n26h2	PROPN
bibechana-74596	107	89	3591	3591	NUM
bibechana-74596	107	90	3412	3412	NUM
bibechana-74596	107	91	ν(nh	ν(nh	NOUN
bibechana-74596	107	92	)	)	PUNCT
bibechana-74596	107	93	stretching	stretch	VERB
bibechana-74596	107	94	vibration	vibration	NOUN
bibechana-74596	107	95	of	of	ADP
bibechana-74596	107	96	n23h	n23h	PRON
bibechana-74596	107	97	3574	3574	NUM
bibechana-74596	107	98	3397	3397	NUM
bibechana-74596	107	99	νs(nh2	νs(nh2	NUM
bibechana-74596	107	100	)	)	PUNCT
bibechana-74596	107	101	symmetric	symmetric	ADJ
bibechana-74596	107	102	stretching	stretching	NOUN
bibechana-74596	107	103	of	of	ADP
bibechana-74596	107	104	n26h2	n26h2	PROPN
bibechana-74596	107	105	3394	3394	NUM
bibechana-74596	107	106	3236	3236	NUM
bibechana-74596	107	107	ν(oh	ν(oh	NOUN
bibechana-74596	107	108	)	)	PUNCT
bibechana-74596	107	109	stretching	stretch	VERB
bibechana-74596	107	110	vibration	vibration	NOUN
bibechana-74596	107	111	of	of	ADP
bibechana-74596	107	112	o10h	o10h	NUM
bibechana-74596	107	113	3263	3263	NUM
bibechana-74596	107	114	3118	3118	NUM
bibechana-74596	107	115	r2[ν(ch	r2[ν(ch	NOUN
bibechana-74596	107	116	)	)	PUNCT
bibechana-74596	107	117	]	]	PUNCT
bibechana-74596	107	118	stretching	stretch	VERB
bibechana-74596	107	119	vibration	vibration	NOUN
bibechana-74596	107	120	of	of	ADP
bibechana-74596	107	121	c19h	c19h	PROPN
bibechana-74596	107	122	3165	3165	NUM
bibechana-74596	107	123	3029	3029	NUM
bibechana-74596	107	124	νa(ch2	νa(ch2	NOUN
bibechana-74596	107	125	)	)	PUNCT
bibechana-74596	107	126	asymmetric	asymmetric	ADJ
bibechana-74596	107	127	stretching	stretching	NOUN
bibechana-74596	107	128	of	of	ADP
bibechana-74596	107	129	c13h2	c13h2	PROPN
bibechana-74596	107	130	3110	3110	NUM
bibechana-74596	107	131	2979	2979	NUM
bibechana-74596	107	132	r3[ν(ch	r3[ν(ch	PROPN
bibechana-74596	107	133	)	)	PUNCT
bibechana-74596	107	134	]	]	PUNCT
bibechana-74596	107	135	stretching	stretch	VERB
bibechana-74596	107	136	vibration	vibration	NOUN
bibechana-74596	107	137	of	of	ADP
bibechana-74596	107	138	c17h	c17h	PROPN
bibechana-74596	107	139	3104	3104	NUM
bibechana-74596	107	140	2974	2974	NUM
bibechana-74596	107	141	r3[ν(ch	r3[ν(ch	NOUN
bibechana-74596	107	142	)	)	PUNCT
bibechana-74596	107	143	]	]	PUNCT
bibechana-74596	107	144	stretching	stretch	VERB
bibechana-74596	107	145	vibration	vibration	NOUN
bibechana-74596	107	146	of	of	ADP
bibechana-74596	107	147	c15h	c15h	PROPN
bibechana-74596	107	148	3098	3098	NUM
bibechana-74596	107	149	2969	2969	NUM
bibechana-74596	107	150	νs(ch2	νs(ch2	NOUN
bibechana-74596	107	151	)	)	PUNCT
bibechana-74596	107	152	symmetric	symmetric	ADJ
bibechana-74596	107	153	stretching	stretching	NOUN
bibechana-74596	107	154	of	of	ADP
bibechana-74596	107	155	c13h2	c13h2	PROPN
bibechana-74596	107	156	3059	3059	NUM
bibechana-74596	107	157	2933	2933	NUM
bibechana-74596	107	158	r3[ν(ch	r3[ν(ch	NOUN
bibechana-74596	107	159	)	)	PUNCT
bibechana-74596	107	160	]	]	PUNCT
bibechana-74596	107	161	stretching	stretch	VERB
bibechana-74596	107	162	vibration	vibration	NOUN
bibechana-74596	107	163	of	of	ADP
bibechana-74596	107	164	c16h	c16h	NOUN
bibechana-74596	107	165	2994	2994	NUM
bibechana-74596	107	166	2874	2874	NUM
bibechana-74596	107	167	r3[ν(ch	r3[ν(ch	NOUN
bibechana-74596	107	168	)	)	PUNCT
bibechana-74596	107	169	]	]	PUNCT
bibechana-74596	107	170	stretching	stretch	VERB
bibechana-74596	107	171	vibration	vibration	NOUN
bibechana-74596	107	172	of	of	ADP
bibechana-74596	107	173	c14h	c14h	ADJ
bibechana-74596	107	174	1787	1787	NUM
bibechana-74596	107	175	1750	1750	NUM
bibechana-74596	107	176	r3[ν(c	r3[ν(c	NOUN
bibechana-74596	107	177	=	=	SYM
bibechana-74596	107	178	o	o	NOUN
bibechana-74596	107	179	)	)	PUNCT
bibechana-74596	107	180	]	]	PUNCT
bibechana-74596	107	181	stretching	stretch	VERB
bibechana-74596	107	182	vibration	vibration	NOUN
bibechana-74596	107	183	of	of	ADP
bibechana-74596	107	184	c22	c22	NOUN
bibechana-74596	107	185	=	=	PROPN
bibechana-74596	107	186	o	o	PROPN
bibechana-74596	107	187	1661	1661	NUM
bibechana-74596	107	188	1630	1630	NUM
bibechana-74596	107	189	δin(nh2	δin(nh2	PROPN
bibechana-74596	107	190	)	)	PUNCT
bibechana-74596	107	191	in	in	ADP
bibechana-74596	107	192	-	-	PUNCT
bibechana-74596	107	193	plane	plane	NOUN
bibechana-74596	107	194	bending	bending	NOUN
bibechana-74596	107	195	of	of	ADP
bibechana-74596	107	196	n26h2	n26h2	PROPN
bibechana-74596	107	197	1614	1614	NUM
bibechana-74596	107	198	1585	1585	NUM
bibechana-74596	107	199	δin(nh2	δin(nh2	PROPN
bibechana-74596	107	200	)	)	PUNCT
bibechana-74596	107	201	in	in	ADP
bibechana-74596	107	202	-	-	PUNCT
bibechana-74596	107	203	plane	plane	NOUN
bibechana-74596	107	204	bending	bending	NOUN
bibechana-74596	107	205	of	of	ADP
bibechana-74596	107	206	n26h2	n26h2	PROPN
bibechana-74596	107	207	1583	1583	NUM
bibechana-74596	107	208	1556	1556	NUM
bibechana-74596	107	209	ν(cn	ν(cn	ADJ
bibechana-74596	107	210	)	)	PUNCT
bibechana-74596	107	211	vibration	vibration	NOUN
bibechana-74596	107	212	of	of	ADP
bibechana-74596	107	213	cn	cn	PROPN
bibechana-74596	107	214	in	in	ADP
bibechana-74596	107	215	ring	ring	NOUN
bibechana-74596	107	216	(	(	PUNCT
bibechana-74596	107	217	r1	r1	NOUN
bibechana-74596	107	218	and	and	CCONJ
bibechana-74596	107	219	r2	r2	PROPN
bibechana-74596	107	220	)	)	PUNCT
bibechana-74596	107	221	1554	1554	NUM
bibechana-74596	107	222	1528	1528	NUM
bibechana-74596	107	223	ν(cn	ν(cn	ADJ
bibechana-74596	107	224	)	)	PUNCT
bibechana-74596	107	225	vibration	vibration	NOUN
bibechana-74596	107	226	of	of	ADP
bibechana-74596	107	227	cn	cn	PROPN
bibechana-74596	107	228	in	in	ADP
bibechana-74596	107	229	ring	ring	NOUN
bibechana-74596	107	230	(	(	PUNCT
bibechana-74596	107	231	r1	r1	NOUN
bibechana-74596	107	232	and	and	CCONJ
bibechana-74596	107	233	r2	r2	PROPN
bibechana-74596	107	234	)	)	PUNCT
bibechana-74596	107	235	1511	1511	NUM
bibechana-74596	107	236	1487	1487	NUM
bibechana-74596	107	237	ν(cn	ν(cn	ADJ
bibechana-74596	107	238	)	)	PUNCT
bibechana-74596	107	239	vibration	vibration	NOUN
bibechana-74596	107	240	of	of	ADP
bibechana-74596	107	241	cn	cn	PROPN
bibechana-74596	107	242	in	in	ADP
bibechana-74596	107	243	ring	ring	NOUN
bibechana-74596	107	244	(	(	PUNCT
bibechana-74596	107	245	r1	r1	NOUN
bibechana-74596	107	246	and	and	CCONJ
bibechana-74596	107	247	r2	r2	PROPN
bibechana-74596	107	248	)	)	PUNCT
bibechana-74596	107	249	1505	1505	NUM
bibechana-74596	107	250	1481	1481	NUM
bibechana-74596	107	251	δin(ch2	δin(ch2	PROPN
bibechana-74596	107	252	)	)	PUNCT
bibechana-74596	107	253	in	in	ADP
bibechana-74596	107	254	-	-	PUNCT
bibechana-74596	107	255	plane	plane	NOUN
bibechana-74596	107	256	bending	bending	NOUN
bibechana-74596	107	257	of	of	ADP
bibechana-74596	107	258	c13h2	c13h2	PROPN
bibechana-74596	107	259	1452	1452	NUM
bibechana-74596	107	260	1431	1431	NUM
bibechana-74596	107	261	r3[δin(ch	r3[δin(ch	NOUN
bibechana-74596	107	262	)	)	PUNCT
bibechana-74596	107	263	]	]	PUNCT
bibechana-74596	107	264	in	in	ADP
bibechana-74596	107	265	-	-	PUNCT
bibechana-74596	107	266	plane	plane	NOUN
bibechana-74596	107	267	bending	bending	NOUN
bibechana-74596	107	268	of	of	ADP
bibechana-74596	107	269	c17h	c17h	PROPN
bibechana-74596	107	270	1439	1439	NUM
bibechana-74596	107	271	1418	1418	NUM
bibechana-74596	107	272	r2[δring	r2[δre	VERB
bibechana-74596	107	273	]	]	PUNCT
bibechana-74596	107	274	ring	ring	NOUN
bibechana-74596	107	275	deformation	deformation	NOUN
bibechana-74596	107	276	of	of	ADP
bibechana-74596	107	277	r2	r2	PROPN
bibechana-74596	107	278	1437	1437	NUM
bibechana-74596	107	279	1416	1416	NUM
bibechana-74596	107	280	γ(ch2	γ(ch2	NOUN
bibechana-74596	107	281	)	)	PUNCT
bibechana-74596	107	282	twisting	twisting	NOUN
bibechana-74596	107	283	of	of	ADP
bibechana-74596	107	284	c15h2	c15h2	PROPN
bibechana-74596	107	285	1415	1415	NUM
bibechana-74596	107	286	1395	1395	NUM
bibechana-74596	107	287	r3[δin(ch	r3[δin(ch	NOUN
bibechana-74596	107	288	)	)	PUNCT
bibechana-74596	107	289	]	]	PUNCT
bibechana-74596	107	290	in	in	ADP
bibechana-74596	107	291	-	-	PUNCT
bibechana-74596	107	292	plane	plane	NOUN
bibechana-74596	107	293	bending	bending	NOUN
bibechana-74596	107	294	of	of	ADP
bibechana-74596	107	295	ch	ch	NOUN
bibechana-74596	107	296	1407	1407	NUM
bibechana-74596	107	297	1387	1387	NUM
bibechana-74596	107	298	δin(oh	δin(oh	NOUN
bibechana-74596	107	299	)	)	PUNCT
bibechana-74596	107	300	in	in	ADP
bibechana-74596	107	301	-	-	PUNCT
bibechana-74596	107	302	plane	plane	NOUN
bibechana-74596	107	303	bending	bending	NOUN
bibechana-74596	107	304	of	of	ADP
bibechana-74596	107	305	o33h	o33h	NUM
bibechana-74596	107	306	1384	1384	NUM
bibechana-74596	107	307	1365	1365	NUM
bibechana-74596	107	308	ω(ch2	ω(ch2	NOUN
bibechana-74596	107	309	)	)	PUNCT
bibechana-74596	107	310	wagging	wagging	NOUN
bibechana-74596	107	311	of	of	ADP
bibechana-74596	107	312	c13h2	c13h2	PROPN
bibechana-74596	107	313	1291	1291	NUM
bibechana-74596	107	314	1275	1275	NUM
bibechana-74596	107	315	ν(p	ν(p	PROPN
bibechana-74596	107	316	=	=	SYM
bibechana-74596	107	317	o	o	NOUN
bibechana-74596	107	318	)	)	PUNCT
bibechana-74596	107	319	stretching	stretch	VERB
bibechana-74596	107	320	vibration	vibration	NOUN
bibechana-74596	107	321	of	of	ADP
bibechana-74596	107	322	p6o7	p6o7	X
bibechana-74596	107	323	1247	1247	NUM
bibechana-74596	107	324	1233	1233	NUM
bibechana-74596	107	325	ν(p	ν(p	PROPN
bibechana-74596	107	326	=	=	SYM
bibechana-74596	107	327	o	o	NOUN
bibechana-74596	107	328	)	)	PUNCT
bibechana-74596	107	329	stretching	stretch	VERB
bibechana-74596	107	330	vibration	vibration	NOUN
bibechana-74596	107	331	of	of	ADP
bibechana-74596	107	332	p1o2	p1o2	PROPN
bibechana-74596	107	333	1166	1166	NUM
bibechana-74596	107	334	1154	1154	NUM
bibechana-74596	107	335	δin(oh	δin(oh	NOUN
bibechana-74596	107	336	)	)	PUNCT
bibechana-74596	107	337	in	in	ADP
bibechana-74596	107	338	-	-	PUNCT
bibechana-74596	107	339	plane	plane	NOUN
bibechana-74596	107	340	bending	bending	NOUN
bibechana-74596	107	341	of	of	ADP
bibechana-74596	107	342	o10h	o10h	NUM
bibechana-74596	107	343	953	953	NUM
bibechana-74596	107	344	946	946	NUM
bibechana-74596	107	345	δin(oh	δin(oh	NOUN
bibechana-74596	107	346	)	)	PUNCT
bibechana-74596	107	347	in	in	ADP
bibechana-74596	107	348	-	-	PUNCT
bibechana-74596	107	349	plane	plane	NOUN
bibechana-74596	107	350	bending	bending	NOUN
bibechana-74596	107	351	of	of	ADP
bibechana-74596	107	352	o8h	o8h	NOUN
bibechana-74596	107	353	and	and	CCONJ
bibechana-74596	107	354	p6o10	p6o10	AUX
bibechana-74596	107	355	stretching	stretch	VERB
bibechana-74596	107	356	871	871	NUM
bibechana-74596	107	357	866	866	NUM
bibechana-74596	107	358	δin(p6	δin(p6	NOUN
bibechana-74596	107	359	-	-	PUNCT
bibechana-74596	107	360	o10	o10	NOUN
bibechana-74596	107	361	-	-	PUNCT
bibechana-74596	107	362	o8	o8	NOUN
bibechana-74596	107	363	)	)	PUNCT
bibechana-74596	107	364	in	in	ADP
bibechana-74596	107	365	-	-	PUNCT
bibechana-74596	107	366	plane	plane	NOUN
bibechana-74596	107	367	bending	bend	VERB
bibechana-74596	107	368	865	865	NUM
bibechana-74596	107	369	860	860	NUM
bibechana-74596	107	370	r2[δin(ch	r2[δin(ch	NOUN
bibechana-74596	107	371	)	)	PUNCT
bibechana-74596	107	372	]	]	PUNCT
bibechana-74596	107	373	in	in	ADP
bibechana-74596	107	374	-	-	PUNCT
bibechana-74596	107	375	plane	plane	NOUN
bibechana-74596	107	376	bending	bending	NOUN
bibechana-74596	107	377	of	of	ADP
bibechana-74596	107	378	c19h	c19h	PROPN
bibechana-74596	107	379	863	863	NUM
bibechana-74596	107	380	859	859	NUM
bibechana-74596	107	381	r2[δin(ch	r2[δin(ch	NOUN
bibechana-74596	107	382	)	)	PUNCT
bibechana-74596	107	383	]	]	PUNCT
bibechana-74596	107	384	in	in	ADP
bibechana-74596	107	385	-	-	PUNCT
bibechana-74596	107	386	plane	plane	NOUN
bibechana-74596	107	387	bending	bending	NOUN
bibechana-74596	107	388	of	of	ADP
bibechana-74596	107	389	c19h	c19h	PROPN
bibechana-74596	107	390	3.3.2	3.3.2	NUM
bibechana-74596	107	391	ch	ch	NOUN
bibechana-74596	107	392	vibration	vibration	NOUN
bibechana-74596	107	393	the	the	DET
bibechana-74596	107	394	experimental	experimental	ADJ
bibechana-74596	107	395	c	c	NOUN
bibechana-74596	107	396	-	-	PUNCT
bibechana-74596	107	397	h	h	NOUN
bibechana-74596	107	398	stretching	stretch	VERB
bibechana-74596	107	399	vibration	vibration	NOUN
bibechana-74596	107	400	is	be	AUX
bibechana-74596	107	401	obtained	obtain	VERB
bibechana-74596	107	402	in	in	ADP
bibechana-74596	107	403	the	the	DET
bibechana-74596	107	404	range	range	NOUN
bibechana-74596	107	405	(	(	PUNCT
bibechana-74596	107	406	3000	3000	NUM
bibechana-74596	107	407	-	-	SYM
bibechana-74596	107	408	3100	3100	NUM
bibechana-74596	107	409	)	)	PUNCT
bibechana-74596	107	410	cm–1	cm–1	PUNCT
bibechana-74596	108	1	[	[	X
bibechana-74596	108	2	31	31	NUM
bibechana-74596	108	3	]	]	PUNCT
bibechana-74596	108	4	.	.	PUNCT
bibechana-74596	109	1	in	in	ADP
bibechana-74596	109	2	the	the	DET
bibechana-74596	109	3	title	title	NOUN
bibechana-74596	109	4	compound	compound	NOUN
bibechana-74596	109	5	,	,	PUNCT
bibechana-74596	109	6	the	the	DET
bibechana-74596	109	7	stretching	stretching	NOUN
bibechana-74596	109	8	of	of	ADP
bibechana-74596	109	9	c19h	c19h	PROPN
bibechana-74596	109	10	,	,	PUNCT
bibechana-74596	109	11	c17h	c17h	ADV
bibechana-74596	109	12	,	,	PUNCT
bibechana-74596	109	13	c15h	c15h	PROPN
bibechana-74596	109	14	,	,	PUNCT
bibechana-74596	109	15	c16h	c16h	NOUN
bibechana-74596	109	16	,	,	PUNCT
bibechana-74596	109	17	and	and	CCONJ
bibechana-74596	109	18	c14h	c14h	VERB
bibechana-74596	109	19	in	in	ADP
bibechana-74596	109	20	the	the	DET
bibechana-74596	109	21	rings	ring	NOUN
bibechana-74596	109	22	r2	r2	PROPN
bibechana-74596	109	23	and	and	CCONJ
bibechana-74596	109	24	r3	r3	PROPN
bibechana-74596	109	25	are	be	AUX
bibechana-74596	109	26	calculated	calculate	VERB
bibechana-74596	109	27	at	at	ADP
bibechana-74596	109	28	3118	3118	NUM
bibechana-74596	109	29	,	,	PUNCT
bibechana-74596	109	30	2979	2979	NUM
bibechana-74596	109	31	,	,	PUNCT
bibechana-74596	109	32	2974	2974	NUM
bibechana-74596	109	33	,	,	PUNCT
bibechana-74596	109	34	2933	2933	NUM
bibechana-74596	109	35	,	,	PUNCT
bibechana-74596	109	36	and	and	CCONJ
bibechana-74596	109	37	2874	2874	NUM
bibechana-74596	109	38	cm1	cm1	NOUN
bibechana-74596	109	39	,	,	PUNCT
bibechana-74596	109	40	respectively	respectively	ADV
bibechana-74596	109	41	being	be	AUX
bibechana-74596	109	42	very	very	ADV
bibechana-74596	109	43	sharp	sharp	ADJ
bibechana-74596	109	44	peak	peak	NOUN
bibechana-74596	109	45	for	for	ADP
bibechana-74596	109	46	c14h	c14h	VERB
bibechana-74596	109	47	with	with	ADP
bibechana-74596	109	48	higher	high	ADJ
bibechana-74596	109	49	ir	ir	PROPN
bibechana-74596	109	50	absorbance	absorbance	NOUN
bibechana-74596	109	51	.	.	PUNCT
bibechana-74596	110	1	the	the	DET
bibechana-74596	110	2	in	in	ADP
bibechana-74596	110	3	-	-	PUNCT
bibechana-74596	110	4	plane	plane	NOUN
bibechana-74596	110	5	bending	bending	NOUN
bibechana-74596	110	6	of	of	ADP
bibechana-74596	110	7	ch	ch	NOUN
bibechana-74596	110	8	vibration	vibration	NOUN
bibechana-74596	110	9	is	be	AUX
bibechana-74596	110	10	computed	compute	VERB
bibechana-74596	110	11	at	at	ADP
bibechana-74596	110	12	1431	1431	NUM
bibechana-74596	110	13	and	and	CCONJ
bibechana-74596	110	14	1395	1395	NUM
bibechana-74596	110	15	cm–1	cm–1	X
bibechana-74596	110	16	in	in	ADP
bibechana-74596	110	17	the	the	DET
bibechana-74596	110	18	ring	ring	NOUN
bibechana-74596	110	19	r2	r2	PROPN
bibechana-74596	110	20	.	.	PUNCT
bibechana-74596	111	1	for	for	ADP
bibechana-74596	111	2	ring	ring	NOUN
bibechana-74596	111	3	r3	r3	PROPN
bibechana-74596	111	4	,	,	PUNCT
bibechana-74596	111	5	the	the	DET
bibechana-74596	111	6	in	in	ADP
bibechana-74596	111	7	-	-	PUNCT
bibechana-74596	111	8	plane	plane	NOUN
bibechana-74596	111	9	bending	bending	NOUN
bibechana-74596	111	10	of	of	ADP
bibechana-74596	111	11	ch	ch	NOUN
bibechana-74596	111	12	found	find	VERB
bibechana-74596	111	13	to	to	PART
bibechana-74596	111	14	be	be	AUX
bibechana-74596	111	15	at	at	ADP
bibechana-74596	111	16	860	860	NUM
bibechana-74596	111	17	and	and	CCONJ
bibechana-74596	111	18	859	859	NUM
bibechana-74596	111	19	cm–1	cm–1	NOUN
bibechana-74596	111	20	.	.	PUNCT
bibechana-74596	112	1	the	the	DET
bibechana-74596	112	2	asymmetric	asymmetric	ADJ
bibechana-74596	112	3	stretching	stretch	VERB
bibechana-74596	112	4	vibration	vibration	NOUN
bibechana-74596	112	5	of	of	ADP
bibechana-74596	112	6	c13h2	c13h2	PROPN
bibechana-74596	112	7	is	be	AUX
bibechana-74596	112	8	calculated	calculate	VERB
bibechana-74596	112	9	at	at	ADP
bibechana-74596	112	10	3029	3029	NUM
bibechana-74596	112	11	cm–1	cm–1	PUNCT
bibechana-74596	112	12	but	but	CCONJ
bibechana-74596	112	13	symmetric	symmetric	ADJ
bibechana-74596	112	14	stretching	stretching	NOUN
bibechana-74596	112	15	of	of	ADP
bibechana-74596	112	16	c13h2	c13h2	PROPN
bibechana-74596	112	17	is	be	AUX
bibechana-74596	112	18	calculated	calculate	VERB
bibechana-74596	112	19	at	at	ADP
bibechana-74596	112	20	2969	2969	NUM
bibechana-74596	112	21	cm–1	cm–1	PROPN
bibechana-74596	112	22	.	.	PROPN
bibechana-74596	112	23	3.4	3.4	NUM
bibechana-74596	112	24	electrostatic	electrostatic	ADJ
bibechana-74596	112	25	potential	potential	ADJ
bibechana-74596	112	26	surface	surface	NOUN
bibechana-74596	112	27	(	(	PUNCT
bibechana-74596	112	28	esp	esp	ADJ
bibechana-74596	112	29	)	)	PUNCT
bibechana-74596	112	30	analysis	analysis	NOUN
bibechana-74596	112	31	the	the	DET
bibechana-74596	112	32	visual	visual	ADJ
bibechana-74596	112	33	representation	representation	NOUN
bibechana-74596	112	34	of	of	ADP
bibechana-74596	112	35	the	the	DET
bibechana-74596	112	36	charge	charge	NOUN
bibechana-74596	112	37	distribution	distribution	NOUN
bibechana-74596	112	38	on	on	ADP
bibechana-74596	112	39	the	the	DET
bibechana-74596	112	40	molecular	molecular	ADJ
bibechana-74596	112	41	surface	surface	NOUN
bibechana-74596	112	42	can	can	AUX
bibechana-74596	112	43	be	be	AUX
bibechana-74596	112	44	performed	perform	VERB
bibechana-74596	112	45	by	by	ADP
bibechana-74596	112	46	the	the	DET
bibechana-74596	112	47	electrostatic	electrostatic	ADJ
bibechana-74596	112	48	potential	potential	ADJ
bibechana-74596	112	49	surface	surface	NOUN
bibechana-74596	112	50	analysis	analysis	NOUN
bibechana-74596	112	51	.	.	PUNCT
bibechana-74596	113	1	this	this	DET
bibechana-74596	113	2	tool	tool	NOUN
bibechana-74596	113	3	aids	aid	VERB
bibechana-74596	113	4	in	in	ADP
bibechana-74596	113	5	the	the	DET
bibechana-74596	113	6	prediction	prediction	NOUN
bibechana-74596	113	7	of	of	ADP
bibechana-74596	113	8	sites	site	NOUN
bibechana-74596	113	9	for	for	ADP
bibechana-74596	113	10	the	the	DET
bibechana-74596	113	11	intraand	intraand	NOUN
bibechana-74596	113	12	intermolecular	intermolecular	ADJ
bibechana-74596	113	13	interactions	interaction	NOUN
bibechana-74596	113	14	by	by	ADP
bibechana-74596	113	15	identifying	identify	VERB
bibechana-74596	113	16	the	the	DET
bibechana-74596	113	17	locations	location	NOUN
bibechana-74596	113	18	of	of	ADP
bibechana-74596	113	19	electrophiles	electrophile	NOUN
bibechana-74596	113	20	and	and	CCONJ
bibechana-74596	113	21	nucleophiles	nucleophile	NOUN
bibechana-74596	113	22	[	[	X
bibechana-74596	113	23	32	32	NUM
bibechana-74596	113	24	]	]	PUNCT
bibechana-74596	113	25	.	.	PUNCT
bibechana-74596	114	1	the	the	DET
bibechana-74596	114	2	region	region	NOUN
bibechana-74596	114	3	of	of	ADP
bibechana-74596	114	4	positive	positive	ADJ
bibechana-74596	114	5	potential	potential	NOUN
bibechana-74596	114	6	shown	show	VERB
bibechana-74596	114	7	by	by	ADP
bibechana-74596	114	8	the	the	DET
bibechana-74596	114	9	blue	blue	ADJ
bibechana-74596	114	10	colour	colour	NOUN
bibechana-74596	114	11	region	region	NOUN
bibechana-74596	114	12	corresponds	correspond	VERB
bibechana-74596	114	13	to	to	ADP
bibechana-74596	114	14	the	the	DET
bibechana-74596	114	15	position	position	NOUN
bibechana-74596	114	16	of	of	ADP
bibechana-74596	114	17	the	the	DET
bibechana-74596	114	18	electrophile	electrophile	NOUN
bibechana-74596	114	19	,	,	PUNCT
bibechana-74596	114	20	which	which	PRON
bibechana-74596	114	21	should	should	AUX
bibechana-74596	114	22	be	be	AUX
bibechana-74596	114	23	favourable	favourable	ADJ
bibechana-74596	114	24	for	for	ADP
bibechana-74596	114	25	nucleophilic	nucleophilic	ADJ
bibechana-74596	114	26	attack	attack	NOUN
bibechana-74596	114	27	,	,	PUNCT
bibechana-74596	114	28	and	and	CCONJ
bibechana-74596	114	29	the	the	DET
bibechana-74596	114	30	negative	negative	ADJ
bibechana-74596	114	31	potential	potential	ADJ
bibechana-74596	114	32	region	region	NOUN
bibechana-74596	114	33	represented	represent	VERB
bibechana-74596	114	34	by	by	ADP
bibechana-74596	114	35	the	the	DET
bibechana-74596	114	36	red	red	ADJ
bibechana-74596	114	37	colour	colour	NOUN
bibechana-74596	114	38	is	be	AUX
bibechana-74596	114	39	the	the	DET
bibechana-74596	114	40	site	site	NOUN
bibechana-74596	114	41	of	of	ADP
bibechana-74596	114	42	electrophilic	electrophilic	ADJ
bibechana-74596	114	43	attack	attack	NOUN
bibechana-74596	114	44	[	[	X
bibechana-74596	114	45	33	33	NUM
bibechana-74596	114	46	]	]	PUNCT
bibechana-74596	114	47	.	.	PUNCT
bibechana-74596	115	1	the	the	DET
bibechana-74596	115	2	molecular	molecular	ADJ
bibechana-74596	115	3	surface	surface	NOUN
bibechana-74596	115	4	of	of	ADP
bibechana-74596	115	5	the	the	DET
bibechana-74596	115	6	title	title	NOUN
bibechana-74596	115	7	compound	compound	NOUN
bibechana-74596	115	8	mapped	map	VERB
bibechana-74596	115	9	with	with	ADP
bibechana-74596	115	10	the	the	DET
bibechana-74596	115	11	electrostatic	electrostatic	ADJ
bibechana-74596	115	12	potential	potential	NOUN
bibechana-74596	115	13	on	on	ADP
bibechana-74596	115	14	its	its	PRON
bibechana-74596	115	15	van	van	PROPN
bibechana-74596	115	16	der	der	NOUN
bibechana-74596	115	17	waals	waal	NOUN
bibechana-74596	115	18	surface	surface	NOUN
bibechana-74596	115	19	is	be	AUX
bibechana-74596	115	20	shown	show	VERB
bibechana-74596	115	21	in	in	ADP
bibechana-74596	115	22	figure	figure	NOUN
bibechana-74596	115	23	6	6	NUM
bibechana-74596	115	24	.	.	PUNCT
bibechana-74596	116	1	the	the	DET
bibechana-74596	116	2	blue	blue	ADJ
bibechana-74596	116	3	and	and	CCONJ
bibechana-74596	116	4	orange	orange	NOUN
bibechana-74596	116	5	dots	dot	NOUN
bibechana-74596	116	6	of	of	ADP
bibechana-74596	116	7	the	the	DET
bibechana-74596	116	8	molecular	molecular	ADJ
bibechana-74596	116	9	electrostatic	electrostatic	ADJ
bibechana-74596	116	10	surface	surface	NOUN
bibechana-74596	116	11	represent	represent	VERB
bibechana-74596	116	12	the	the	DET
bibechana-74596	116	13	points	point	NOUN
bibechana-74596	116	14	of	of	ADP
bibechana-74596	116	15	minimum	minimum	ADJ
bibechana-74596	116	16	and	and	CCONJ
bibechana-74596	116	17	maximum	maximum	ADJ
bibechana-74596	116	18	potential	potential	NOUN
bibechana-74596	116	19	.	.	PUNCT
bibechana-74596	117	1	the	the	DET
bibechana-74596	117	2	global	global	ADJ
bibechana-74596	117	3	minimum	minimum	ADJ
bibechana-74596	117	4	potential	potential	NOUN
bibechana-74596	117	5	of	of	ADP
bibechana-74596	117	6	-95.53	-95.53	PROPN
bibechana-74596	117	7	kcal	kcal	NOUN
bibechana-74596	117	8	/	/	SYM
bibechana-74596	117	9	mol	mol	NOUN
bibechana-74596	117	10	attributed	attribute	VERB
bibechana-74596	117	11	to	to	ADP
bibechana-74596	117	12	the	the	DET
bibechana-74596	117	13	o31	o31	NOUN
bibechana-74596	117	14	atom	atom	NOUN
bibechana-74596	117	15	in	in	ADP
bibechana-74596	117	16	the	the	DET
bibechana-74596	117	17	c	c	PROPN
bibechana-74596	117	18	=	=	PROPN
bibechana-74596	117	19	o	o	PROPN
bibechana-74596	117	20	group	group	NOUN
bibechana-74596	117	21	of	of	ADP
bibechana-74596	117	22	ring	ring	NOUN
bibechana-74596	117	23	r1	r1	PROPN
bibechana-74596	117	24	of	of	ADP
bibechana-74596	117	25	gdp	gdp	NOUN
bibechana-74596	117	26	is	be	AUX
bibechana-74596	117	27	the	the	DET
bibechana-74596	117	28	nucleophile	nucleophile	NOUN
bibechana-74596	117	29	.	.	PUNCT
bibechana-74596	118	1	the	the	DET
bibechana-74596	118	2	maximum	maximum	ADJ
bibechana-74596	118	3	positive	positive	ADJ
bibechana-74596	118	4	potential	potential	ADJ
bibechana-74596	118	5	113.71	113.71	NUM
bibechana-74596	118	6	kcal	kcal	NOUN
bibechana-74596	118	7	/	/	SYM
bibechana-74596	118	8	mol	mol	NOUN
bibechana-74596	118	9	corresponds	correspond	NOUN
bibechana-74596	118	10	to	to	ADP
bibechana-74596	118	11	the	the	DET
bibechana-74596	118	12	h4	h4	PROPN
bibechana-74596	118	13	atom	atom	NOUN
bibechana-74596	118	14	attached	attach	VERB
bibechana-74596	118	15	to	to	ADP
bibechana-74596	118	16	the	the	DET
bibechana-74596	118	17	oh	oh	PROPN
bibechana-74596	118	18	group	group	NOUN
bibechana-74596	118	19	in	in	ADP
bibechana-74596	118	20	phosphate	phosphate	NOUN
bibechana-74596	118	21	,	,	PUNCT
bibechana-74596	118	22	making	make	VERB
bibechana-74596	118	23	it	it	PRON
bibechana-74596	118	24	the	the	DET
bibechana-74596	118	25	best	good	ADJ
bibechana-74596	118	26	site	site	NOUN
bibechana-74596	118	27	for	for	ADP
bibechana-74596	118	28	nucleophilic	nucleophilic	ADJ
bibechana-74596	118	29	attack	attack	NOUN
bibechana-74596	118	30	.	.	PUNCT
bibechana-74596	119	1	from	from	ADP
bibechana-74596	119	2	this	this	DET
bibechana-74596	119	3	result	result	NOUN
bibechana-74596	119	4	,	,	PUNCT
bibechana-74596	119	5	we	we	PRON
bibechana-74596	119	6	conclude	conclude	VERB
bibechana-74596	119	7	that	that	SCONJ
bibechana-74596	119	8	h4	h4	PROPN
bibechana-74596	119	9	and	and	CCONJ
bibechana-74596	119	10	o31	o31	NOUN
bibechana-74596	119	11	are	be	AUX
bibechana-74596	119	12	ideal	ideal	ADJ
bibechana-74596	119	13	sites	site	NOUN
bibechana-74596	119	14	for	for	ADP
bibechana-74596	119	15	intermolecular	intermolecular	ADJ
bibechana-74596	119	16	hydrogen	hydrogen	NOUN
bibechana-74596	119	17	bonding	bonding	NOUN
bibechana-74596	119	18	,	,	PUNCT
bibechana-74596	119	19	and	and	CCONJ
bibechana-74596	119	20	the	the	DET
bibechana-74596	119	21	crystal	crystal	NOUN
bibechana-74596	119	22	packing	packing	NOUN
bibechana-74596	119	23	of	of	ADP
bibechana-74596	119	24	the	the	DET
bibechana-74596	119	25	title	title	NOUN
bibechana-74596	119	26	compound	compound	NOUN
bibechana-74596	119	27	may	may	AUX
bibechana-74596	119	28	be	be	AUX
bibechana-74596	119	29	contributed	contribute	VERB
bibechana-74596	119	30	manoj	manoj	PROPN
bibechana-74596	119	31	kumar	kumar	PROPN
bibechana-74596	119	32	chaudhary	chaudhary	PROPN
bibechana-74596	119	33	et	et	PROPN
bibechana-74596	120	1	al./	al./	ADV
bibechana-74596	120	2	bibechana	bibechana	PROPN
bibechana-74596	120	3	22	22	NUM
bibechana-74596	120	4	(	(	PUNCT
bibechana-74596	120	5	2025	2025	NUM
bibechana-74596	120	6	)	)	PUNCT
bibechana-74596	120	7	205	205	NUM
bibechana-74596	120	8	-	-	SYM
bibechana-74596	120	9	214	214	NUM
bibechana-74596	120	10	210	210	NUM
bibechana-74596	120	11	by	by	ADP
bibechana-74596	120	12	the	the	DET
bibechana-74596	120	13	o3	o3	PROPN
bibechana-74596	120	14	-	-	PUNCT
bibechana-74596	120	15	h4	h4	PROPN
bibechana-74596	120	16	.	.	PUNCT
bibechana-74596	120	17	.	.	PUNCT
bibechana-74596	121	1	.	.	PUNCT
bibechana-74596	122	1	o31	o31	NOUN
bibechana-74596	122	2	hydrogen	hydrogen	NOUN
bibechana-74596	122	3	bonding	bonding	NOUN
bibechana-74596	122	4	.	.	PUNCT
bibechana-74596	123	1	figure	figure	NOUN
bibechana-74596	123	2	4	4	NUM
bibechana-74596	123	3	:	:	PUNCT
bibechana-74596	123	4	calculated	calculate	VERB
bibechana-74596	123	5	ft	ft	PROPN
bibechana-74596	123	6	-	-	PUNCT
bibechana-74596	123	7	ir	ir	NOUN
bibechana-74596	123	8	spectra	spectra	NOUN
bibechana-74596	123	9	of	of	ADP
bibechana-74596	123	10	guanosine-5	guanosine-5	PROPN
bibechana-74596	123	11	diphosphate	diphosphate	VERB
bibechana-74596	123	12	in	in	ADP
bibechana-74596	123	13	the	the	DET
bibechana-74596	123	14	range	range	NOUN
bibechana-74596	123	15	(	(	PUNCT
bibechana-74596	123	16	100	100	NUM
bibechana-74596	123	17	-	-	SYM
bibechana-74596	123	18	3800	3800	NUM
bibechana-74596	123	19	)	)	PUNCT
bibechana-74596	123	20	cm-1	cm-1	VERB
bibechana-74596	124	1	calculated	calculate	VERB
bibechana-74596	124	2	from	from	ADP
bibechana-74596	124	3	b3lyp/6	b3lyp/6	NOUN
bibechana-74596	124	4	-	-	NOUN
bibechana-74596	124	5	311++g(d	311++g(d	ADJ
bibechana-74596	124	6	,	,	PUNCT
bibechana-74596	124	7	p	p	NOUN
bibechana-74596	124	8	)	)	PUNCT
bibechana-74596	124	9	level	level	NOUN
bibechana-74596	124	10	of	of	ADP
bibechana-74596	124	11	theory	theory	NOUN
bibechana-74596	124	12	.	.	PUNCT
bibechana-74596	125	1	figure	figure	VERB
bibechana-74596	125	2	5	5	NUM
bibechana-74596	125	3	:	:	PUNCT
bibechana-74596	125	4	calculated	calculate	VERB
bibechana-74596	125	5	ft	ft	PROPN
bibechana-74596	125	6	-	-	PUNCT
bibechana-74596	125	7	raman	raman	NOUN
bibechana-74596	125	8	spectra	spectra	NOUN
bibechana-74596	125	9	of	of	ADP
bibechana-74596	125	10	guanosine-5	guanosine-5	PROPN
bibechana-74596	125	11	diphosphate	diphosphate	VERB
bibechana-74596	125	12	in	in	ADP
bibechana-74596	125	13	the	the	DET
bibechana-74596	125	14	range	range	NOUN
bibechana-74596	125	15	(	(	PUNCT
bibechana-74596	125	16	100	100	NUM
bibechana-74596	125	17	-	-	SYM
bibechana-74596	125	18	3800	3800	NUM
bibechana-74596	125	19	)	)	PUNCT
bibechana-74596	125	20	cm-1	cm-1	VERB
bibechana-74596	126	1	calculated	calculate	VERB
bibechana-74596	126	2	from	from	ADP
bibechana-74596	126	3	b3lyp/6	b3lyp/6	NOUN
bibechana-74596	126	4	-	-	NOUN
bibechana-74596	126	5	311++g(d	311++g(d	ADJ
bibechana-74596	126	6	,	,	PUNCT
bibechana-74596	126	7	p	p	NOUN
bibechana-74596	126	8	)	)	PUNCT
bibechana-74596	126	9	level	level	NOUN
bibechana-74596	126	10	of	of	ADP
bibechana-74596	126	11	theory	theory	NOUN
bibechana-74596	126	12	.	.	PUNCT
bibechana-74596	127	1	figure	figure	VERB
bibechana-74596	127	2	6	6	NUM
bibechana-74596	127	3	:	:	PUNCT
bibechana-74596	127	4	electrostatic	electrostatic	ADJ
bibechana-74596	127	5	potential	potential	NOUN
bibechana-74596	127	6	mapped	map	VERB
bibechana-74596	127	7	into	into	ADP
bibechana-74596	127	8	molecular	molecular	ADJ
bibechana-74596	127	9	vdw	vdw	NOUN
bibechana-74596	127	10	surface	surface	NOUN
bibechana-74596	127	11	of	of	ADP
bibechana-74596	127	12	guanosine-5	guanosine-5	PROPN
bibechana-74596	127	13	diphosphate	diphosphate	VERB
bibechana-74596	127	14	.	.	PUNCT
bibechana-74596	128	1	3.5	3.5	NUM
bibechana-74596	128	2	mulliken	mulliken	NOUN
bibechana-74596	128	3	charge	charge	NOUN
bibechana-74596	128	4	analysis	analysis	NOUN
bibechana-74596	128	5	the	the	DET
bibechana-74596	128	6	electronic	electronic	ADJ
bibechana-74596	128	7	property	property	NOUN
bibechana-74596	128	8	of	of	ADP
bibechana-74596	128	9	atom	atom	NOUN
bibechana-74596	128	10	in	in	ADP
bibechana-74596	128	11	molecular	molecular	ADJ
bibechana-74596	128	12	system	system	NOUN
bibechana-74596	128	13	has	have	AUX
bibechana-74596	128	14	been	be	AUX
bibechana-74596	128	15	identified	identify	VERB
bibechana-74596	128	16	from	from	ADP
bibechana-74596	128	17	mulliken	mulliken	NOUN
bibechana-74596	128	18	charge	charge	NOUN
bibechana-74596	128	19	analysis	analysis	NOUN
bibechana-74596	128	20	.	.	PUNCT
bibechana-74596	129	1	this	this	PRON
bibechana-74596	129	2	is	be	AUX
bibechana-74596	129	3	calculated	calculate	VERB
bibechana-74596	129	4	on	on	ADP
bibechana-74596	129	5	the	the	DET
bibechana-74596	129	6	basis	basis	NOUN
bibechana-74596	129	7	of	of	ADP
bibechana-74596	129	8	distribution	distribution	NOUN
bibechana-74596	129	9	of	of	ADP
bibechana-74596	129	10	electrons	electron	NOUN
bibechana-74596	129	11	in	in	ADP
bibechana-74596	129	12	the	the	DET
bibechana-74596	129	13	atoms	atom	NOUN
bibechana-74596	129	14	as	as	ADV
bibechana-74596	129	15	well	well	ADV
bibechana-74596	129	16	as	as	ADP
bibechana-74596	129	17	the	the	DET
bibechana-74596	129	18	formation	formation	NOUN
bibechana-74596	129	19	of	of	ADP
bibechana-74596	129	20	polarity	polarity	NOUN
bibechana-74596	129	21	in	in	ADP
bibechana-74596	129	22	the	the	DET
bibechana-74596	129	23	molecular	molecular	ADJ
bibechana-74596	129	24	system	system	NOUN
bibechana-74596	129	25	[	[	X
bibechana-74596	129	26	34	34	NUM
bibechana-74596	129	27	]	]	PUNCT
bibechana-74596	129	28	.	.	PUNCT
bibechana-74596	130	1	this	this	DET
bibechana-74596	130	2	analysis	analysis	NOUN
bibechana-74596	130	3	helps	help	VERB
bibechana-74596	130	4	to	to	PART
bibechana-74596	130	5	identify	identify	VERB
bibechana-74596	130	6	the	the	DET
bibechana-74596	130	7	electrophilic	electrophilic	ADJ
bibechana-74596	130	8	and	and	CCONJ
bibechana-74596	130	9	nucleophilic	nucleophilic	ADJ
bibechana-74596	130	10	atoms	atom	NOUN
bibechana-74596	130	11	in	in	ADP
bibechana-74596	130	12	the	the	DET
bibechana-74596	130	13	compound	compound	NOUN
bibechana-74596	130	14	that	that	PRON
bibechana-74596	130	15	can	can	AUX
bibechana-74596	130	16	take	take	VERB
bibechana-74596	130	17	part	part	NOUN
bibechana-74596	130	18	in	in	ADP
bibechana-74596	130	19	chemical	chemical	ADJ
bibechana-74596	130	20	reaction	reaction	NOUN
bibechana-74596	130	21	with	with	ADP
bibechana-74596	130	22	surrounding	surround	VERB
bibechana-74596	130	23	species	specie	NOUN
bibechana-74596	130	24	in	in	ADP
bibechana-74596	130	25	hydrogen	hydrogen	NOUN
bibechana-74596	130	26	bonding	bonding	NOUN
bibechana-74596	130	27	in	in	ADP
bibechana-74596	130	28	crystal	crystal	NOUN
bibechana-74596	130	29	packing	packing	NOUN
bibechana-74596	130	30	and	and	CCONJ
bibechana-74596	130	31	ligand	ligand	NOUN
bibechana-74596	130	32	-	-	PUNCT
bibechana-74596	130	33	protein	protein	NOUN
bibechana-74596	130	34	interaction	interaction	NOUN
bibechana-74596	130	35	[	[	X
bibechana-74596	130	36	35	35	NUM
bibechana-74596	130	37	]	]	PUNCT
bibechana-74596	130	38	.	.	PUNCT
bibechana-74596	131	1	the	the	DET
bibechana-74596	131	2	distribution	distribution	NOUN
bibechana-74596	131	3	of	of	ADP
bibechana-74596	131	4	charge	charge	NOUN
bibechana-74596	131	5	on	on	ADP
bibechana-74596	131	6	the	the	DET
bibechana-74596	131	7	heavy	heavy	ADJ
bibechana-74596	131	8	atoms	atom	NOUN
bibechana-74596	131	9	of	of	ADP
bibechana-74596	131	10	gdp	gdp	NOUN
bibechana-74596	131	11	is	be	AUX
bibechana-74596	131	12	presented	present	VERB
bibechana-74596	131	13	in	in	ADP
bibechana-74596	131	14	figure	figure	NOUN
bibechana-74596	131	15	7	7	NUM
bibechana-74596	131	16	.	.	PUNCT
bibechana-74596	132	1	from	from	ADP
bibechana-74596	132	2	this	this	DET
bibechana-74596	132	3	analysis	analysis	NOUN
bibechana-74596	132	4	it	it	PRON
bibechana-74596	132	5	is	be	AUX
bibechana-74596	132	6	clear	clear	ADJ
bibechana-74596	132	7	that	that	SCONJ
bibechana-74596	132	8	the	the	DET
bibechana-74596	132	9	concentration	concentration	NOUN
bibechana-74596	132	10	of	of	ADP
bibechana-74596	132	11	negative	negative	ADJ
bibechana-74596	132	12	charge	charge	NOUN
bibechana-74596	132	13	is	be	AUX
bibechana-74596	132	14	mainly	mainly	ADV
bibechana-74596	132	15	on	on	ADP
bibechana-74596	132	16	o2	o2	PROPN
bibechana-74596	132	17	,	,	PUNCT
bibechana-74596	132	18	o5	o5	PROPN
bibechana-74596	132	19	,	,	PUNCT
bibechana-74596	132	20	o7	o7	PROPN
bibechana-74596	132	21	,	,	PUNCT
bibechana-74596	132	22	c17	c17	NOUN
bibechana-74596	132	23	,	,	PUNCT
bibechana-74596	132	24	n29	n29	NOUN
bibechana-74596	132	25	,	,	PUNCT
bibechana-74596	132	26	c30	c30	PROPN
bibechana-74596	132	27	,	,	PUNCT
bibechana-74596	132	28	and	and	CCONJ
bibechana-74596	132	29	o31	o31	NOUN
bibechana-74596	132	30	.	.	PUNCT
bibechana-74596	133	1	out	out	ADP
bibechana-74596	133	2	of	of	ADP
bibechana-74596	133	3	these	these	DET
bibechana-74596	133	4	atoms	atom	NOUN
bibechana-74596	133	5	,	,	PUNCT
bibechana-74596	133	6	the	the	DET
bibechana-74596	133	7	highest	high	ADJ
bibechana-74596	133	8	value	value	NOUN
bibechana-74596	133	9	of	of	ADP
bibechana-74596	133	10	negative	negative	ADJ
bibechana-74596	133	11	charge	charge	NOUN
bibechana-74596	133	12	is	be	AUX
bibechana-74596	133	13	seen	see	VERB
bibechana-74596	133	14	on	on	ADP
bibechana-74596	133	15	c17	c17	NOUN
bibechana-74596	133	16	.	.	PUNCT
bibechana-74596	134	1	this	this	PRON
bibechana-74596	134	2	is	be	AUX
bibechana-74596	134	3	due	due	ADJ
bibechana-74596	134	4	to	to	ADP
bibechana-74596	134	5	shearing	shearing	NOUN
bibechana-74596	134	6	of	of	ADP
bibechana-74596	134	7	charge	charge	NOUN
bibechana-74596	134	8	among	among	ADP
bibechana-74596	134	9	c16	c16	PROPN
bibechana-74596	134	10	,	,	PUNCT
bibechana-74596	134	11	n18	n18	PROPN
bibechana-74596	134	12	and	and	CCONJ
bibechana-74596	134	13	o32	o32	ADJ
bibechana-74596	134	14	atoms	atom	NOUN
bibechana-74596	134	15	.	.	PUNCT
bibechana-74596	135	1	similarly	similarly	ADV
bibechana-74596	135	2	,	,	PUNCT
bibechana-74596	135	3	the	the	DET
bibechana-74596	135	4	concentration	concentration	NOUN
bibechana-74596	135	5	of	of	ADP
bibechana-74596	135	6	positive	positive	ADJ
bibechana-74596	135	7	charge	charge	NOUN
bibechana-74596	135	8	is	be	AUX
bibechana-74596	135	9	more	more	ADV
bibechana-74596	135	10	across	across	ADP
bibechana-74596	135	11	p6	p6	PROPN
bibechana-74596	135	12	,	,	PUNCT
bibechana-74596	135	13	n18	n18	PROPN
bibechana-74596	135	14	and	and	CCONJ
bibechana-74596	135	15	c19	c19	NOUN
bibechana-74596	135	16	.	.	PUNCT
bibechana-74596	136	1	but	but	CCONJ
bibechana-74596	136	2	the	the	DET
bibechana-74596	136	3	highest	high	ADJ
bibechana-74596	136	4	value	value	NOUN
bibechana-74596	136	5	of	of	ADP
bibechana-74596	136	6	positive	positive	ADJ
bibechana-74596	136	7	charge	charge	NOUN
bibechana-74596	136	8	is	be	AUX
bibechana-74596	136	9	calculated	calculate	VERB
bibechana-74596	136	10	across	across	ADP
bibechana-74596	136	11	n18	n18	PROPN
bibechana-74596	136	12	.	.	PUNCT
bibechana-74596	137	1	these	these	DET
bibechana-74596	137	2	atoms	atom	NOUN
bibechana-74596	137	3	have	have	VERB
bibechana-74596	137	4	prominent	prominent	ADJ
bibechana-74596	137	5	role	role	NOUN
bibechana-74596	137	6	to	to	PART
bibechana-74596	137	7	take	take	VERB
bibechana-74596	137	8	part	part	NOUN
bibechana-74596	137	9	in	in	ADP
bibechana-74596	137	10	ligand	ligand	NOUN
bibechana-74596	137	11	-	-	PUNCT
bibechana-74596	137	12	protein	protein	NOUN
bibechana-74596	137	13	reaction	reaction	NOUN
bibechana-74596	137	14	.	.	PUNCT
bibechana-74596	138	1	figure	figure	VERB
bibechana-74596	138	2	7	7	NUM
bibechana-74596	138	3	:	:	PUNCT
bibechana-74596	138	4	mulliken	mulliken	NOUN
bibechana-74596	138	5	charge	charge	NOUN
bibechana-74596	138	6	with	with	ADP
bibechana-74596	138	7	hydrogen	hydrogen	NOUN
bibechana-74596	138	8	summed	sum	VERB
bibechana-74596	138	9	into	into	ADP
bibechana-74596	138	10	heavy	heavy	ADJ
bibechana-74596	138	11	atoms	atom	NOUN
bibechana-74596	138	12	on	on	ADP
bibechana-74596	138	13	gdp	gdp	NOUN
bibechana-74596	138	14	from	from	ADP
bibechana-74596	138	15	b3lyp/6311++g(d	b3lyp/6311++g(d	PROPN
bibechana-74596	138	16	,	,	PUNCT
bibechana-74596	138	17	p	p	NOUN
bibechana-74596	138	18	)	)	PUNCT
bibechana-74596	138	19	.	.	PUNCT
bibechana-74596	139	1	3.6	3.6	NUM
bibechana-74596	139	2	uv	uv	NOUN
bibechana-74596	139	3	-	-	PUNCT
bibechana-74596	139	4	visible	visible	ADJ
bibechana-74596	139	5	spectra	spectra	ADJ
bibechana-74596	139	6	analysis	analysis	NOUN
bibechana-74596	139	7	the	the	DET
bibechana-74596	139	8	essential	essential	ADJ
bibechana-74596	139	9	and	and	CCONJ
bibechana-74596	139	10	useful	useful	ADJ
bibechana-74596	139	11	technique	technique	NOUN
bibechana-74596	139	12	to	to	PART
bibechana-74596	139	13	study	study	VERB
bibechana-74596	139	14	the	the	DET
bibechana-74596	139	15	biologically	biologically	ADV
bibechana-74596	139	16	active	active	ADJ
bibechana-74596	139	17	compounds	compound	NOUN
bibechana-74596	139	18	is	be	AUX
bibechana-74596	139	19	uv	uv	NOUN
bibechana-74596	139	20	-	-	PUNCT
bibechana-74596	139	21	vis	vis	X
bibechana-74596	139	22	spectroscopy	spectroscopy	NOUN
bibechana-74596	139	23	.	.	PUNCT
bibechana-74596	140	1	the	the	DET
bibechana-74596	140	2	spectrum	spectrum	NOUN
bibechana-74596	140	3	helps	help	VERB
bibechana-74596	140	4	in	in	ADP
bibechana-74596	140	5	the	the	DET
bibechana-74596	140	6	characterization	characterization	NOUN
bibechana-74596	140	7	of	of	ADP
bibechana-74596	140	8	substances	substance	NOUN
bibechana-74596	140	9	and	and	CCONJ
bibechana-74596	140	10	gives	give	VERB
bibechana-74596	140	11	an	an	DET
bibechana-74596	140	12	idea	idea	NOUN
bibechana-74596	140	13	regarding	regard	VERB
bibechana-74596	140	14	their	their	PRON
bibechana-74596	140	15	electronic	electronic	ADJ
bibechana-74596	140	16	structure	structure	NOUN
bibechana-74596	140	17	.	.	PUNCT
bibechana-74596	141	1	the	the	DET
bibechana-74596	141	2	spectrum	spectrum	NOUN
bibechana-74596	141	3	is	be	AUX
bibechana-74596	141	4	used	use	VERB
bibechana-74596	141	5	to	to	PART
bibechana-74596	141	6	check	check	VERB
bibechana-74596	141	7	biological	biological	ADJ
bibechana-74596	141	8	activity	activity	NOUN
bibechana-74596	141	9	of	of	ADP
bibechana-74596	141	10	compounds	compound	NOUN
bibechana-74596	141	11	when	when	SCONJ
bibechana-74596	141	12	changes	change	NOUN
bibechana-74596	141	13	are	be	AUX
bibechana-74596	141	14	made	make	VERB
bibechana-74596	141	15	to	to	ADP
bibechana-74596	141	16	functional	functional	ADJ
bibechana-74596	141	17	groups	group	NOUN
bibechana-74596	141	18	that	that	PRON
bibechana-74596	141	19	insure	insure	VERB
bibechana-74596	141	20	the	the	DET
bibechana-74596	141	21	change	change	NOUN
bibechana-74596	141	22	in	in	ADP
bibechana-74596	141	23	(	(	PUNCT
bibechana-74596	141	24	increase	increase	NOUN
bibechana-74596	141	25	or	or	CCONJ
bibechana-74596	141	26	decrease	decrease	NOUN
bibechana-74596	141	27	)	)	PUNCT
bibechana-74596	141	28	drug	drug	NOUN
bibechana-74596	141	29	activity	activity	NOUN
bibechana-74596	141	30	of	of	ADP
bibechana-74596	141	31	molecules	molecule	NOUN
bibechana-74596	141	32	when	when	SCONJ
bibechana-74596	141	33	derivatives	derivative	NOUN
bibechana-74596	141	34	are	be	AUX
bibechana-74596	141	35	synthesized	synthesize	VERB
bibechana-74596	141	36	[	[	PUNCT
bibechana-74596	141	37	35	35	NUM
bibechana-74596	141	38	]	]	PUNCT
bibechana-74596	141	39	.	.	PUNCT
bibechana-74596	142	1	besides	besides	SCONJ
bibechana-74596	142	2	these	these	DET
bibechana-74596	142	3	activities	activity	NOUN
bibechana-74596	142	4	,	,	PUNCT
bibechana-74596	142	5	it	it	PRON
bibechana-74596	142	6	also	also	ADV
bibechana-74596	142	7	helps	help	VERB
bibechana-74596	142	8	with	with	ADP
bibechana-74596	142	9	compound	compound	NOUN
bibechana-74596	142	10	stability	stability	NOUN
bibechana-74596	142	11	,	,	PUNCT
bibechana-74596	142	12	activity	activity	NOUN
bibechana-74596	142	13	quantification	quantification	NOUN
bibechana-74596	142	14	,	,	PUNCT
bibechana-74596	142	15	and	and	CCONJ
bibechana-74596	142	16	interaction	interaction	NOUN
bibechana-74596	142	17	monitoring	monitoring	NOUN
bibechana-74596	142	18	which	which	PRON
bibechana-74596	142	19	are	be	AUX
bibechana-74596	142	20	critical	critical	ADJ
bibechana-74596	142	21	for	for	ADP
bibechana-74596	142	22	assessing	assess	VERB
bibechana-74596	142	23	and	and	CCONJ
bibechana-74596	142	24	maximizing	maximize	VERB
bibechana-74596	142	25	biological	biological	ADJ
bibechana-74596	142	26	activity	activity	NOUN
bibechana-74596	142	27	.	.	PUNCT
bibechana-74596	143	1	uv	uv	NOUN
bibechana-74596	143	2	-	-	PUNCT
bibechana-74596	143	3	vis	vis	X
bibechana-74596	143	4	spectroscopy	spectroscopy	NOUN
bibechana-74596	143	5	can	can	AUX
bibechana-74596	143	6	monitor	monitor	VERB
bibechana-74596	143	7	enzyme	enzyme	NOUN
bibechana-74596	143	8	activity	activity	NOUN
bibechana-74596	143	9	in	in	ADP
bibechana-74596	143	10	real	real	ADJ
bibechana-74596	143	11	time	time	NOUN
bibechana-74596	143	12	;	;	PUNCT
bibechana-74596	143	13	it	it	PRON
bibechana-74596	143	14	helps	help	VERB
bibechana-74596	143	15	to	to	PART
bibechana-74596	143	16	study	study	VERB
bibechana-74596	143	17	the	the	DET
bibechana-74596	143	18	photo	photo	NOUN
bibechana-74596	143	19	stability	stability	NOUN
bibechana-74596	143	20	of	of	ADP
bibechana-74596	143	21	biologically	biologically	ADV
bibechana-74596	143	22	active	active	ADJ
bibechana-74596	143	23	compounds	compound	NOUN
bibechana-74596	143	24	[	[	X
bibechana-74596	143	25	36	36	NUM
bibechana-74596	143	26	]	]	PUNCT
bibechana-74596	143	27	.	.	PUNCT
bibechana-74596	144	1	it	it	PRON
bibechana-74596	144	2	helps	help	VERB
bibechana-74596	144	3	to	to	PART
bibechana-74596	144	4	quantify	quantify	VERB
bibechana-74596	144	5	the	the	DET
bibechana-74596	144	6	changes	change	NOUN
bibechana-74596	144	7	in	in	ADP
bibechana-74596	144	8	absorbance	absorbance	NOUN
bibechana-74596	144	9	upon	upon	SCONJ
bibechana-74596	144	10	binding	bind	VERB
bibechana-74596	144	11	,	,	PUNCT
bibechana-74596	144	12	indicating	indicate	VERB
bibechana-74596	144	13	interaction	interaction	NOUN
bibechana-74596	144	14	mechanisms	mechanism	NOUN
bibechana-74596	144	15	,	,	PUNCT
bibechana-74596	144	16	binding	bind	VERB
bibechana-74596	144	17	constants	constant	NOUN
bibechana-74596	144	18	,	,	PUNCT
bibechana-74596	144	19	and	and	CCONJ
bibechana-74596	144	20	binding	bind	VERB
bibechana-74596	144	21	sites	site	NOUN
bibechana-74596	144	22	.	.	PUNCT
bibechana-74596	145	1	moreover	moreover	ADV
bibechana-74596	145	2	,	,	PUNCT
bibechana-74596	145	3	it	it	PRON
bibechana-74596	145	4	helps	help	VERB
bibechana-74596	145	5	to	to	PART
bibechana-74596	145	6	examine	examine	VERB
bibechana-74596	145	7	the	the	DET
bibechana-74596	145	8	electronic	electronic	ADJ
bibechana-74596	145	9	structure	structure	NOUN
bibechana-74596	145	10	,	,	PUNCT
bibechana-74596	145	11	aromatic	aromatic	ADJ
bibechana-74596	145	12	rings	ring	NOUN
bibechana-74596	145	13	,	,	PUNCT
bibechana-74596	145	14	and	and	CCONJ
bibechana-74596	145	15	functional	functional	ADJ
bibechana-74596	145	16	group	group	NOUN
bibechana-74596	145	17	present	present	ADJ
bibechana-74596	145	18	in	in	ADP
bibechana-74596	145	19	the	the	DET
bibechana-74596	145	20	compound	compound	NOUN
bibechana-74596	145	21	and	and	CCONJ
bibechana-74596	145	22	the	the	DET
bibechana-74596	145	23	band	band	NOUN
bibechana-74596	145	24	gap	gap	NOUN
bibechana-74596	145	25	energy	energy	NOUN
bibechana-74596	145	26	of	of	ADP
bibechana-74596	145	27	compound	compound	NOUN
bibechana-74596	145	28	to	to	PART
bibechana-74596	145	29	check	check	VERB
bibechana-74596	145	30	the	the	DET
bibechana-74596	145	31	nature	nature	NOUN
bibechana-74596	145	32	of	of	ADP
bibechana-74596	145	33	compound	compound	NOUN
bibechana-74596	145	34	whether	whether	SCONJ
bibechana-74596	145	35	it	it	PRON
bibechana-74596	145	36	is	be	AUX
bibechana-74596	145	37	semiconductor	semiconductor	NOUN
bibechana-74596	145	38	or	or	CCONJ
bibechana-74596	145	39	other	other	ADJ
bibechana-74596	145	40	type	type	NOUN
bibechana-74596	145	41	of	of	ADP
bibechana-74596	145	42	materials	material	NOUN
bibechana-74596	145	43	[	[	X
bibechana-74596	145	44	37	37	NUM
bibechana-74596	145	45	,	,	PUNCT
bibechana-74596	145	46	38	38	NUM
bibechana-74596	145	47	]	]	PUNCT
bibechana-74596	145	48	.	.	PUNCT
bibechana-74596	146	1	besides	besides	SCONJ
bibechana-74596	146	2	that	that	PRON
bibechana-74596	146	3	it	it	PRON
bibechana-74596	146	4	has	have	VERB
bibechana-74596	146	5	wide	wide	ADJ
bibechana-74596	146	6	applications	application	NOUN
bibechana-74596	146	7	to	to	PART
bibechana-74596	146	8	measure	measure	VERB
bibechana-74596	146	9	the	the	DET
bibechana-74596	146	10	concentration	concentration	NOUN
bibechana-74596	146	11	and	and	CCONJ
bibechana-74596	146	12	interaction	interaction	NOUN
bibechana-74596	146	13	of	of	ADP
bibechana-74596	146	14	proteins	protein	NOUN
bibechana-74596	146	15	and	and	CCONJ
bibechana-74596	146	16	nucleic	nucleic	ADJ
bibechana-74596	146	17	acids	acid	NOUN
bibechana-74596	146	18	as	as	ADV
bibechana-74596	146	19	well	well	ADV
bibechana-74596	146	20	as	as	SCONJ
bibechana-74596	146	21	it	it	PRON
bibechana-74596	146	22	is	be	AUX
bibechana-74596	146	23	used	use	VERB
bibechana-74596	146	24	to	to	PART
bibechana-74596	146	25	study	study	VERB
bibechana-74596	146	26	the	the	DET
bibechana-74596	146	27	enzyme	enzyme	NOUN
bibechana-74596	146	28	activity	activity	NOUN
bibechana-74596	146	29	.	.	PUNCT
bibechana-74596	147	1	the	the	DET
bibechana-74596	147	2	uvvis	uvvis	PROPN
bibechana-74596	147	3	spectra	spectra	PROPN
bibechana-74596	147	4	of	of	ADP
bibechana-74596	147	5	gdp	gdp	NOUN
bibechana-74596	147	6	is	be	AUX
bibechana-74596	147	7	calculated	calculate	VERB
bibechana-74596	147	8	in	in	ADP
bibechana-74596	147	9	gaseous	gaseous	ADJ
bibechana-74596	147	10	state	state	NOUN
bibechana-74596	147	11	by	by	ADP
bibechana-74596	147	12	employing	employ	VERB
bibechana-74596	147	13	the	the	DET
bibechana-74596	147	14	td	td	NOUN
bibechana-74596	147	15	-	-	PUNCT
bibechana-74596	147	16	b3lyp/6	b3lyp/6	NOUN
bibechana-74596	147	17	-	-	NOUN
bibechana-74596	147	18	311++g(d	311++g(d	ADJ
bibechana-74596	147	19	,	,	PUNCT
bibechana-74596	147	20	p	p	NOUN
bibechana-74596	147	21	)	)	PUNCT
bibechana-74596	147	22	themanoj	themanoj	NOUN
bibechana-74596	147	23	kumar	kumar	PROPN
bibechana-74596	147	24	chaudhary	chaudhary	PROPN
bibechana-74596	147	25	et	et	PROPN
bibechana-74596	147	26	al./	al./	ADV
bibechana-74596	147	27	bibechana	bibechana	PROPN
bibechana-74596	147	28	22	22	NUM
bibechana-74596	147	29	(	(	PUNCT
bibechana-74596	147	30	2025	2025	NUM
bibechana-74596	147	31	)	)	PUNCT
bibechana-74596	147	32	205	205	NUM
bibechana-74596	147	33	-	-	SYM
bibechana-74596	147	34	214	214	NUM
bibechana-74596	147	35	211	211	NUM
bibechana-74596	147	36	ory	ory	NOUN
bibechana-74596	147	37	.	.	PUNCT
bibechana-74596	148	1	the	the	DET
bibechana-74596	148	2	uv	uv	NOUN
bibechana-74596	148	3	-	-	PUNCT
bibechana-74596	148	4	vis	vis	X
bibechana-74596	148	5	spectra	spectra	NOUN
bibechana-74596	148	6	is	be	AUX
bibechana-74596	148	7	plotted	plot	VERB
bibechana-74596	148	8	which	which	PRON
bibechana-74596	148	9	is	be	AUX
bibechana-74596	148	10	presented	present	VERB
bibechana-74596	148	11	in	in	ADP
bibechana-74596	148	12	figure	figure	NOUN
bibechana-74596	148	13	8	8	NUM
bibechana-74596	148	14	.	.	PUNCT
bibechana-74596	149	1	the	the	DET
bibechana-74596	149	2	absorption	absorption	NOUN
bibechana-74596	149	3	peak	peak	NOUN
bibechana-74596	149	4	is	be	AUX
bibechana-74596	149	5	obtained	obtain	VERB
bibechana-74596	149	6	at	at	ADP
bibechana-74596	149	7	271	271	NUM
bibechana-74596	149	8	nm	nm	NUM
bibechana-74596	149	9	which	which	PRON
bibechana-74596	149	10	infer	infer	VERB
bibechana-74596	149	11	that	that	SCONJ
bibechana-74596	149	12	there	there	PRON
bibechana-74596	149	13	is	be	VERB
bibechana-74596	149	14	delocalization	delocalization	NOUN
bibechana-74596	149	15	of	of	ADP
bibechana-74596	149	16	-electron	-electron	NOUN
bibechana-74596	149	17	due	due	ADP
bibechana-74596	149	18	to	to	ADP
bibechana-74596	149	19	guanine	guanine	NOUN
bibechana-74596	149	20	base	base	NOUN
bibechana-74596	149	21	which	which	PRON
bibechana-74596	149	22	contains	contain	VERB
bibechana-74596	149	23	conjugated	conjugate	VERB
bibechana-74596	149	24	double	double	ADJ
bibechana-74596	149	25	bonds	bond	NOUN
bibechana-74596	149	26	and	and	CCONJ
bibechana-74596	149	27	aromatic	aromatic	ADJ
bibechana-74596	149	28	ring	ring	NOUN
bibechana-74596	149	29	in	in	ADP
bibechana-74596	149	30	gdp	gdp	NOUN
bibechana-74596	149	31	.	.	PUNCT
bibechana-74596	150	1	in	in	ADP
bibechana-74596	150	2	guanine	guanine	NOUN
bibechana-74596	150	3	base	base	NOUN
bibechana-74596	150	4	structure	structure	NOUN
bibechana-74596	150	5	there	there	PRON
bibechana-74596	150	6	is	be	VERB
bibechana-74596	150	7	also	also	ADV
bibechana-74596	150	8	absorption	absorption	NOUN
bibechana-74596	150	9	of	of	ADP
bibechana-74596	150	10	lone	lone	ADJ
bibechana-74596	150	11	pair	pair	NOUN
bibechana-74596	150	12	electrons	electron	NOUN
bibechana-74596	150	13	η	η	PROPN
bibechana-74596	150	14	due	due	ADP
bibechana-74596	150	15	to	to	ADP
bibechana-74596	150	16	presence	presence	NOUN
bibechana-74596	150	17	of	of	ADP
bibechana-74596	150	18	nitrogen	nitrogen	NOUN
bibechana-74596	150	19	(	(	PUNCT
bibechana-74596	150	20	n	n	CCONJ
bibechana-74596	150	21	)	)	PUNCT
bibechana-74596	150	22	and	and	CCONJ
bibechana-74596	150	23	oxygen	oxygen	NOUN
bibechana-74596	150	24	(	(	PUNCT
bibechana-74596	150	25	o	o	NOUN
bibechana-74596	150	26	)	)	PUNCT
bibechana-74596	150	27	atoms	atom	NOUN
bibechana-74596	150	28	in	in	ADP
bibechana-74596	150	29	gdp	gdp	NOUN
bibechana-74596	150	30	.	.	PUNCT
bibechana-74596	151	1	thus	thus	ADV
bibechana-74596	151	2	,	,	PUNCT
bibechana-74596	151	3	there	there	PRON
bibechana-74596	151	4	is	be	VERB
bibechana-74596	151	5	transition	transition	NOUN
bibechana-74596	151	6	of	of	ADP
bibechana-74596	151	7	π	π	PROPN
bibechana-74596	151	8	→	→	SYM
bibechana-74596	151	9	π∗	π∗	PROPN
bibechana-74596	151	10	and	and	CCONJ
bibechana-74596	151	11	η	η	PROPN
bibechana-74596	151	12	→	→	SYM
bibechana-74596	151	13	π∗	π∗	PROPN
bibechana-74596	151	14	electrons	electron	NOUN
bibechana-74596	151	15	and	and	CCONJ
bibechana-74596	151	16	in	in	ADP
bibechana-74596	151	17	such	such	ADJ
bibechana-74596	151	18	case	case	NOUN
bibechana-74596	151	19	the	the	DET
bibechana-74596	151	20	order	order	NOUN
bibechana-74596	151	21	absorption	absorption	NOUN
bibechana-74596	151	22	wavelength	wavelength	NOUN
bibechana-74596	151	23	is	be	AUX
bibechana-74596	151	24	(	(	PUNCT
bibechana-74596	151	25	250	250	NUM
bibechana-74596	151	26	-	-	SYM
bibechana-74596	151	27	280	280	NUM
bibechana-74596	151	28	)	)	PUNCT
bibechana-74596	151	29	nm	nm	NOUN
bibechana-74596	151	30	.	.	PUNCT
bibechana-74596	152	1	the	the	DET
bibechana-74596	152	2	percentage	percentage	NOUN
bibechana-74596	152	3	contribution	contribution	NOUN
bibechana-74596	152	4	of	of	ADP
bibechana-74596	152	5	molecular	molecular	ADJ
bibechana-74596	152	6	orbitals	orbital	NOUN
bibechana-74596	152	7	along	along	ADP
bibechana-74596	152	8	with	with	ADP
bibechana-74596	152	9	oscillator	oscillator	NOUN
bibechana-74596	152	10	strength	strength	NOUN
bibechana-74596	152	11	,	,	PUNCT
bibechana-74596	152	12	energy	energy	NOUN
bibechana-74596	152	13	gap	gap	NOUN
bibechana-74596	152	14	and	and	CCONJ
bibechana-74596	152	15	maximum	maximum	ADJ
bibechana-74596	152	16	absorption	absorption	NOUN
bibechana-74596	152	17	wavelength	wavelength	NOUN
bibechana-74596	152	18	is	be	AUX
bibechana-74596	152	19	presented	present	VERB
bibechana-74596	152	20	in	in	ADP
bibechana-74596	152	21	table	table	NOUN
bibechana-74596	152	22	4	4	NUM
bibechana-74596	152	23	.	.	PUNCT
bibechana-74596	153	1	the	the	DET
bibechana-74596	153	2	homo	homo	NOUN
bibechana-74596	153	3	orbital	orbital	NOUN
bibechana-74596	153	4	is	be	AUX
bibechana-74596	153	5	114	114	NUM
bibechana-74596	153	6	and	and	CCONJ
bibechana-74596	153	7	lumo	lumo	ADJ
bibechana-74596	153	8	orbital	orbital	NOUN
bibechana-74596	153	9	is	be	AUX
bibechana-74596	153	10	115	115	NUM
bibechana-74596	153	11	.	.	PUNCT
bibechana-74596	154	1	the	the	DET
bibechana-74596	154	2	first	first	ADJ
bibechana-74596	154	3	excited	excited	ADJ
bibechana-74596	154	4	state	state	NOUN
bibechana-74596	154	5	(	(	PUNCT
bibechana-74596	154	6	homo→lumo	homo→lumo	PROPN
bibechana-74596	154	7	(	(	PUNCT
bibechana-74596	154	8	100	100	NUM
bibechana-74596	154	9	%	%	NOUN
bibechana-74596	154	10	)	)	PUNCT
bibechana-74596	154	11	)	)	PUNCT
bibechana-74596	154	12	is	be	AUX
bibechana-74596	154	13	calculated	calculate	VERB
bibechana-74596	154	14	as	as	ADP
bibechana-74596	154	15	4.06	4.06	NUM
bibechana-74596	154	16	ev	ev	NOUN
bibechana-74596	154	17	corresponding	correspond	VERB
bibechana-74596	154	18	to	to	ADP
bibechana-74596	154	19	λmax=305.17	λmax=305.17	PRON
bibechana-74596	154	20	nm	nm	ADP
bibechana-74596	154	21	having	have	VERB
bibechana-74596	154	22	minimum	minimum	NOUN
bibechana-74596	154	23	oscillator	oscillator	NOUN
bibechana-74596	154	24	strength=0.0001	strength=0.0001	NOUN
bibechana-74596	154	25	.	.	PUNCT
bibechana-74596	155	1	this	this	PRON
bibechana-74596	155	2	is	be	AUX
bibechana-74596	155	3	due	due	ADJ
bibechana-74596	155	4	to	to	ADP
bibechana-74596	155	5	the	the	DET
bibechana-74596	155	6	transition	transition	NOUN
bibechana-74596	155	7	of	of	ADP
bibechana-74596	155	8	π	π	PROPN
bibechana-74596	155	9	→	→	SYM
bibechana-74596	155	10	π∗	π∗	NOUN
bibechana-74596	155	11	electrons	electron	NOUN
bibechana-74596	155	12	.	.	PUNCT
bibechana-74596	156	1	similarly	similarly	ADV
bibechana-74596	156	2	,	,	PUNCT
bibechana-74596	156	3	the	the	DET
bibechana-74596	156	4	second	second	ADJ
bibechana-74596	156	5	excited	excited	ADJ
bibechana-74596	156	6	state	state	NOUN
bibechana-74596	156	7	is	be	AUX
bibechana-74596	156	8	calculated	calculate	VERB
bibechana-74596	156	9	at	at	ADP
bibechana-74596	156	10	275.06	275.06	NUM
bibechana-74596	156	11	nm	nm	NOUN
bibechana-74596	156	12	(	(	PUNCT
bibechana-74596	156	13	homo→l+2	homo→l+2	X
bibechana-74596	156	14	(	(	PUNCT
bibechana-74596	156	15	94	94	NUM
bibechana-74596	156	16	%	%	NOUN
bibechana-74596	156	17	)	)	PUNCT
bibechana-74596	156	18	)	)	PUNCT
bibechana-74596	156	19	with	with	ADP
bibechana-74596	156	20	respective	respective	ADJ
bibechana-74596	156	21	excitation	excitation	NOUN
bibechana-74596	156	22	energy	energy	NOUN
bibechana-74596	156	23	and	and	CCONJ
bibechana-74596	156	24	oscillator	oscillator	NOUN
bibechana-74596	156	25	strength	strength	NOUN
bibechana-74596	156	26	4.51ev	4.51ev	PROPN
bibechana-74596	156	27	and	and	CCONJ
bibechana-74596	156	28	0.0237	0.0237	NUM
bibechana-74596	156	29	.	.	PUNCT
bibechana-74596	157	1	this	this	PRON
bibechana-74596	157	2	is	be	AUX
bibechana-74596	157	3	due	due	ADJ
bibechana-74596	157	4	to	to	ADP
bibechana-74596	157	5	transition	transition	NOUN
bibechana-74596	157	6	of	of	ADP
bibechana-74596	157	7	π	π	PROPN
bibechana-74596	157	8	→	→	SYM
bibechana-74596	157	9	π∗	π∗	PROPN
bibechana-74596	157	10	and	and	CCONJ
bibechana-74596	157	11	eta	eta	PROPN
bibechana-74596	157	12	→	→	SYM
bibechana-74596	157	13	π∗	π∗	NOUN
bibechana-74596	157	14	electrons	electron	NOUN
bibechana-74596	157	15	.	.	PUNCT
bibechana-74596	158	1	figure	figure	NOUN
bibechana-74596	158	2	8	8	NUM
bibechana-74596	158	3	:	:	PUNCT
bibechana-74596	158	4	uv	uv	NOUN
bibechana-74596	158	5	-	-	PUNCT
bibechana-74596	158	6	vis	vis	X
bibechana-74596	158	7	absorbance	absorbance	NOUN
bibechana-74596	158	8	of	of	ADP
bibechana-74596	158	9	gdp	gdp	NOUN
bibechana-74596	158	10	in	in	ADP
bibechana-74596	158	11	gas	gas	NOUN
bibechana-74596	158	12	phase	phase	NOUN
bibechana-74596	158	13	calculated	calculate	VERB
bibechana-74596	158	14	with	with	ADP
bibechana-74596	158	15	td	td	NOUN
bibechana-74596	158	16	-	-	PUNCT
bibechana-74596	158	17	b3lyp/6311++g(d	b3lyp/6311++g(d	NOUN
bibechana-74596	158	18	,	,	PUNCT
bibechana-74596	158	19	p	p	X
bibechana-74596	158	20	)	)	PUNCT
bibechana-74596	158	21	3.7	3.7	NUM
bibechana-74596	158	22	molecular	molecular	ADJ
bibechana-74596	158	23	docking	dock	VERB
bibechana-74596	158	24	molecular	molecular	ADJ
bibechana-74596	158	25	docking	docking	NOUN
bibechana-74596	158	26	is	be	AUX
bibechana-74596	158	27	crucial	crucial	ADJ
bibechana-74596	158	28	technique	technique	NOUN
bibechana-74596	158	29	to	to	PART
bibechana-74596	158	30	explore	explore	VERB
bibechana-74596	158	31	the	the	DET
bibechana-74596	158	32	ligand	ligand	ADJ
bibechana-74596	158	33	-	-	PUNCT
bibechana-74596	158	34	protein	protein	NOUN
bibechana-74596	158	35	interaction	interaction	NOUN
bibechana-74596	158	36	.	.	PUNCT
bibechana-74596	159	1	the	the	DET
bibechana-74596	159	2	binding	bind	VERB
bibechana-74596	159	3	sites	site	NOUN
bibechana-74596	159	4	as	as	ADV
bibechana-74596	159	5	well	well	ADV
bibechana-74596	159	6	as	as	ADP
bibechana-74596	159	7	binding	bind	VERB
bibechana-74596	159	8	energy	energy	NOUN
bibechana-74596	159	9	,	,	PUNCT
bibechana-74596	159	10	inhibition	inhibition	VERB
bibechana-74596	159	11	constant	constant	ADJ
bibechana-74596	159	12	and	and	CCONJ
bibechana-74596	159	13	ligand	ligand	ADJ
bibechana-74596	159	14	efficiency	efficiency	NOUN
bibechana-74596	159	15	are	be	AUX
bibechana-74596	159	16	the	the	DET
bibechana-74596	159	17	important	important	ADJ
bibechana-74596	159	18	parameters	parameter	NOUN
bibechana-74596	159	19	which	which	PRON
bibechana-74596	159	20	explain	explain	VERB
bibechana-74596	159	21	the	the	DET
bibechana-74596	159	22	docking	docking	NOUN
bibechana-74596	159	23	analysis	analysis	NOUN
bibechana-74596	159	24	of	of	ADP
bibechana-74596	159	25	ligand	ligand	NOUN
bibechana-74596	159	26	with	with	ADP
bibechana-74596	159	27	predicted	predict	VERB
bibechana-74596	159	28	target	target	NOUN
bibechana-74596	159	29	(	(	PUNCT
bibechana-74596	159	30	protein	protein	NOUN
bibechana-74596	159	31	)	)	PUNCT
bibechana-74596	160	1	[	[	X
bibechana-74596	160	2	39	39	NUM
bibechana-74596	160	3	,	,	PUNCT
bibechana-74596	160	4	40	40	NUM
bibechana-74596	160	5	]	]	PUNCT
bibechana-74596	160	6	.	.	PUNCT
bibechana-74596	161	1	the	the	DET
bibechana-74596	161	2	target	target	NOUN
bibechana-74596	161	3	protein	protein	NOUN
bibechana-74596	161	4	ras	ra	VERB
bibechana-74596	161	5	-	-	ADJ
bibechana-74596	161	6	related	relate	VERB
bibechana-74596	161	7	c3	c3	NOUN
bibechana-74596	161	8	botulinum	botulinum	ADJ
bibechana-74596	161	9	toxin	toxin	NOUN
bibechana-74596	161	10	substrate	substrate	NOUN
bibechana-74596	161	11	1(rac1	1(rac1	NUM
bibechana-74596	161	12	)	)	PUNCT
bibechana-74596	161	13	has	have	AUX
bibechana-74596	161	14	been	be	AUX
bibechana-74596	161	15	predicted	predict	VERB
bibechana-74596	161	16	from	from	ADP
bibechana-74596	161	17	free	free	ADJ
bibechana-74596	161	18	online	online	ADJ
bibechana-74596	161	19	swisstargetprediction	swisstargetprediction	NOUN
bibechana-74596	161	20	and	and	CCONJ
bibechana-74596	161	21	two	two	NUM
bibechana-74596	161	22	protein	protein	NOUN
bibechana-74596	161	23	2p2l	2p2l	NUM
bibechana-74596	161	24	and	and	CCONJ
bibechana-74596	161	25	2h7v	2h7v	NUM
bibechana-74596	161	26	has	have	AUX
bibechana-74596	161	27	been	be	AUX
bibechana-74596	161	28	downloaded	download	VERB
bibechana-74596	161	29	from	from	ADP
bibechana-74596	161	30	protein	protein	NOUN
bibechana-74596	161	31	data	datum	NOUN
bibechana-74596	161	32	bank	bank	NOUN
bibechana-74596	162	1	[	[	X
bibechana-74596	162	2	41	41	NUM
bibechana-74596	162	3	,	,	PUNCT
bibechana-74596	162	4	42	42	NUM
bibechana-74596	162	5	]	]	PUNCT
bibechana-74596	162	6	.	.	PUNCT
bibechana-74596	163	1	the	the	DET
bibechana-74596	163	2	protein	protein	NOUN
bibechana-74596	163	3	has	have	AUX
bibechana-74596	163	4	been	be	AUX
bibechana-74596	163	5	cleaned	clean	VERB
bibechana-74596	163	6	by	by	ADP
bibechana-74596	163	7	removing	remove	VERB
bibechana-74596	163	8	the	the	DET
bibechana-74596	163	9	water	water	NOUN
bibechana-74596	163	10	molecule	molecule	NOUN
bibechana-74596	163	11	and	and	CCONJ
bibechana-74596	163	12	co	co	VERB
bibechana-74596	163	13	-	-	ADJ
bibechana-74596	163	14	crystalized	crystalize	VERB
bibechana-74596	163	15	ligand	ligand	NOUN
bibechana-74596	163	16	.	.	PUNCT
bibechana-74596	164	1	the	the	DET
bibechana-74596	164	2	ligand	ligand	ADJ
bibechana-74596	164	3	gdp	gdp	NOUN
bibechana-74596	164	4	and	and	CCONJ
bibechana-74596	164	5	proteins	protein	NOUN
bibechana-74596	164	6	2p2l	2p2l	NUM
bibechana-74596	164	7	and	and	CCONJ
bibechana-74596	164	8	2h7v	2h7v	NUM
bibechana-74596	164	9	are	be	AUX
bibechana-74596	164	10	prepared	prepare	VERB
bibechana-74596	164	11	for	for	ADP
bibechana-74596	164	12	docking	docking	NOUN
bibechana-74596	164	13	by	by	ADP
bibechana-74596	164	14	converting	convert	VERB
bibechana-74596	164	15	them	they	PRON
bibechana-74596	164	16	into	into	ADP
bibechana-74596	164	17	pdb	pdb	NOUN
bibechana-74596	164	18	file	file	NOUN
bibechana-74596	164	19	.	.	PUNCT
bibechana-74596	165	1	after	after	ADP
bibechana-74596	165	2	that	that	SCONJ
bibechana-74596	165	3	the	the	DET
bibechana-74596	165	4	docking	docking	NOUN
bibechana-74596	165	5	has	have	AUX
bibechana-74596	165	6	been	be	AUX
bibechana-74596	165	7	performed	perform	VERB
bibechana-74596	165	8	from	from	ADP
bibechana-74596	165	9	autodock	autodock	PROPN
bibechana-74596	165	10	vina	vina	NOUN
bibechana-74596	165	11	[	[	X
bibechana-74596	165	12	18	18	NUM
bibechana-74596	165	13	]	]	PUNCT
bibechana-74596	165	14	.	.	PUNCT
bibechana-74596	166	1	the	the	DET
bibechana-74596	166	2	binding	bind	VERB
bibechana-74596	166	3	sites	site	NOUN
bibechana-74596	166	4	have	have	AUX
bibechana-74596	166	5	been	be	AUX
bibechana-74596	166	6	examined	examine	VERB
bibechana-74596	166	7	from	from	ADP
bibechana-74596	166	8	discovery	discovery	NOUN
bibechana-74596	166	9	studio	studio	NOUN
bibechana-74596	166	10	visualizer	visualizer	NOUN
bibechana-74596	166	11	4.5	4.5	NUM
bibechana-74596	167	1	[	[	X
bibechana-74596	167	2	19	19	NUM
bibechana-74596	167	3	]	]	PUNCT
bibechana-74596	167	4	.	.	PUNCT
bibechana-74596	168	1	out	out	ADP
bibechana-74596	168	2	of	of	ADP
bibechana-74596	168	3	the	the	DET
bibechana-74596	168	4	many	many	ADJ
bibechana-74596	168	5	docked	docked	ADJ
bibechana-74596	168	6	conformers	conformer	NOUN
bibechana-74596	168	7	the	the	DET
bibechana-74596	168	8	best	well	ADV
bibechana-74596	168	9	docked	docked	ADJ
bibechana-74596	168	10	conformers	conformer	NOUN
bibechana-74596	168	11	have	have	AUX
bibechana-74596	168	12	been	be	AUX
bibechana-74596	168	13	presented	present	VERB
bibechana-74596	168	14	in	in	ADP
bibechana-74596	168	15	figure	figure	NOUN
bibechana-74596	168	16	9	9	NUM
bibechana-74596	168	17	.	.	PUNCT
bibechana-74596	169	1	the	the	DET
bibechana-74596	169	2	conventional	conventional	ADJ
bibechana-74596	169	3	hydrogen	hydrogen	NOUN
bibechana-74596	169	4	bonds	bond	NOUN
bibechana-74596	169	5	,	,	PUNCT
bibechana-74596	169	6	residue	residue	NOUN
bibechana-74596	169	7	of	of	ADP
bibechana-74596	169	8	amino	amino	NOUN
bibechana-74596	169	9	acid	acid	NOUN
bibechana-74596	169	10	,	,	PUNCT
bibechana-74596	169	11	ligand	ligand	NOUN
bibechana-74596	169	12	efficiency	efficiency	NOUN
bibechana-74596	169	13	,	,	PUNCT
bibechana-74596	169	14	inhibition	inhibition	VERB
bibechana-74596	169	15	constant	constant	ADJ
bibechana-74596	169	16	and	and	CCONJ
bibechana-74596	169	17	binding	bind	VERB
bibechana-74596	169	18	energy	energy	NOUN
bibechana-74596	169	19	of	of	ADP
bibechana-74596	169	20	ligand	ligand	ADJ
bibechana-74596	169	21	-	-	PUNCT
bibechana-74596	169	22	protein	protein	NOUN
bibechana-74596	169	23	interaction	interaction	NOUN
bibechana-74596	169	24	is	be	AUX
bibechana-74596	169	25	presented	present	VERB
bibechana-74596	169	26	in	in	ADP
bibechana-74596	169	27	table	table	NOUN
bibechana-74596	169	28	5	5	NUM
bibechana-74596	169	29	.	.	PUNCT
bibechana-74596	169	30	from	from	ADP
bibechana-74596	169	31	molecular	molecular	ADJ
bibechana-74596	169	32	docking	docking	NOUN
bibechana-74596	169	33	analysis	analysis	NOUN
bibechana-74596	169	34	it	it	PRON
bibechana-74596	169	35	is	be	AUX
bibechana-74596	169	36	confirmed	confirm	VERB
bibechana-74596	169	37	that	that	SCONJ
bibechana-74596	169	38	the	the	DET
bibechana-74596	169	39	binding	bind	VERB
bibechana-74596	169	40	sites	site	NOUN
bibechana-74596	169	41	in	in	ADP
bibechana-74596	169	42	gdp	gdp	NOUN
bibechana-74596	169	43	are	be	AUX
bibechana-74596	169	44	o2	o2	PROPN
bibechana-74596	169	45	,	,	PUNCT
bibechana-74596	169	46	o3	o3	PROPN
bibechana-74596	169	47	,	,	PUNCT
bibechana-74596	169	48	o5	o5	PROPN
bibechana-74596	169	49	,	,	PUNCT
bibechana-74596	169	50	o7	o7	PROPN
bibechana-74596	169	51	,	,	PUNCT
bibechana-74596	169	52	o10	o10	NOUN
bibechana-74596	169	53	,	,	PUNCT
bibechana-74596	169	54	o31	o31	NOUN
bibechana-74596	169	55	,	,	PUNCT
bibechana-74596	169	56	n29	n29	NOUN
bibechana-74596	169	57	,	,	PUNCT
bibechana-74596	169	58	and	and	CCONJ
bibechana-74596	169	59	h34	h34	NOUN
bibechana-74596	169	60	.	.	PUNCT
bibechana-74596	170	1	during	during	ADP
bibechana-74596	170	2	the	the	DET
bibechana-74596	170	3	molecular	molecular	ADJ
bibechana-74596	170	4	docking	docking	NOUN
bibechana-74596	170	5	analysis	analysis	NOUN
bibechana-74596	170	6	of	of	ADP
bibechana-74596	170	7	gdp	gdp	NOUN
bibechana-74596	170	8	with	with	ADP
bibechana-74596	170	9	cell	cell	NOUN
bibechana-74596	170	10	division	division	NOUN
bibechana-74596	170	11	control	control	NOUN
bibechana-74596	170	12	protein	protein	NOUN
bibechana-74596	170	13	42	42	NUM
bibechana-74596	170	14	homolog	homolog	NOUN
bibechana-74596	170	15	(	(	PUNCT
bibechana-74596	170	16	cdc42	cdc42	PROPN
bibechana-74596	170	17	)	)	PUNCT
bibechana-74596	170	18	with	with	ADP
bibechana-74596	170	19	the	the	DET
bibechana-74596	170	20	pdb	pdb	PROPN
bibechana-74596	170	21	codes	code	VERB
bibechana-74596	170	22	1ano	1ano	NUM
bibechana-74596	170	23	,	,	PUNCT
bibechana-74596	170	24	1a4r	1a4r	ADJ
bibechana-74596	170	25	and	and	CCONJ
bibechana-74596	170	26	1doa	1doa	NUM
bibechana-74596	170	27	;	;	PUNCT
bibechana-74596	170	28	the	the	DET
bibechana-74596	170	29	binding	bind	VERB
bibechana-74596	170	30	sites	site	NOUN
bibechana-74596	170	31	was	be	AUX
bibechana-74596	170	32	found	find	VERB
bibechana-74596	170	33	to	to	PART
bibechana-74596	170	34	be	be	AUX
bibechana-74596	170	35	almost	almost	ADV
bibechana-74596	170	36	same	same	ADJ
bibechana-74596	170	37	[	[	X
bibechana-74596	170	38	43	43	NUM
bibechana-74596	170	39	]	]	PUNCT
bibechana-74596	170	40	.	.	PUNCT
bibechana-74596	171	1	the	the	DET
bibechana-74596	171	2	binding	bind	VERB
bibechana-74596	171	3	energy	energy	NOUN
bibechana-74596	171	4	for	for	ADP
bibechana-74596	171	5	2p2l	2p2l	NUM
bibechana-74596	171	6	(	(	PUNCT
bibechana-74596	171	7	-8.0	-8.0	INTJ
bibechana-74596	171	8	kcal	kcal	PROPN
bibechana-74596	171	9	/	/	SYM
bibechana-74596	171	10	mol	mol	NOUN
bibechana-74596	171	11	)	)	PUNCT
bibechana-74596	171	12	is	be	AUX
bibechana-74596	171	13	more	more	ADJ
bibechana-74596	171	14	than	than	ADP
bibechana-74596	171	15	the	the	DET
bibechana-74596	171	16	binding	bind	VERB
bibechana-74596	171	17	energy	energy	NOUN
bibechana-74596	171	18	of	of	ADP
bibechana-74596	171	19	2h7v	2h7v	NUM
bibechana-74596	171	20	(	(	PUNCT
bibechana-74596	171	21	-7.4	-7.4	PROPN
bibechana-74596	171	22	kcal	kcal	PROPN
bibechana-74596	171	23	/	/	SYM
bibechana-74596	171	24	mol	mol	PROPN
bibechana-74596	171	25	)	)	PUNCT
bibechana-74596	171	26	.	.	PUNCT
bibechana-74596	172	1	moreover	moreover	ADV
bibechana-74596	172	2	,	,	PUNCT
bibechana-74596	172	3	the	the	DET
bibechana-74596	172	4	inhibition	inhibition	NOUN
bibechana-74596	172	5	constant	constant	ADJ
bibechana-74596	172	6	of	of	ADP
bibechana-74596	172	7	former	former	ADJ
bibechana-74596	172	8	(	(	PUNCT
bibechana-74596	172	9	1.35	1.35	NUM
bibechana-74596	172	10	µm	µm	NOUN
bibechana-74596	172	11	)	)	PUNCT
bibechana-74596	172	12	is	be	AUX
bibechana-74596	172	13	less	less	ADJ
bibechana-74596	172	14	(	(	PUNCT
bibechana-74596	172	15	3.73	3.73	NUM
bibechana-74596	172	16	µm	µm	NOUN
bibechana-74596	172	17	)	)	PUNCT
bibechana-74596	172	18	than	than	ADP
bibechana-74596	172	19	the	the	DET
bibechana-74596	172	20	later	late	ADJ
bibechana-74596	172	21	one	one	NUM
bibechana-74596	172	22	.	.	PUNCT
bibechana-74596	173	1	the	the	DET
bibechana-74596	173	2	number	number	NOUN
bibechana-74596	173	3	of	of	ADP
bibechana-74596	173	4	conventional	conventional	ADJ
bibechana-74596	173	5	hydrogen	hydrogen	NOUN
bibechana-74596	173	6	bond	bond	NOUN
bibechana-74596	173	7	in	in	ADP
bibechana-74596	173	8	2p2l	2p2l	NUM
bibechana-74596	173	9	is	be	AUX
bibechana-74596	173	10	10	10	NUM
bibechana-74596	173	11	and	and	CCONJ
bibechana-74596	173	12	the	the	DET
bibechana-74596	173	13	number	number	NOUN
bibechana-74596	173	14	of	of	ADP
bibechana-74596	173	15	hydrogen	hydrogen	NOUN
bibechana-74596	173	16	bond	bond	NOUN
bibechana-74596	173	17	in	in	ADP
bibechana-74596	173	18	2h7v	2h7v	NUM
bibechana-74596	173	19	is	be	AUX
bibechana-74596	173	20	7	7	NUM
bibechana-74596	173	21	.	.	PUNCT
bibechana-74596	174	1	besides	besides	SCONJ
bibechana-74596	174	2	that	that	PRON
bibechana-74596	174	3	,	,	PUNCT
bibechana-74596	174	4	the	the	DET
bibechana-74596	174	5	bond	bond	NOUN
bibechana-74596	174	6	length	length	NOUN
bibechana-74596	174	7	of	of	ADP
bibechana-74596	174	8	conventional	conventional	ADJ
bibechana-74596	174	9	hydrogen	hydrogen	NOUN
bibechana-74596	174	10	bond	bond	NOUN
bibechana-74596	174	11	in	in	ADP
bibechana-74596	174	12	2p2l	2p2l	NUM
bibechana-74596	174	13	is	be	AUX
bibechana-74596	174	14	less	less	ADJ
bibechana-74596	174	15	than	than	ADP
bibechana-74596	174	16	that	that	PRON
bibechana-74596	174	17	of	of	ADP
bibechana-74596	174	18	2h7v	2h7v	NUM
bibechana-74596	174	19	.	.	PUNCT
bibechana-74596	175	1	so	so	ADV
bibechana-74596	175	2	,	,	PUNCT
bibechana-74596	175	3	former	former	ADJ
bibechana-74596	175	4	is	be	AUX
bibechana-74596	175	5	better	well	ADV
bibechana-74596	175	6	inhibited	inhibit	VERB
bibechana-74596	175	7	by	by	ADP
bibechana-74596	175	8	title	title	NOUN
bibechana-74596	175	9	compound	compound	NOUN
bibechana-74596	175	10	.	.	PUNCT
bibechana-74596	176	1	table	table	NOUN
bibechana-74596	176	2	4	4	NUM
bibechana-74596	176	3	:	:	PUNCT
bibechana-74596	176	4	the	the	DET
bibechana-74596	176	5	conventional	conventional	ADJ
bibechana-74596	176	6	hydrogen	hydrogen	NOUN
bibechana-74596	176	7	bonds	bond	NOUN
bibechana-74596	176	8	,	,	PUNCT
bibechana-74596	176	9	residue	residue	NOUN
bibechana-74596	176	10	of	of	ADP
bibechana-74596	176	11	amino	amino	NOUN
bibechana-74596	176	12	acid	acid	NOUN
bibechana-74596	176	13	,	,	PUNCT
bibechana-74596	176	14	ligand	ligand	NOUN
bibechana-74596	176	15	efficiency	efficiency	NOUN
bibechana-74596	176	16	,	,	PUNCT
bibechana-74596	176	17	inhibition	inhibition	NOUN
bibechana-74596	176	18	constant	constant	ADJ
bibechana-74596	176	19	,	,	PUNCT
bibechana-74596	176	20	and	and	CCONJ
bibechana-74596	176	21	binding	bind	VERB
bibechana-74596	176	22	energy	energy	NOUN
bibechana-74596	176	23	of	of	ADP
bibechana-74596	176	24	gdp	gdp	PROPN
bibechana-74596	176	25	.	.	PROPN
bibechana-74596	176	26	ligand	ligand	PROPN
bibechana-74596	176	27	protein	protein	NOUN
bibechana-74596	176	28	pdb	pdb	PROPN
bibechana-74596	176	29	code	code	NOUN
bibechana-74596	176	30	bond	bond	NOUN
bibechana-74596	176	31	length	length	NOUN
bibechana-74596	176	32	(	(	PUNCT
bibechana-74596	176	33	å	å	NOUN
bibechana-74596	176	34	)	)	PUNCT
bibechana-74596	176	35	binding	bind	VERB
bibechana-74596	176	36	atoms	atom	NOUN
bibechana-74596	176	37	amino	amino	NOUN
bibechana-74596	176	38	acid	acid	NOUN
bibechana-74596	176	39	binding	bind	VERB
bibechana-74596	176	40	energy	energy	NOUN
bibechana-74596	176	41	(	(	PUNCT
bibechana-74596	176	42	kcal	kcal	NOUN
bibechana-74596	176	43	/	/	SYM
bibechana-74596	176	44	mol	mol	NOUN
bibechana-74596	176	45	)	)	PUNCT
bibechana-74596	176	46	inhibition	inhibition	NOUN
bibechana-74596	176	47	constant	constant	ADJ
bibechana-74596	176	48	(	(	PUNCT
bibechana-74596	176	49	µm	µm	NOUN
bibechana-74596	176	50	)	)	PUNCT
bibechana-74596	176	51	ligand	ligand	NOUN
bibechana-74596	176	52	efficiency	efficiency	NOUN
bibechana-74596	176	53	gdp	gdp	NOUN
bibechana-74596	176	54	rac1	rac1	PROPN
bibechana-74596	176	55	2h7v	2h7v	NOUN
bibechana-74596	176	56	2.54	2.54	NUM
bibechana-74596	176	57	o31	o31	NOUN
bibechana-74596	176	58	lys116	lys116	ADV
bibechana-74596	176	59	–	–	PUNCT
bibechana-74596	176	60	7.4	7.4	NUM
bibechana-74596	176	61	3.73	3.73	NUM
bibechana-74596	176	62	0.26	0.26	NUM
bibechana-74596	176	63	2.68	2.68	NUM
bibechana-74596	176	64	o2	o2	PROPN
bibechana-74596	176	65	lys16	lys16	PROPN
bibechana-74596	176	66	2.28	2.28	NUM
bibechana-74596	176	67	o7	o7	PROPN
bibechana-74596	176	68	lys16	lys16	PROPN
bibechana-74596	176	69	2.05	2.05	NUM
bibechana-74596	176	70	o7	o7	PROPN
bibechana-74596	176	71	gly15	gly15	PROPN
bibechana-74596	176	72	2.33	2.33	NUM
bibechana-74596	176	73	o7	o7	PROPN
bibechana-74596	176	74	val14	val14	ADV
bibechana-74596	176	75	2.00	2.00	NUM
bibechana-74596	176	76	o7	o7	PROPN
bibechana-74596	176	77	lys16	lys16	PROPN
bibechana-74596	176	78	2.01	2.01	NUM
bibechana-74596	176	79	o3	o3	PROPN
bibechana-74596	176	80	thr17	thr17	PROPN
bibechana-74596	176	81	gdp	gdp	NOUN
bibechana-74596	176	82	rac1	rac1	PROPN
bibechana-74596	176	83	2p2l	2p2l	NUM
bibechana-74596	176	84	2.16	2.16	NUM
bibechana-74596	176	85	n29	n29	NOUN
bibechana-74596	176	86	ser41	ser41	PROPN
bibechana-74596	176	87	–	–	PUNCT
bibechana-74596	176	88	8.0	8.0	NUM
bibechana-74596	176	89	1.35	1.35	NUM
bibechana-74596	176	90	0.29	0.29	NUM
bibechana-74596	176	91	2.75	2.75	NUM
bibechana-74596	176	92	h34	h34	NOUN
bibechana-74596	176	93	ser41	ser41	PROPN
bibechana-74596	176	94	2.80	2.80	NUM
bibechana-74596	176	95	h34	h34	NOUN
bibechana-74596	176	96	ser41	ser41	PROPN
bibechana-74596	176	97	2.22	2.22	NUM
bibechana-74596	176	98	o2	o2	PROPN
bibechana-74596	176	99	lys16	lys16	PROPN
bibechana-74596	176	100	2.45	2.45	NUM
bibechana-74596	176	101	o2	o2	PROPN
bibechana-74596	176	102	val14	val14	PROPN
bibechana-74596	176	103	2.32	2.32	NUM
bibechana-74596	176	104	o2	o2	PROPN
bibechana-74596	176	105	lys16	lys16	PROPN
bibechana-74596	176	106	1.96	1.96	NUM
bibechana-74596	176	107	o2	o2	PROPN
bibechana-74596	176	108	gly15	gly15	PROPN
bibechana-74596	176	109	1.75	1.75	NUM
bibechana-74596	176	110	o3	o3	PROPN
bibechana-74596	176	111	thr17	thr17	PROPN
bibechana-74596	176	112	2.38	2.38	NUM
bibechana-74596	176	113	o5	o5	PROPN
bibechana-74596	176	114	lys16	lys16	PROPN
bibechana-74596	176	115	2.31	2.31	NUM
bibechana-74596	176	116	o10	o10	NOUN
bibechana-74596	176	117	ala13	ala13	PROPN
bibechana-74596	176	118	manoj	manoj	PROPN
bibechana-74596	176	119	kumar	kumar	PROPN
bibechana-74596	176	120	chaudhary	chaudhary	PROPN
bibechana-74596	176	121	et	et	PROPN
bibechana-74596	177	1	al./	al./	ADV
bibechana-74596	177	2	bibechana	bibechana	PROPN
bibechana-74596	177	3	22	22	NUM
bibechana-74596	177	4	(	(	PUNCT
bibechana-74596	177	5	2025	2025	NUM
bibechana-74596	177	6	)	)	PUNCT
bibechana-74596	177	7	205	205	NUM
bibechana-74596	177	8	-	-	SYM
bibechana-74596	177	9	214	214	NUM
bibechana-74596	177	10	212	212	NUM
bibechana-74596	177	11	figure	figure	NOUN
bibechana-74596	177	12	9	9	NUM
bibechana-74596	177	13	:	:	SYM
bibechana-74596	177	14	2	2	NUM
bibechana-74596	177	15	-	-	PUNCT
bibechana-74596	177	16	d	d	ADJ
bibechana-74596	177	17	ligand	ligand	NOUN
bibechana-74596	177	18	-	-	PUNCT
bibechana-74596	177	19	protein	protein	NOUN
bibechana-74596	177	20	interaction	interaction	NOUN
bibechana-74596	177	21	of	of	ADP
bibechana-74596	177	22	gdp	gdp	NOUN
bibechana-74596	177	23	with	with	ADP
bibechana-74596	177	24	2h7v	2h7v	NUM
bibechana-74596	177	25	and	and	CCONJ
bibechana-74596	177	26	2p2l	2p2l	NUM
bibechana-74596	177	27	pdb	pdb	PROPN
bibechana-74596	177	28	code	code	NOUN
bibechana-74596	177	29	of	of	ADP
bibechana-74596	177	30	protein	protein	NOUN
bibechana-74596	177	31	rac1	rac1	NOUN
bibechana-74596	177	32	.	.	PUNCT
bibechana-74596	178	1	4	4	NUM
bibechana-74596	178	2	conclusion	conclusion	NOUN
bibechana-74596	178	3	the	the	DET
bibechana-74596	178	4	intra	intra	ADJ
bibechana-74596	178	5	-	-	ADJ
bibechana-74596	178	6	molecular	molecular	ADJ
bibechana-74596	178	7	hydrogen	hydrogen	NOUN
bibechana-74596	178	8	bonding	bonding	NOUN
bibechana-74596	178	9	of	of	ADP
bibechana-74596	178	10	gdp	gdp	NOUN
bibechana-74596	178	11	has	have	AUX
bibechana-74596	178	12	been	be	AUX
bibechana-74596	178	13	scrutinized	scrutinize	VERB
bibechana-74596	178	14	from	from	ADP
bibechana-74596	178	15	qtaim	qtaim	NOUN
bibechana-74596	178	16	analysis	analysis	NOUN
bibechana-74596	178	17	and	and	CCONJ
bibechana-74596	178	18	rdg	rdg	VERB
bibechana-74596	178	19	scatter	scatter	NOUN
bibechana-74596	178	20	plot	plot	NOUN
bibechana-74596	178	21	and	and	CCONJ
bibechana-74596	178	22	its	its	PRON
bibechana-74596	178	23	3d	3d	NOUN
bibechana-74596	178	24	-	-	PUNCT
bibechana-74596	178	25	isosurface	isosurface	NOUN
bibechana-74596	178	26	.	.	PUNCT
bibechana-74596	179	1	four	four	NUM
bibechana-74596	179	2	intramolecular	intramolecular	ADJ
bibechana-74596	179	3	hydrogen	hydrogen	NOUN
bibechana-74596	179	4	bonds	bond	NOUN
bibechana-74596	179	5	have	have	AUX
bibechana-74596	179	6	been	be	AUX
bibechana-74596	179	7	identified	identify	VERB
bibechana-74596	179	8	and	and	CCONJ
bibechana-74596	179	9	all	all	PRON
bibechana-74596	179	10	are	be	AUX
bibechana-74596	179	11	partial	partial	ADJ
bibechana-74596	179	12	covalent	covalent	NOUN
bibechana-74596	179	13	in	in	ADP
bibechana-74596	179	14	nature	nature	NOUN
bibechana-74596	179	15	.	.	PUNCT
bibechana-74596	180	1	out	out	ADP
bibechana-74596	180	2	of	of	ADP
bibechana-74596	180	3	them	they	PRON
bibechana-74596	180	4	the	the	DET
bibechana-74596	180	5	intra	intra	ADJ
bibechana-74596	180	6	-	-	ADJ
bibechana-74596	180	7	molecular	molecular	ADJ
bibechana-74596	180	8	hydrogen	hydrogen	NOUN
bibechana-74596	180	9	bond	bond	NOUN
bibechana-74596	180	10	h11	h11	PROPN
bibechana-74596	180	11	...	...	PUNCT
bibechana-74596	180	12	o2	o2	PROPN
bibechana-74596	180	13	is	be	AUX
bibechana-74596	180	14	the	the	DET
bibechana-74596	180	15	strongest	strong	ADJ
bibechana-74596	180	16	as	as	SCONJ
bibechana-74596	180	17	it	it	PRON
bibechana-74596	180	18	has	have	VERB
bibechana-74596	180	19	the	the	DET
bibechana-74596	180	20	smallest	small	ADJ
bibechana-74596	180	21	bond	bond	NOUN
bibechana-74596	180	22	distance	distance	NOUN
bibechana-74596	180	23	1.8134	1.8134	NUM
bibechana-74596	180	24	å	å	NOUN
bibechana-74596	180	25	and	and	CCONJ
bibechana-74596	180	26	the	the	DET
bibechana-74596	180	27	highest	high	ADJ
bibechana-74596	180	28	interaction	interaction	NOUN
bibechana-74596	180	29	energy	energy	NOUN
bibechana-74596	180	30	(	(	PUNCT
bibechana-74596	180	31	8.3114	8.3114	NUM
bibechana-74596	180	32	kcal	kcal	NOUN
bibechana-74596	180	33	/	/	SYM
bibechana-74596	180	34	mol	mol	NOUN
bibechana-74596	180	35	)	)	PUNCT
bibechana-74596	180	36	.	.	PUNCT
bibechana-74596	181	1	the	the	DET
bibechana-74596	181	2	maximum	maximum	ADJ
bibechana-74596	181	3	positive	positive	ADJ
bibechana-74596	181	4	electrostatic	electrostatic	ADJ
bibechana-74596	181	5	potential	potential	ADJ
bibechana-74596	181	6	113.71	113.71	NUM
bibechana-74596	181	7	kcal	kcal	NOUN
bibechana-74596	181	8	/	/	SYM
bibechana-74596	181	9	mol	mol	PROPN
bibechana-74596	181	10	,	,	PUNCT
bibechana-74596	181	11	was	be	AUX
bibechana-74596	181	12	observed	observe	VERB
bibechana-74596	181	13	in	in	ADP
bibechana-74596	181	14	h4	h4	NOUN
bibechana-74596	181	15	,	,	PUNCT
bibechana-74596	181	16	and	and	CCONJ
bibechana-74596	181	17	the	the	DET
bibechana-74596	181	18	maximum	maximum	ADJ
bibechana-74596	181	19	negative	negative	ADJ
bibechana-74596	181	20	potential	potential	NOUN
bibechana-74596	181	21	associated	associate	VERB
bibechana-74596	181	22	with	with	ADP
bibechana-74596	181	23	o31	o31	NOUN
bibechana-74596	181	24	of	of	ADP
bibechana-74596	181	25	gdp	gdp	NOUN
bibechana-74596	181	26	,	,	PUNCT
bibechana-74596	181	27	as	as	SCONJ
bibechana-74596	181	28	predicted	predict	VERB
bibechana-74596	181	29	by	by	ADP
bibechana-74596	181	30	esp	esp	ADJ
bibechana-74596	181	31	analysis	analysis	NOUN
bibechana-74596	181	32	.	.	PUNCT
bibechana-74596	182	1	this	this	DET
bibechana-74596	182	2	analysis	analysis	NOUN
bibechana-74596	182	3	confirms	confirm	VERB
bibechana-74596	182	4	that	that	SCONJ
bibechana-74596	182	5	these	these	DET
bibechana-74596	182	6	sites	site	NOUN
bibechana-74596	182	7	are	be	AUX
bibechana-74596	182	8	favourable	favourable	ADJ
bibechana-74596	182	9	for	for	ADP
bibechana-74596	182	10	intermolecular	intermolecular	ADJ
bibechana-74596	182	11	hydrogen	hydrogen	NOUN
bibechana-74596	182	12	bonding	bonding	NOUN
bibechana-74596	182	13	in	in	ADP
bibechana-74596	182	14	the	the	DET
bibechana-74596	182	15	solid	solid	ADJ
bibechana-74596	182	16	-	-	PUNCT
bibechana-74596	182	17	state	state	NOUN
bibechana-74596	182	18	structure	structure	NOUN
bibechana-74596	182	19	of	of	ADP
bibechana-74596	182	20	the	the	DET
bibechana-74596	182	21	title	title	NOUN
bibechana-74596	182	22	compound	compound	NOUN
bibechana-74596	182	23	as	as	ADV
bibechana-74596	182	24	well	well	ADV
bibechana-74596	182	25	as	as	ADP
bibechana-74596	182	26	in	in	ADP
bibechana-74596	182	27	ligandprotein	ligandprotein	ADJ
bibechana-74596	182	28	interaction	interaction	NOUN
bibechana-74596	182	29	analysis	analysis	NOUN
bibechana-74596	182	30	.	.	PUNCT
bibechana-74596	183	1	the	the	DET
bibechana-74596	183	2	gdp	gdp	NOUN
bibechana-74596	183	3	molecule	molecule	NOUN
bibechana-74596	183	4	has	have	VERB
bibechana-74596	183	5	43	43	NUM
bibechana-74596	183	6	atoms	atom	NOUN
bibechana-74596	183	7	and	and	CCONJ
bibechana-74596	183	8	123	123	NUM
bibechana-74596	183	9	modes	mode	NOUN
bibechana-74596	183	10	of	of	ADP
bibechana-74596	183	11	vibrations	vibration	NOUN
bibechana-74596	183	12	.	.	PUNCT
bibechana-74596	184	1	all	all	DET
bibechana-74596	184	2	the	the	DET
bibechana-74596	184	3	vibrations	vibration	NOUN
bibechana-74596	184	4	are	be	AUX
bibechana-74596	184	5	ir	ir	NOUN
bibechana-74596	184	6	and	and	CCONJ
bibechana-74596	184	7	raman	raman	VERB
bibechana-74596	184	8	active	active	ADJ
bibechana-74596	184	9	.	.	PUNCT
bibechana-74596	185	1	the	the	DET
bibechana-74596	185	2	fingerprint	fingerprint	NOUN
bibechana-74596	185	3	and	and	CCONJ
bibechana-74596	185	4	functional	functional	ADJ
bibechana-74596	185	5	group	group	NOUN
bibechana-74596	185	6	present	present	ADJ
bibechana-74596	185	7	in	in	ADP
bibechana-74596	185	8	the	the	DET
bibechana-74596	185	9	molecule	molecule	NOUN
bibechana-74596	185	10	have	have	AUX
bibechana-74596	185	11	been	be	AUX
bibechana-74596	185	12	explored	explore	VERB
bibechana-74596	185	13	.	.	PUNCT
bibechana-74596	186	1	there	there	PRON
bibechana-74596	186	2	are	be	VERB
bibechana-74596	186	3	significant	significant	ADJ
bibechana-74596	186	4	peaks	peak	NOUN
bibechana-74596	186	5	for	for	ADP
bibechana-74596	186	6	carbonyl	carbonyl	NOUN
bibechana-74596	186	7	group	group	NOUN
bibechana-74596	186	8	(	(	PUNCT
bibechana-74596	186	9	c	c	NOUN
bibechana-74596	186	10	=	=	NOUN
bibechana-74596	186	11	o	o	NOUN
bibechana-74596	186	12	)	)	PUNCT
bibechana-74596	186	13	,	,	PUNCT
bibechana-74596	186	14	amine	amine	ADJ
bibechana-74596	186	15	group	group	NOUN
bibechana-74596	186	16	(	(	PUNCT
bibechana-74596	186	17	-nh2	-nh2	PROPN
bibechana-74596	186	18	)	)	PUNCT
bibechana-74596	186	19	,	,	PUNCT
bibechana-74596	186	20	and	and	CCONJ
bibechana-74596	186	21	hydroxyl	hydroxyl	NOUN
bibechana-74596	186	22	group	group	NOUN
bibechana-74596	186	23	(	(	PUNCT
bibechana-74596	186	24	-oh	-oh	NOUN
bibechana-74596	186	25	)	)	PUNCT
bibechana-74596	186	26	and	and	CCONJ
bibechana-74596	186	27	phosphate	phosphate	ADJ
bibechana-74596	186	28	group	group	NOUN
bibechana-74596	186	29	(	(	PUNCT
bibechana-74596	186	30	po4	po4	PROPN
bibechana-74596	186	31	2-	2-	PROPN
bibechana-74596	186	32	)	)	PUNCT
bibechana-74596	186	33	.	.	PUNCT
bibechana-74596	187	1	it	it	PRON
bibechana-74596	187	2	is	be	AUX
bibechana-74596	187	3	confirmed	confirm	VERB
bibechana-74596	187	4	that	that	SCONJ
bibechana-74596	187	5	these	these	DET
bibechana-74596	187	6	functional	functional	ADJ
bibechana-74596	187	7	groups	group	NOUN
bibechana-74596	187	8	have	have	VERB
bibechana-74596	187	9	prominent	prominent	ADJ
bibechana-74596	187	10	role	role	NOUN
bibechana-74596	187	11	for	for	ADP
bibechana-74596	187	12	intermolecular	intermolecular	ADJ
bibechana-74596	187	13	hydrogen	hydrogen	NOUN
bibechana-74596	187	14	bonding	bonding	NOUN
bibechana-74596	187	15	with	with	ADP
bibechana-74596	187	16	residue	residue	NOUN
bibechana-74596	187	17	of	of	ADP
bibechana-74596	187	18	amino	amino	NOUN
bibechana-74596	187	19	acid	acid	NOUN
bibechana-74596	187	20	which	which	PRON
bibechana-74596	187	21	is	be	AUX
bibechana-74596	187	22	verified	verify	VERB
bibechana-74596	187	23	by	by	ADP
bibechana-74596	187	24	the	the	DET
bibechana-74596	187	25	molecular	molecular	ADJ
bibechana-74596	187	26	docking	docking	NOUN
bibechana-74596	187	27	as	as	ADV
bibechana-74596	187	28	well	well	ADV
bibechana-74596	187	29	as	as	ADP
bibechana-74596	187	30	mulliken	mulliken	NOUN
bibechana-74596	187	31	charge	charge	NOUN
bibechana-74596	187	32	and	and	CCONJ
bibechana-74596	187	33	esp	esp	ADJ
bibechana-74596	187	34	analysis	analysis	NOUN
bibechana-74596	187	35	.	.	PUNCT
bibechana-74596	188	1	uv	uv	NOUN
bibechana-74596	188	2	-	-	PUNCT
bibechana-74596	188	3	vis	vis	X
bibechana-74596	188	4	spectra	spectra	NOUN
bibechana-74596	188	5	analysed	analyse	VERB
bibechana-74596	188	6	that	that	SCONJ
bibechana-74596	188	7	there	there	PRON
bibechana-74596	188	8	are	be	VERB
bibechana-74596	188	9	single	single	ADJ
bibechana-74596	188	10	significant	significant	ADJ
bibechana-74596	188	11	absorbance	absorbance	NOUN
bibechana-74596	188	12	peak	peak	NOUN
bibechana-74596	188	13	at	at	ADP
bibechana-74596	188	14	272	272	NUM
bibechana-74596	188	15	nm	nm	ADJ
bibechana-74596	188	16	wavelength	wavelength	NOUN
bibechana-74596	188	17	which	which	PRON
bibechana-74596	188	18	is	be	AUX
bibechana-74596	188	19	correspond	correspond	ADJ
bibechana-74596	188	20	to	to	ADP
bibechana-74596	188	21	the	the	DET
bibechana-74596	188	22	second	second	ADJ
bibechana-74596	188	23	excited	excited	ADJ
bibechana-74596	188	24	state	state	NOUN
bibechana-74596	188	25	(	(	PUNCT
bibechana-74596	188	26	homo→l+2	homo→l+2	PROPN
bibechana-74596	188	27	(	(	PUNCT
bibechana-74596	188	28	94	94	NUM
bibechana-74596	188	29	%	%	NOUN
bibechana-74596	188	30	)	)	PUNCT
bibechana-74596	188	31	)	)	PUNCT
bibechana-74596	188	32	with	with	ADP
bibechana-74596	188	33	respective	respective	ADJ
bibechana-74596	188	34	excitation	excitation	NOUN
bibechana-74596	188	35	energy	energy	NOUN
bibechana-74596	188	36	and	and	CCONJ
bibechana-74596	188	37	oscillator	oscillator	NOUN
bibechana-74596	188	38	strength	strength	NOUN
bibechana-74596	188	39	4.51ev	4.51ev	PROPN
bibechana-74596	188	40	and	and	CCONJ
bibechana-74596	188	41	0.0237	0.0237	NUM
bibechana-74596	188	42	.	.	PUNCT
bibechana-74596	189	1	this	this	PRON
bibechana-74596	189	2	arises	arise	VERB
bibechana-74596	189	3	due	due	ADP
bibechana-74596	189	4	to	to	ADP
bibechana-74596	189	5	transition	transition	NOUN
bibechana-74596	189	6	of	of	ADP
bibechana-74596	189	7	π	π	PROPN
bibechana-74596	189	8	→	→	SYM
bibechana-74596	189	9	π∗	π∗	PROPN
bibechana-74596	189	10	and	and	CCONJ
bibechana-74596	189	11	η	η	PROPN
bibechana-74596	189	12	→	→	SYM
bibechana-74596	189	13	π∗	π∗	PROPN
bibechana-74596	189	14	electrons	electron	NOUN
bibechana-74596	189	15	.	.	PUNCT
bibechana-74596	190	1	mulliken	mulliken	NOUN
bibechana-74596	190	2	charge	charge	NOUN
bibechana-74596	190	3	analysis	analysis	NOUN
bibechana-74596	190	4	confirmed	confirm	VERB
bibechana-74596	190	5	that	that	SCONJ
bibechana-74596	190	6	the	the	DET
bibechana-74596	190	7	atoms	atom	NOUN
bibechana-74596	190	8	o2	o2	PROPN
bibechana-74596	190	9	,	,	PUNCT
bibechana-74596	190	10	o5	o5	PROPN
bibechana-74596	190	11	,	,	PUNCT
bibechana-74596	190	12	o7	o7	PROPN
bibechana-74596	190	13	,	,	PUNCT
bibechana-74596	190	14	c17	c17	NOUN
bibechana-74596	190	15	,	,	PUNCT
bibechana-74596	190	16	n29	n29	NOUN
bibechana-74596	190	17	,	,	PUNCT
bibechana-74596	190	18	c30	c30	PROPN
bibechana-74596	190	19	,	,	PUNCT
bibechana-74596	190	20	and	and	CCONJ
bibechana-74596	190	21	o31	o31	NOUN
bibechana-74596	190	22	have	have	VERB
bibechana-74596	190	23	negative	negative	ADJ
bibechana-74596	190	24	charge	charge	NOUN
bibechana-74596	190	25	and	and	CCONJ
bibechana-74596	190	26	the	the	DET
bibechana-74596	190	27	atoms	atom	NOUN
bibechana-74596	190	28	p6	p6	PROPN
bibechana-74596	190	29	,	,	PUNCT
bibechana-74596	190	30	n18	n18	PROPN
bibechana-74596	190	31	and	and	CCONJ
bibechana-74596	190	32	c19	c19	NOUN
bibechana-74596	190	33	have	have	VERB
bibechana-74596	190	34	positive	positive	ADJ
bibechana-74596	190	35	charge	charge	NOUN
bibechana-74596	190	36	.	.	PUNCT
bibechana-74596	191	1	these	these	DET
bibechana-74596	191	2	charges	charge	NOUN
bibechana-74596	191	3	take	take	VERB
bibechana-74596	191	4	part	part	NOUN
bibechana-74596	191	5	in	in	ADP
bibechana-74596	191	6	ligand	ligand	NOUN
bibechana-74596	191	7	-	-	PUNCT
bibechana-74596	191	8	protein	protein	NOUN
bibechana-74596	191	9	interaction	interaction	NOUN
bibechana-74596	191	10	which	which	PRON
bibechana-74596	191	11	is	be	AUX
bibechana-74596	191	12	explored	explore	VERB
bibechana-74596	191	13	from	from	ADP
bibechana-74596	191	14	molecular	molecular	ADJ
bibechana-74596	191	15	docking	docking	NOUN
bibechana-74596	191	16	.	.	PUNCT
bibechana-74596	192	1	the	the	DET
bibechana-74596	192	2	protein	protein	NOUN
bibechana-74596	192	3	2p2l	2p2l	NUM
bibechana-74596	192	4	has	have	VERB
bibechana-74596	192	5	more	more	ADV
bibechana-74596	192	6	binding	binding	ADJ
bibechana-74596	192	7	affinity	affinity	NOUN
bibechana-74596	192	8	than	than	ADP
bibechana-74596	192	9	2h7v	2h7v	NUM
bibechana-74596	192	10	protein	protein	NOUN
bibechana-74596	192	11	of	of	ADP
bibechana-74596	192	12	rac1	rac1	PROPN
bibechana-74596	192	13	.	.	PUNCT
bibechana-74596	193	1	author	author	NOUN
bibechana-74596	193	2	contribution	contribution	PROPN
bibechana-74596	193	3	m.k	m.k	PROPN
bibechana-74596	193	4	.	.	PUNCT
bibechana-74596	193	5	chaudhary	chaudhary	PROPN
bibechana-74596	193	6	:	:	PUNCT
bibechana-74596	193	7	conceptualization	conceptualization	NOUN
bibechana-74596	193	8	of	of	ADP
bibechana-74596	193	9	research	research	NOUN
bibechana-74596	193	10	activity	activity	NOUN
bibechana-74596	193	11	,	,	PUNCT
bibechana-74596	193	12	data	data	VERB
bibechana-74596	193	13	analysis	analysis	NOUN
bibechana-74596	193	14	and	and	CCONJ
bibechana-74596	193	15	manuscript	manuscript	NOUN
bibechana-74596	193	16	writing	writing	NOUN
bibechana-74596	193	17	;	;	PUNCT
bibechana-74596	193	18	t.	t.	PROPN
bibechana-74596	193	19	chaudhary	chaudhary	PROPN
bibechana-74596	193	20	:	:	PUNCT
bibechana-74596	193	21	analysis	analysis	NOUN
bibechana-74596	193	22	,	,	PUNCT
bibechana-74596	193	23	and	and	CCONJ
bibechana-74596	193	24	drafting	drafting	NOUN
bibechana-74596	193	25	;	;	PUNCT
bibechana-74596	193	26	g.s	g.s	PROPN
bibechana-74596	193	27	.	.	PROPN
bibechana-74596	193	28	verma	verma	PROPN
bibechana-74596	193	29	:	:	PUNCT
bibechana-74596	193	30	data	datum	NOUN
bibechana-74596	193	31	calculation	calculation	NOUN
bibechana-74596	193	32	;	;	PUNCT
bibechana-74596	193	33	t.r	t.r	PROPN
bibechana-74596	193	34	.	.	PROPN
bibechana-74596	193	35	paneru	paneru	PROPN
bibechana-74596	193	36	:	:	PUNCT
bibechana-74596	193	37	supervision	supervision	NOUN
bibechana-74596	193	38	,	,	PUNCT
bibechana-74596	193	39	writing	writing	NOUN
bibechana-74596	193	40	and	and	CCONJ
bibechana-74596	193	41	editing	editing	NOUN
bibechana-74596	193	42	;	;	PUNCT
bibechana-74596	193	43	b.d	b.d	PROPN
bibechana-74596	193	44	.	.	PROPN
bibechana-74596	193	45	joshi	joshi	PROPN
bibechana-74596	193	46	:	:	PUNCT
bibechana-74596	193	47	proofreading	proofreading	NOUN
bibechana-74596	193	48	and	and	CCONJ
bibechana-74596	193	49	editing	editing	NOUN
bibechana-74596	193	50	and	and	CCONJ
bibechana-74596	193	51	r.	r.	PROPN
bibechana-74596	193	52	k.	k.	PROPN
bibechana-74596	193	53	shukla	shukla	PROPN
bibechana-74596	193	54	:	:	PUNCT
bibechana-74596	193	55	proofreading	proofreading	NOUN
bibechana-74596	193	56	and	and	CCONJ
bibechana-74596	193	57	editing	editing	NOUN
bibechana-74596	193	58	.	.	PUNCT
bibechana-74596	194	1	declarations	declaration	NOUN
bibechana-74596	194	2	conflict	conflict	NOUN
bibechana-74596	194	3	of	of	ADP
bibechana-74596	194	4	interest	interest	NOUN
bibechana-74596	194	5	the	the	DET
bibechana-74596	194	6	authors	author	NOUN
bibechana-74596	194	7	declare	declare	VERB
bibechana-74596	194	8	no	no	DET
bibechana-74596	194	9	competing	compete	VERB
bibechana-74596	194	10	interests	interest	NOUN
bibechana-74596	194	11	.	.	PUNCT
bibechana-74596	195	1	references	reference	NOUN
bibechana-74596	195	2	[	[	X
bibechana-74596	195	3	1	1	NUM
bibechana-74596	195	4	]	]	PUNCT
bibechana-74596	195	5	l.	l.	PROPN
bibechana-74596	195	6	e.	e.	PROPN
bibechana-74596	195	7	b.	b.	PROPN
bibechana-74596	195	8	bettio	bettio	PROPN
bibechana-74596	195	9	,	,	PUNCT
bibechana-74596	195	10	j.	j.	PROPN
bibechana-74596	195	11	gil	gil	PROPN
bibechana-74596	195	12	-	-	PUNCT
bibechana-74596	195	13	mohapel	mohapel	PROPN
bibechana-74596	195	14	,	,	PUNCT
bibechana-74596	195	15	and	and	CCONJ
bibechana-74596	195	16	a.	a.	PROPN
bibechana-74596	195	17	l.	l.	PROPN
bibechana-74596	195	18	s.	s.	PROPN
bibechana-74596	195	19	rodrigues	rodrigues	PROPN
bibechana-74596	195	20	.	.	PUNCT
bibechana-74596	196	1	guanosine	guanosine	PROPN
bibechana-74596	196	2	and	and	CCONJ
bibechana-74596	196	3	its	its	PRON
bibechana-74596	196	4	role	role	NOUN
bibechana-74596	196	5	in	in	ADP
bibechana-74596	196	6	neuropathologies	neuropathologie	NOUN
bibechana-74596	196	7	.	.	PUNCT
bibechana-74596	197	1	purinergic	purinergic	NOUN
bibechana-74596	197	2	signalling	signal	VERB
bibechana-74596	197	3	,	,	PUNCT
bibechana-74596	197	4	12:411	12:411	NUM
bibechana-74596	197	5	–	–	PUNCT
bibechana-74596	197	6	426	426	NUM
bibechana-74596	197	7	,	,	PUNCT
bibechana-74596	197	8	2016	2016	NUM
bibechana-74596	197	9	.	.	PUNCT
bibechana-74596	198	1	[	[	X
bibechana-74596	198	2	2	2	NUM
bibechana-74596	198	3	]	]	PUNCT
bibechana-74596	198	4	m.	m.	NOUN
bibechana-74596	198	5	rathbone	rathbone	PROPN
bibechana-74596	198	6	,	,	PUNCT
bibechana-74596	198	7	l.	l.	PROPN
bibechana-74596	198	8	pilutti	pilutti	PROPN
bibechana-74596	198	9	,	,	PUNCT
bibechana-74596	198	10	f.	f.	PROPN
bibechana-74596	198	11	caciagli	caciagli	PROPN
bibechana-74596	198	12	,	,	PUNCT
bibechana-74596	198	13	and	and	CCONJ
bibechana-74596	198	14	s.	s.	PROPN
bibechana-74596	198	15	jiang	jiang	PROPN
bibechana-74596	198	16	.	.	PUNCT
bibechana-74596	199	1	neurotrophic	neurotrophic	ADJ
bibechana-74596	199	2	effects	effect	NOUN
bibechana-74596	199	3	of	of	ADP
bibechana-74596	199	4	extracellular	extracellular	ADJ
bibechana-74596	199	5	guanosine	guanosine	NOUN
bibechana-74596	199	6	.	.	PUNCT
bibechana-74596	200	1	nucleosides	nucleoside	NOUN
bibechana-74596	200	2	,	,	PUNCT
bibechana-74596	200	3	nucleotides	nucleotide	NOUN
bibechana-74596	200	4	and	and	CCONJ
bibechana-74596	200	5	nucleic	nucleic	ADJ
bibechana-74596	200	6	acids	acid	NOUN
bibechana-74596	200	7	,	,	PUNCT
bibechana-74596	200	8	27:666–672	27:666–672	NUM
bibechana-74596	200	9	,	,	PUNCT
bibechana-74596	200	10	2008	2008	NUM
bibechana-74596	200	11	.	.	PUNCT
bibechana-74596	201	1	[	[	X
bibechana-74596	201	2	3	3	X
bibechana-74596	201	3	]	]	PUNCT
bibechana-74596	201	4	l.	l.	PROPN
bibechana-74596	201	5	j.	j.	PROPN
bibechana-74596	201	6	crane	crane	PROPN
bibechana-74596	201	7	and	and	CCONJ
bibechana-74596	201	8	d.	d.	PROPN
bibechana-74596	201	9	l.	l.	PROPN
bibechana-74596	201	10	miller	miller	PROPN
bibechana-74596	201	11	.	.	PUNCT
bibechana-74596	201	12	guanosine	guanosine	NOUN
bibechana-74596	201	13	triphosphate	triphosphate	NOUN
bibechana-74596	201	14	and	and	CCONJ
bibechana-74596	201	15	guanosine	guanosine	NOUN
bibechana-74596	201	16	diphosphate	diphosphate	NOUN
bibechana-74596	201	17	as	as	ADP
bibechana-74596	201	18	conformation	conformation	NOUN
bibechana-74596	201	19	-	-	PUNCT
bibechana-74596	201	20	determining	determine	VERB
bibechana-74596	201	21	molecules	molecule	NOUN
bibechana-74596	201	22	.	.	PUNCT
bibechana-74596	202	1	differential	differential	ADJ
bibechana-74596	202	2	interaction	interaction	NOUN
bibechana-74596	202	3	of	of	ADP
bibechana-74596	202	4	a	a	DET
bibechana-74596	202	5	fluorescent	fluorescent	ADJ
bibechana-74596	202	6	probe	probe	NOUN
bibechana-74596	202	7	with	with	ADP
bibechana-74596	202	8	the	the	DET
bibechana-74596	202	9	guanosine	guanosine	ADJ
bibechana-74596	202	10	nucleotide	nucleotide	NOUN
bibechana-74596	202	11	complexes	complex	NOUN
bibechana-74596	202	12	of	of	ADP
bibechana-74596	202	13	bacterial	bacterial	ADJ
bibechana-74596	202	14	elongation	elongation	NOUN
bibechana-74596	202	15	factor	factor	NOUN
bibechana-74596	202	16	tu	tu	PROPN
bibechana-74596	202	17	.	.	PROPN
bibechana-74596	202	18	biochemistry	biochemistry	PROPN
bibechana-74596	202	19	,	,	PUNCT
bibechana-74596	202	20	13(5):933	13(5):933	NUM
bibechana-74596	202	21	–	–	PUNCT
bibechana-74596	202	22	939	939	NUM
bibechana-74596	202	23	,	,	PUNCT
bibechana-74596	202	24	1974	1974	NUM
bibechana-74596	202	25	.	.	PUNCT
bibechana-74596	203	1	[	[	X
bibechana-74596	203	2	4	4	X
bibechana-74596	203	3	]	]	PUNCT
bibechana-74596	203	4	f.	f.	PROPN
bibechana-74596	203	5	a.	a.	PROPN
bibechana-74596	203	6	vaccaro	vaccaro	PROPN
bibechana-74596	203	7	,	,	PUNCT
bibechana-74596	203	8	d.	d.	PROPN
bibechana-74596	203	9	a.	a.	PROPN
bibechana-74596	203	10	faber	faber	PROPN
bibechana-74596	203	11	,	,	PUNCT
bibechana-74596	203	12	g.	g.	PROPN
bibechana-74596	203	13	a.	a.	PROPN
bibechana-74596	203	14	andree	andree	PROPN
bibechana-74596	203	15	,	,	PUNCT
bibechana-74596	203	16	d.	d.	PROPN
bibechana-74596	203	17	a.	a.	PROPN
bibechana-74596	203	18	born	bear	VERB
bibechana-74596	203	19	,	,	PUNCT
bibechana-74596	203	20	g.	g.	PROPN
bibechana-74596	203	21	kang	kang	PROPN
bibechana-74596	203	22	,	,	PUNCT
bibechana-74596	203	23	d.	d.	PROPN
bibechana-74596	203	24	r.	r.	PROPN
bibechana-74596	203	25	fonseca	fonseca	PROPN
bibechana-74596	203	26	,	,	PUNCT
bibechana-74596	203	27	m.	m.	NOUN
bibechana-74596	203	28	jost	jost	PROPN
bibechana-74596	203	29	,	,	PUNCT
bibechana-74596	203	30	and	and	CCONJ
bibechana-74596	203	31	c.	c.	PROPN
bibechana-74596	203	32	l.	l.	PROPN
bibechana-74596	203	33	drennan	drennan	PROPN
bibechana-74596	203	34	.	.	PUNCT
bibechana-74596	204	1	structural	structural	ADJ
bibechana-74596	204	2	insight	insight	NOUN
bibechana-74596	204	3	into	into	ADP
bibechana-74596	204	4	g	g	NOUN
bibechana-74596	204	5	-	-	PUNCT
bibechana-74596	204	6	protein	protein	NOUN
bibechana-74596	204	7	chaperone	chaperone	NOUN
bibechana-74596	204	8	-	-	PUNCT
bibechana-74596	204	9	mediated	mediate	VERB
bibechana-74596	204	10	maturation	maturation	NOUN
bibechana-74596	204	11	of	of	ADP
bibechana-74596	204	12	a	a	DET
bibechana-74596	204	13	bacterial	bacterial	ADJ
bibechana-74596	204	14	adenosylcobalamin	adenosylcobalamin	ADJ
bibechana-74596	204	15	-	-	PUNCT
bibechana-74596	204	16	dependent	dependent	ADJ
bibechana-74596	204	17	mutase	mutase	NOUN
bibechana-74596	204	18	.	.	PUNCT
bibechana-74596	205	1	j.	j.	PROPN
bibechana-74596	205	2	biol	biol	PROPN
bibechana-74596	205	3	.	.	PUNCT
bibechana-74596	206	1	chem	chem	PROPN
bibechana-74596	206	2	.	.	PUNCT
bibechana-74596	206	3	,	,	PUNCT
bibechana-74596	206	4	299(9	299(9	NUM
bibechana-74596	206	5	)	)	PUNCT
bibechana-74596	206	6	,	,	PUNCT
bibechana-74596	206	7	2023	2023	NUM
bibechana-74596	206	8	.	.	PUNCT
bibechana-74596	207	1	[	[	X
bibechana-74596	207	2	5	5	X
bibechana-74596	207	3	]	]	PUNCT
bibechana-74596	207	4	h.	h.	PROPN
bibechana-74596	207	5	y.	y.	PROPN
bibechana-74596	207	6	bao	bao	PROPN
bibechana-74596	207	7	,	,	PUNCT
bibechana-74596	207	8	w.	w.	PROPN
bibechana-74596	207	9	wang	wang	PROPN
bibechana-74596	207	10	,	,	PUNCT
bibechana-74596	207	11	h.	h.	PROPN
bibechana-74596	207	12	b.	b.	PROPN
bibechana-74596	207	13	sun	sun	PROPN
bibechana-74596	207	14	,	,	PUNCT
bibechana-74596	207	15	and	and	CCONJ
bibechana-74596	207	16	j.	j.	PROPN
bibechana-74596	207	17	z.	z.	PROPN
bibechana-74596	207	18	chen	chen	PROPN
bibechana-74596	207	19	.	.	PUNCT
bibechana-74596	208	1	binding	bind	VERB
bibechana-74596	208	2	modes	mode	NOUN
bibechana-74596	208	3	of	of	ADP
bibechana-74596	208	4	gdp	gdp	PROPN
bibechana-74596	208	5	,	,	PUNCT
bibechana-74596	208	6	gtp	gtp	PROPN
bibechana-74596	208	7	and	and	CCONJ
bibechana-74596	208	8	gnp	gnp	PROPN
bibechana-74596	208	9	to	to	ADP
bibechana-74596	208	10	nras	nras	PROPN
bibechana-74596	208	11	deciphered	decipher	VERB
bibechana-74596	208	12	by	by	ADP
bibechana-74596	208	13	using	use	VERB
bibechana-74596	208	14	gaussian	gaussian	NOUN
bibechana-74596	208	15	accelerated	accelerate	VERB
bibechana-74596	208	16	molecular	molecular	ADJ
bibechana-74596	208	17	dynamics	dynamic	NOUN
bibechana-74596	208	18	simulations	simulation	NOUN
bibechana-74596	208	19	.	.	PUNCT
bibechana-74596	209	1	sar	sar	NOUN
bibechana-74596	209	2	and	and	CCONJ
bibechana-74596	209	3	qsar	qsar	VERB
bibechana-74596	209	4	in	in	ADP
bibechana-74596	209	5	environmental	environmental	ADJ
bibechana-74596	209	6	research	research	NOUN
bibechana-74596	209	7	,	,	PUNCT
bibechana-74596	209	8	34(1):65	34(1):65	NUM
bibechana-74596	209	9	–	–	PUNCT
bibechana-74596	209	10	89	89	NUM
bibechana-74596	209	11	,	,	PUNCT
bibechana-74596	209	12	2023	2023	NUM
bibechana-74596	209	13	.	.	PUNCT
bibechana-74596	210	1	[	[	X
bibechana-74596	210	2	6	6	NUM
bibechana-74596	210	3	]	]	PUNCT
bibechana-74596	210	4	g.	g.	NOUN
bibechana-74596	210	5	rehna	rehna	PROPN
bibechana-74596	210	6	,	,	PUNCT
bibechana-74596	210	7	m.	m.	NOUN
bibechana-74596	210	8	i.	i.	PROPN
bibechana-74596	210	9	ivanov	ivanov	PROPN
bibechana-74596	210	10	,	,	PUNCT
bibechana-74596	210	11	j.	j.	PROPN
bibechana-74596	210	12	b.	b.	PROPN
bibechana-74596	210	13	bliska	bliska	PROPN
bibechana-74596	210	14	,	,	PUNCT
bibechana-74596	210	15	and	and	CCONJ
bibechana-74596	210	16	c.	c.	PROPN
bibechana-74596	210	17	e.	e.	PROPN
bibechana-74596	210	18	stebbins	stebbins	PROPN
bibechana-74596	210	19	.	.	PUNCT
bibechana-74596	211	1	yersinia	yersinia	PROPN
bibechana-74596	211	2	virulence	virulence	NOUN
bibechana-74596	211	3	depends	depend	VERB
bibechana-74596	211	4	on	on	ADP
bibechana-74596	211	5	mimicry	mimicry	NOUN
bibechana-74596	211	6	of	of	ADP
bibechana-74596	211	7	host	host	NOUN
bibechana-74596	211	8	rho	rho	ADJ
bibechana-74596	211	9	-	-	PUNCT
bibechana-74596	211	10	family	family	NOUN
bibechana-74596	211	11	nucleotide	nucleotide	NOUN
bibechana-74596	211	12	dissociation	dissociation	NOUN
bibechana-74596	211	13	inhibitors	inhibitor	NOUN
bibechana-74596	211	14	.	.	PUNCT
bibechana-74596	212	1	cell	cell	NOUN
bibechana-74596	212	2	,	,	PUNCT
bibechana-74596	212	3	126(5):869–880	126(5):869–880	PROPN
bibechana-74596	212	4	,	,	PUNCT
bibechana-74596	212	5	2006	2006	NUM
bibechana-74596	212	6	.	.	PUNCT
bibechana-74596	213	1	[	[	X
bibechana-74596	213	2	7	7	X
bibechana-74596	213	3	]	]	X
bibechana-74596	213	4	m.	m.	NOUN
bibechana-74596	213	5	j.	j.	PROPN
bibechana-74596	213	6	frisch	frisch	PROPN
bibechana-74596	213	7	,	,	PUNCT
bibechana-74596	213	8	g.	g.	PROPN
bibechana-74596	213	9	w.	w.	PROPN
bibechana-74596	213	10	trucks	trucks	PROPN
bibechana-74596	213	11	,	,	PUNCT
bibechana-74596	213	12	h.	h.	PROPN
bibechana-74596	213	13	b.	b.	PROPN
bibechana-74596	213	14	schlegel	schlegel	PROPN
bibechana-74596	213	15	,	,	PUNCT
bibechana-74596	213	16	g.	g.	PROPN
bibechana-74596	213	17	e.	e.	PROPN
bibechana-74596	213	18	scuseria	scuseria	PROPN
bibechana-74596	213	19	,	,	PUNCT
bibechana-74596	213	20	m.	m.	NOUN
bibechana-74596	213	21	a.	a.	NOUN
bibechana-74596	213	22	robb	robb	PROPN
bibechana-74596	213	23	,	,	PUNCT
bibechana-74596	213	24	j.	j.	PROPN
bibechana-74596	213	25	r.	r.	PROPN
bibechana-74596	213	26	cheeseman	cheeseman	PROPN
bibechana-74596	213	27	,	,	PUNCT
bibechana-74596	213	28	g.	g.	PROPN
bibechana-74596	213	29	scalmani	scalmani	PROPN
bibechana-74596	213	30	,	,	PUNCT
bibechana-74596	213	31	v.	v.	PROPN
bibechana-74596	213	32	barone	barone	PROPN
bibechana-74596	213	33	,	,	PUNCT
bibechana-74596	213	34	b.	b.	PROPN
bibechana-74596	213	35	mennucci	mennucci	PROPN
bibechana-74596	213	36	,	,	PUNCT
bibechana-74596	213	37	g.	g.	PROPN
bibechana-74596	213	38	a.	a.	PROPN
bibechana-74596	213	39	petersson	petersson	PROPN
bibechana-74596	213	40	,	,	PUNCT
bibechana-74596	213	41	h.	h.	PROPN
bibechana-74596	213	42	nakatsuji	nakatsuji	PROPN
bibechana-74596	213	43	,	,	PUNCT
bibechana-74596	213	44	m.	m.	NOUN
bibechana-74596	213	45	caricato	caricato	PROPN
bibechana-74596	213	46	,	,	PUNCT
bibechana-74596	213	47	x.	x.	PROPN
bibechana-74596	213	48	li	li	PROPN
bibechana-74596	213	49	,	,	PUNCT
bibechana-74596	213	50	h.	h.	PROPN
bibechana-74596	213	51	p.	p.	PROPN
bibechana-74596	213	52	hratchian	hratchian	PROPN
bibechana-74596	213	53	,	,	PUNCT
bibechana-74596	213	54	a.	a.	PROPN
bibechana-74596	213	55	f.	f.	PROPN
bibechana-74596	213	56	izmaylov	izmaylov	PROPN
bibechana-74596	213	57	,	,	PUNCT
bibechana-74596	213	58	j.	j.	PROPN
bibechana-74596	213	59	bloino	bloino	PROPN
bibechana-74596	213	60	,	,	PUNCT
bibechana-74596	213	61	g.	g.	PROPN
bibechana-74596	213	62	zheng	zheng	PROPN
bibechana-74596	213	63	,	,	PUNCT
bibechana-74596	213	64	j.	j.	PROPN
bibechana-74596	213	65	l.	l.	PROPN
bibechana-74596	213	66	sonnenberg	sonnenberg	PROPN
bibechana-74596	213	67	,	,	PUNCT
bibechana-74596	213	68	m.	m.	PROPN
bibechana-74596	213	69	hada	hada	PROPN
bibechana-74596	213	70	,	,	PUNCT
bibechana-74596	213	71	m.	m.	NOUN
bibechana-74596	213	72	ehara	ehara	PROPN
bibechana-74596	213	73	,	,	PUNCT
bibechana-74596	213	74	k.	k.	PROPN
bibechana-74596	213	75	toyota	toyota	PROPN
bibechana-74596	213	76	,	,	PUNCT
bibechana-74596	213	77	manoj	manoj	PROPN
bibechana-74596	213	78	kumar	kumar	PROPN
bibechana-74596	213	79	chaudhary	chaudhary	PROPN
bibechana-74596	213	80	et	et	PROPN
bibechana-74596	214	1	al./	al./	ADV
bibechana-74596	214	2	bibechana	bibechana	PROPN
bibechana-74596	214	3	22	22	NUM
bibechana-74596	214	4	(	(	PUNCT
bibechana-74596	214	5	2025	2025	NUM
bibechana-74596	214	6	)	)	PUNCT
bibechana-74596	214	7	205	205	NUM
bibechana-74596	214	8	-	-	SYM
bibechana-74596	214	9	214	214	NUM
bibechana-74596	214	10	213	213	NUM
bibechana-74596	214	11	r.	r.	PROPN
bibechana-74596	214	12	fukuda	fukuda	PROPN
bibechana-74596	214	13	,	,	PUNCT
bibechana-74596	214	14	j.	j.	PROPN
bibechana-74596	214	15	hasegawa	hasegawa	PROPN
bibechana-74596	214	16	,	,	PUNCT
bibechana-74596	214	17	m.	m.	PROPN
bibechana-74596	214	18	ishida	ishida	PROPN
bibechana-74596	214	19	,	,	PUNCT
bibechana-74596	214	20	t.	t.	PROPN
bibechana-74596	214	21	nakajima	nakajima	PROPN
bibechana-74596	214	22	,	,	PUNCT
bibechana-74596	214	23	y.	y.	PROPN
bibechana-74596	214	24	honda	honda	PROPN
bibechana-74596	214	25	,	,	PUNCT
bibechana-74596	214	26	o.	o.	PROPN
bibechana-74596	214	27	kitao	kitao	PROPN
bibechana-74596	214	28	,	,	PUNCT
bibechana-74596	214	29	h.	h.	PROPN
bibechana-74596	214	30	nakai	nakai	PROPN
bibechana-74596	214	31	,	,	PUNCT
bibechana-74596	214	32	t.	t.	PROPN
bibechana-74596	214	33	vreven	vreven	PROPN
bibechana-74596	214	34	,	,	PUNCT
bibechana-74596	214	35	j.	j.	PROPN
bibechana-74596	214	36	a.	a.	PROPN
bibechana-74596	214	37	montgomery	montgomery	PROPN
bibechana-74596	214	38	,	,	PUNCT
bibechana-74596	214	39	j.	j.	PROPN
bibechana-74596	214	40	e.	e.	PROPN
bibechana-74596	214	41	peralta	peralta	PROPN
bibechana-74596	214	42	,	,	PUNCT
bibechana-74596	214	43	f.	f.	PROPN
bibechana-74596	214	44	ogliaro	ogliaro	PROPN
bibechana-74596	214	45	,	,	PUNCT
bibechana-74596	214	46	m.	m.	NOUN
bibechana-74596	214	47	bearpark	bearpark	PROPN
bibechana-74596	214	48	,	,	PUNCT
bibechana-74596	214	49	j.	j.	PROPN
bibechana-74596	214	50	j.	j.	PROPN
bibechana-74596	214	51	heyd	heyd	PROPN
bibechana-74596	214	52	,	,	PUNCT
bibechana-74596	214	53	e.	e.	PROPN
bibechana-74596	214	54	brothers	brothers	PROPN
bibechana-74596	214	55	,	,	PUNCT
bibechana-74596	214	56	k.	k.	PROPN
bibechana-74596	214	57	n.	n.	PROPN
bibechana-74596	214	58	kudin	kudin	PROPN
bibechana-74596	214	59	,	,	PUNCT
bibechana-74596	214	60	v.	v.	CCONJ
bibechana-74596	214	61	n.	n.	PROPN
bibechana-74596	214	62	staroverov	staroverov	PROPN
bibechana-74596	214	63	,	,	PUNCT
bibechana-74596	214	64	r.	r.	PROPN
bibechana-74596	214	65	kobayashi	kobayashi	PROPN
bibechana-74596	214	66	,	,	PUNCT
bibechana-74596	214	67	j.	j.	PROPN
bibechana-74596	214	68	normand	normand	PROPN
bibechana-74596	214	69	,	,	PUNCT
bibechana-74596	214	70	k.	k.	PROPN
bibechana-74596	214	71	raghavachari	raghavachari	PROPN
bibechana-74596	214	72	,	,	PUNCT
bibechana-74596	214	73	a.	a.	NOUN
bibechana-74596	214	74	rendell	rendell	PROPN
bibechana-74596	214	75	,	,	PUNCT
bibechana-74596	214	76	j.	j.	PROPN
bibechana-74596	214	77	c.	c.	PROPN
bibechana-74596	214	78	burant	burant	PROPN
bibechana-74596	214	79	,	,	PUNCT
bibechana-74596	214	80	s.	s.	PROPN
bibechana-74596	214	81	s.	s.	PROPN
bibechana-74596	214	82	iyengar	iyengar	PROPN
bibechana-74596	214	83	,	,	PUNCT
bibechana-74596	214	84	j.	j.	PROPN
bibechana-74596	214	85	tomasi	tomasi	PROPN
bibechana-74596	214	86	,	,	PUNCT
bibechana-74596	214	87	m.	m.	NOUN
bibechana-74596	214	88	cossi	cossi	PROPN
bibechana-74596	214	89	,	,	PUNCT
bibechana-74596	214	90	n.	n.	PROPN
bibechana-74596	214	91	rega	rega	PROPN
bibechana-74596	214	92	,	,	PUNCT
bibechana-74596	214	93	j.	j.	PROPN
bibechana-74596	214	94	m.	m.	PROPN
bibechana-74596	214	95	millam	millam	PROPN
bibechana-74596	214	96	,	,	PUNCT
bibechana-74596	214	97	m.	m.	NOUN
bibechana-74596	214	98	klene	klene	PROPN
bibechana-74596	214	99	,	,	PUNCT
bibechana-74596	214	100	j.	j.	PROPN
bibechana-74596	214	101	e.	e.	PROPN
bibechana-74596	214	102	knox	knox	PROPN
bibechana-74596	214	103	,	,	PUNCT
bibechana-74596	214	104	j.	j.	PROPN
bibechana-74596	214	105	b.	b.	PROPN
bibechana-74596	214	106	cross	cross	PROPN
bibechana-74596	214	107	,	,	PUNCT
bibechana-74596	214	108	v.	v.	PROPN
bibechana-74596	214	109	bakken	bakken	PROPN
bibechana-74596	214	110	,	,	PUNCT
bibechana-74596	214	111	c.	c.	PROPN
bibechana-74596	214	112	adamo	adamo	PROPN
bibechana-74596	214	113	,	,	PUNCT
bibechana-74596	214	114	j.	j.	PROPN
bibechana-74596	214	115	jaramillo	jaramillo	PROPN
bibechana-74596	214	116	,	,	PUNCT
bibechana-74596	214	117	r.	r.	PROPN
bibechana-74596	214	118	gomperts	gomperts	PROPN
bibechana-74596	214	119	,	,	PUNCT
bibechana-74596	214	120	r.	r.	PROPN
bibechana-74596	214	121	e.	e.	PROPN
bibechana-74596	214	122	stratmann	stratmann	PROPN
bibechana-74596	214	123	,	,	PUNCT
bibechana-74596	214	124	o.	o.	PROPN
bibechana-74596	214	125	yazyev	yazyev	PROPN
bibechana-74596	214	126	,	,	PUNCT
bibechana-74596	214	127	a.	a.	PROPN
bibechana-74596	214	128	j.	j.	PROPN
bibechana-74596	214	129	austin	austin	PROPN
bibechana-74596	214	130	,	,	PUNCT
bibechana-74596	214	131	r.	r.	PROPN
bibechana-74596	214	132	cammi	cammi	PROPN
bibechana-74596	214	133	,	,	PUNCT
bibechana-74596	214	134	c.	c.	PROPN
bibechana-74596	214	135	pomelli	pomelli	PROPN
bibechana-74596	214	136	,	,	PUNCT
bibechana-74596	214	137	j.	j.	PROPN
bibechana-74596	214	138	w.	w.	PROPN
bibechana-74596	214	139	ochterski	ochterski	PROPN
bibechana-74596	214	140	,	,	PUNCT
bibechana-74596	214	141	r.	r.	PROPN
bibechana-74596	214	142	l.	l.	PROPN
bibechana-74596	214	143	martin	martin	PROPN
bibechana-74596	214	144	,	,	PUNCT
bibechana-74596	214	145	k.	k.	PROPN
bibechana-74596	214	146	morokuma	morokuma	PROPN
bibechana-74596	214	147	,	,	PUNCT
bibechana-74596	214	148	v.	v.	ADP
bibechana-74596	214	149	g.	g.	PROPN
bibechana-74596	214	150	zakrzewski	zakrzewski	PROPN
bibechana-74596	214	151	,	,	PUNCT
bibechana-74596	214	152	g.	g.	PROPN
bibechana-74596	214	153	a.	a.	PROPN
bibechana-74596	214	154	voth	voth	PROPN
bibechana-74596	214	155	,	,	PUNCT
bibechana-74596	214	156	p.	p.	PROPN
bibechana-74596	214	157	salvador	salvador	PROPN
bibechana-74596	214	158	,	,	PUNCT
bibechana-74596	214	159	j.	j.	PROPN
bibechana-74596	214	160	j.	j.	PROPN
bibechana-74596	214	161	dannenberg	dannenberg	PROPN
bibechana-74596	214	162	,	,	PUNCT
bibechana-74596	214	163	s.	s.	PROPN
bibechana-74596	214	164	dapprich	dapprich	PROPN
bibechana-74596	214	165	,	,	PUNCT
bibechana-74596	214	166	a.	a.	PROPN
bibechana-74596	214	167	d.	d.	PROPN
bibechana-74596	214	168	daniels	daniels	PROPN
bibechana-74596	214	169	,	,	PUNCT
bibechana-74596	214	170	ö.	ö.	PROPN
bibechana-74596	214	171	farkas	farkas	PROPN
bibechana-74596	214	172	,	,	PUNCT
bibechana-74596	214	173	j.	j.	PROPN
bibechana-74596	214	174	b.	b.	PROPN
bibechana-74596	214	175	foresman	foresman	PROPN
bibechana-74596	214	176	,	,	PUNCT
bibechana-74596	214	177	j.	j.	PROPN
bibechana-74596	214	178	v.	v.	PROPN
bibechana-74596	214	179	ortiz	ortiz	PROPN
bibechana-74596	214	180	,	,	PUNCT
bibechana-74596	214	181	j.	j.	PROPN
bibechana-74596	214	182	cioslowski	cioslowski	PROPN
bibechana-74596	214	183	,	,	PUNCT
bibechana-74596	214	184	and	and	CCONJ
bibechana-74596	214	185	d.	d.	PROPN
bibechana-74596	214	186	j.	j.	PROPN
bibechana-74596	214	187	fox	fox	PROPN
bibechana-74596	214	188	.	.	PUNCT
bibechana-74596	215	1	gaussian	gaussian	VERB
bibechana-74596	215	2	16	16	NUM
bibechana-74596	215	3	revision	revision	NOUN
bibechana-74596	215	4	,	,	PUNCT
bibechana-74596	215	5	2016	2016	NUM
bibechana-74596	215	6	.	.	PUNCT
bibechana-74596	216	1	[	[	X
bibechana-74596	216	2	8	8	NUM
bibechana-74596	216	3	]	]	X
bibechana-74596	216	4	c.	c.	PROPN
bibechana-74596	216	5	lee	lee	PROPN
bibechana-74596	216	6	,	,	PUNCT
bibechana-74596	216	7	w.	w.	PROPN
bibechana-74596	216	8	yang	yang	PROPN
bibechana-74596	216	9	,	,	PUNCT
bibechana-74596	216	10	and	and	CCONJ
bibechana-74596	216	11	r.	r.	PROPN
bibechana-74596	216	12	g.	g.	PROPN
bibechana-74596	216	13	parr	parr	PROPN
bibechana-74596	216	14	.	.	PUNCT
bibechana-74596	217	1	development	development	NOUN
bibechana-74596	217	2	of	of	ADP
bibechana-74596	217	3	the	the	DET
bibechana-74596	217	4	colle	colle	NOUN
bibechana-74596	217	5	-	-	PUNCT
bibechana-74596	217	6	salvetti	salvetti	VERB
bibechana-74596	217	7	correlation	correlation	NOUN
bibechana-74596	217	8	-	-	PUNCT
bibechana-74596	217	9	energy	energy	NOUN
bibechana-74596	217	10	formula	formula	NOUN
bibechana-74596	217	11	into	into	ADP
bibechana-74596	217	12	a	a	DET
bibechana-74596	217	13	functional	functional	NOUN
bibechana-74596	217	14	of	of	ADP
bibechana-74596	217	15	the	the	DET
bibechana-74596	217	16	electron	electron	NOUN
bibechana-74596	217	17	density	density	NOUN
bibechana-74596	217	18	.	.	PUNCT
bibechana-74596	218	1	phys	phy	NOUN
bibechana-74596	218	2	.	.	PUNCT
bibechana-74596	219	1	rev	rev	PROPN
bibechana-74596	219	2	.	.	PROPN
bibechana-74596	220	1	b	b	X
bibechana-74596	220	2	,	,	PUNCT
bibechana-74596	220	3	37:785–789	37:785–789	PROPN
bibechana-74596	220	4	,	,	PUNCT
bibechana-74596	220	5	1988	1988	NUM
bibechana-74596	220	6	.	.	PUNCT
bibechana-74596	221	1	[	[	X
bibechana-74596	221	2	9	9	NUM
bibechana-74596	221	3	]	]	PUNCT
bibechana-74596	221	4	r.	r.	PROPN
bibechana-74596	221	5	g.	g.	PROPN
bibechana-74596	221	6	parr	parr	PROPN
bibechana-74596	221	7	and	and	CCONJ
bibechana-74596	221	8	w.	w.	PROPN
bibechana-74596	221	9	yang	yang	PROPN
bibechana-74596	221	10	.	.	PUNCT
bibechana-74596	222	1	density	density	NOUN
bibechana-74596	222	2	-	-	PUNCT
bibechana-74596	222	3	functional	functional	ADJ
bibechana-74596	222	4	theory	theory	NOUN
bibechana-74596	222	5	of	of	ADP
bibechana-74596	222	6	atoms	atom	NOUN
bibechana-74596	222	7	and	and	CCONJ
bibechana-74596	222	8	molecules	molecule	NOUN
bibechana-74596	222	9	.	.	PUNCT
bibechana-74596	223	1	oxford	oxford	PROPN
bibechana-74596	223	2	univ	univ	PROPN
bibechana-74596	223	3	.	.	PUNCT
bibechana-74596	224	1	press	press	PROPN
bibechana-74596	224	2	,	,	PUNCT
bibechana-74596	224	3	new	new	PROPN
bibechana-74596	224	4	york	york	PROPN
bibechana-74596	224	5	,	,	PUNCT
bibechana-74596	224	6	ny	ny	PROPN
bibechana-74596	224	7	,	,	PUNCT
bibechana-74596	224	8	1	1	NUM
bibechana-74596	224	9	edition	edition	NOUN
bibechana-74596	224	10	,	,	PUNCT
bibechana-74596	224	11	1994	1994	NUM
bibechana-74596	224	12	.	.	PUNCT
bibechana-74596	225	1	[	[	X
bibechana-74596	225	2	10	10	NUM
bibechana-74596	225	3	]	]	PUNCT
bibechana-74596	225	4	a.	a.	NOUN
bibechana-74596	225	5	d.	d.	PROPN
bibechana-74596	225	6	becke	becke	PROPN
bibechana-74596	225	7	.	.	PUNCT
bibechana-74596	226	1	density	density	NOUN
bibechana-74596	226	2	-	-	PUNCT
bibechana-74596	226	3	functional	functional	ADJ
bibechana-74596	226	4	thermochemistry	thermochemistry	NOUN
bibechana-74596	226	5	.	.	PUNCT
bibechana-74596	227	1	iii	iii	X
bibechana-74596	227	2	.	.	PUNCT
bibechana-74596	228	1	the	the	DET
bibechana-74596	228	2	role	role	NOUN
bibechana-74596	228	3	of	of	ADP
bibechana-74596	228	4	exact	exact	ADJ
bibechana-74596	228	5	exchange	exchange	NOUN
bibechana-74596	228	6	.	.	PUNCT
bibechana-74596	229	1	j.	j.	PROPN
bibechana-74596	229	2	chem	chem	PROPN
bibechana-74596	229	3	.	.	PUNCT
bibechana-74596	230	1	phys	phy	NOUN
bibechana-74596	230	2	.	.	PUNCT
bibechana-74596	230	3	,	,	PUNCT
bibechana-74596	230	4	98:5648–5652	98:5648–5652	NUM
bibechana-74596	230	5	,	,	PUNCT
bibechana-74596	230	6	1993	1993	NUM
bibechana-74596	230	7	.	.	PUNCT
bibechana-74596	231	1	[	[	X
bibechana-74596	231	2	11	11	NUM
bibechana-74596	231	3	]	]	PUNCT
bibechana-74596	231	4	t.	t.	PROPN
bibechana-74596	231	5	h.	h.	PROPN
bibechana-74596	231	6	dunning	dunning	NOUN
bibechana-74596	231	7	.	.	PUNCT
bibechana-74596	232	1	gaussian	gaussian	ADJ
bibechana-74596	232	2	basis	basis	NOUN
bibechana-74596	232	3	sets	set	NOUN
bibechana-74596	232	4	for	for	ADP
bibechana-74596	232	5	use	use	NOUN
bibechana-74596	232	6	in	in	ADP
bibechana-74596	232	7	correlated	correlate	VERB
bibechana-74596	232	8	molecular	molecular	ADJ
bibechana-74596	232	9	calculations	calculation	NOUN
bibechana-74596	232	10	.	.	PUNCT
bibechana-74596	233	1	i.	i.	NOUN
bibechana-74596	233	2	the	the	DET
bibechana-74596	233	3	atoms	atom	NOUN
bibechana-74596	233	4	boron	boron	NOUN
bibechana-74596	233	5	through	through	ADP
bibechana-74596	233	6	neon	neon	NOUN
bibechana-74596	233	7	and	and	CCONJ
bibechana-74596	233	8	hydrogen	hydrogen	NOUN
bibechana-74596	233	9	.	.	PUNCT
bibechana-74596	234	1	j.	j.	PROPN
bibechana-74596	234	2	chem	chem	PROPN
bibechana-74596	234	3	.	.	PUNCT
bibechana-74596	235	1	phys	phy	NOUN
bibechana-74596	235	2	.	.	PUNCT
bibechana-74596	235	3	,	,	PUNCT
bibechana-74596	235	4	90:1007–1023	90:1007–1023	NUM
bibechana-74596	235	5	,	,	PUNCT
bibechana-74596	235	6	1989	1989	NUM
bibechana-74596	235	7	.	.	PUNCT
bibechana-74596	236	1	[	[	X
bibechana-74596	236	2	12	12	NUM
bibechana-74596	236	3	]	]	PUNCT
bibechana-74596	236	4	p.	p.	NOUN
bibechana-74596	236	5	hohenberg	hohenberg	PROPN
bibechana-74596	236	6	and	and	CCONJ
bibechana-74596	236	7	w.	w.	PROPN
bibechana-74596	236	8	kohn	kohn	PROPN
bibechana-74596	236	9	.	.	PUNCT
bibechana-74596	237	1	inhomogeneous	inhomogeneous	ADJ
bibechana-74596	237	2	electron	electron	NOUN
bibechana-74596	237	3	gas	gas	NOUN
bibechana-74596	237	4	.	.	PUNCT
bibechana-74596	238	1	phys	phy	NOUN
bibechana-74596	238	2	.	.	PUNCT
bibechana-74596	239	1	rev	rev	PROPN
bibechana-74596	239	2	.	.	PROPN
bibechana-74596	239	3	,	,	PUNCT
bibechana-74596	239	4	136	136	NUM
bibechana-74596	239	5	:	:	PUNCT
bibechana-74596	239	6	b864	b864	NUM
bibechana-74596	239	7	–	–	PUNCT
bibechana-74596	239	8	b871	b871	PROPN
bibechana-74596	239	9	,	,	PUNCT
bibechana-74596	239	10	1964	1964	NUM
bibechana-74596	239	11	.	.	PUNCT
bibechana-74596	240	1	[	[	X
bibechana-74596	240	2	13	13	NUM
bibechana-74596	240	3	]	]	X
bibechana-74596	240	4	r.	r.	PROPN
bibechana-74596	240	5	dennington	dennington	PROPN
bibechana-74596	240	6	,	,	PUNCT
bibechana-74596	240	7	t.	t.	PROPN
bibechana-74596	240	8	a.	a.	PROPN
bibechana-74596	240	9	keith	keith	PROPN
bibechana-74596	240	10	,	,	PUNCT
bibechana-74596	240	11	and	and	CCONJ
bibechana-74596	240	12	j.	j.	PROPN
bibechana-74596	240	13	millam	millam	PROPN
bibechana-74596	240	14	.	.	PUNCT
bibechana-74596	241	1	gaussview	gaussview	NOUN
bibechana-74596	241	2	06	06	NUM
bibechana-74596	241	3	.	.	PUNCT
bibechana-74596	242	1	shawnee	shawnee	PROPN
bibechana-74596	242	2	mission	mission	PROPN
bibechana-74596	242	3	,	,	PUNCT
bibechana-74596	242	4	ks	ks	NOUN
bibechana-74596	242	5	,	,	PUNCT
bibechana-74596	242	6	2016	2016	NUM
bibechana-74596	242	7	.	.	PUNCT
bibechana-74596	243	1	[	[	X
bibechana-74596	243	2	14	14	NUM
bibechana-74596	243	3	]	]	PUNCT
bibechana-74596	243	4	t.	t.	PROPN
bibechana-74596	243	5	a.	a.	PROPN
bibechana-74596	243	6	keith	keith	PROPN
bibechana-74596	243	7	.	.	PUNCT
bibechana-74596	244	1	aimall	aimall	PROPN
bibechana-74596	244	2	version	version	NOUN
bibechana-74596	244	3	(	(	PUNCT
bibechana-74596	244	4	19.10.12	19.10.12	NUM
bibechana-74596	244	5	)	)	PUNCT
bibechana-74596	244	6	,	,	PUNCT
bibechana-74596	244	7	2019	2019	NUM
bibechana-74596	244	8	.	.	PUNCT
bibechana-74596	245	1	[	[	X
bibechana-74596	245	2	15	15	NUM
bibechana-74596	245	3	]	]	X
bibechana-74596	245	4	r.	r.	PROPN
bibechana-74596	245	5	f.	f.	PROPN
bibechana-74596	245	6	w.	w.	PROPN
bibechana-74596	245	7	bader	bader	PROPN
bibechana-74596	245	8	.	.	PUNCT
bibechana-74596	246	1	atoms	atom	NOUN
bibechana-74596	246	2	in	in	ADP
bibechana-74596	246	3	molecules	molecule	NOUN
bibechana-74596	246	4	:	:	PUNCT
bibechana-74596	246	5	a	a	DET
bibechana-74596	246	6	quantum	quantum	NOUN
bibechana-74596	246	7	theory	theory	NOUN
bibechana-74596	246	8	.	.	PUNCT
bibechana-74596	247	1	clarendon	clarendon	PROPN
bibechana-74596	247	2	press	press	NOUN
bibechana-74596	247	3	;	;	PUNCT
bibechana-74596	247	4	oxford	oxford	PROPN
bibechana-74596	247	5	university	university	PROPN
bibechana-74596	247	6	press	press	NOUN
bibechana-74596	247	7	,	,	PUNCT
bibechana-74596	248	1	oxford	oxford	PROPN
bibechana-74596	249	1	[	[	X
bibechana-74596	249	2	england	england	PROPN
bibechana-74596	249	3	]	]	X
bibechana-74596	249	4	;	;	PUNCT
bibechana-74596	249	5	new	new	PROPN
bibechana-74596	249	6	york	york	PROPN
bibechana-74596	249	7	,	,	PUNCT
bibechana-74596	249	8	1994	1994	NUM
bibechana-74596	249	9	.	.	PUNCT
bibechana-74596	250	1	[	[	X
bibechana-74596	250	2	16	16	NUM
bibechana-74596	250	3	]	]	PUNCT
bibechana-74596	250	4	t.	t.	PROPN
bibechana-74596	250	5	lu	lu	PROPN
bibechana-74596	250	6	and	and	CCONJ
bibechana-74596	250	7	f.	f.	PROPN
bibechana-74596	250	8	chen	chen	PROPN
bibechana-74596	250	9	.	.	PUNCT
bibechana-74596	251	1	multiwfn	multiwfn	PROPN
bibechana-74596	251	2	:	:	PUNCT
bibechana-74596	251	3	a	a	DET
bibechana-74596	251	4	multifunctional	multifunctional	ADJ
bibechana-74596	251	5	wavefunction	wavefunction	NOUN
bibechana-74596	251	6	analyzer	analyzer	NOUN
bibechana-74596	251	7	.	.	PUNCT
bibechana-74596	252	1	j.	j.	PROPN
bibechana-74596	252	2	comput	comput	PROPN
bibechana-74596	252	3	.	.	PUNCT
bibechana-74596	253	1	chem	chem	NOUN
bibechana-74596	253	2	.	.	PUNCT
bibechana-74596	253	3	,	,	PUNCT
bibechana-74596	253	4	33:580–592	33:580–592	NUM
bibechana-74596	253	5	,	,	PUNCT
bibechana-74596	253	6	2012	2012	NUM
bibechana-74596	253	7	.	.	PUNCT
bibechana-74596	254	1	[	[	X
bibechana-74596	254	2	17	17	NUM
bibechana-74596	254	3	]	]	X
bibechana-74596	254	4	w.	w.	PROPN
bibechana-74596	254	5	humphrey	humphrey	PROPN
bibechana-74596	254	6	,	,	PUNCT
bibechana-74596	254	7	a.	a.	PROPN
bibechana-74596	254	8	dalke	dalke	PROPN
bibechana-74596	254	9	,	,	PUNCT
bibechana-74596	254	10	and	and	CCONJ
bibechana-74596	254	11	k.	k.	PROPN
bibechana-74596	254	12	schulten	schulten	PROPN
bibechana-74596	254	13	.	.	PUNCT
bibechana-74596	255	1	vmd	vmd	PROPN
bibechana-74596	255	2	:	:	PUNCT
bibechana-74596	255	3	visual	visual	ADJ
bibechana-74596	255	4	molecular	molecular	ADJ
bibechana-74596	255	5	dynamics	dynamic	NOUN
bibechana-74596	255	6	.	.	PUNCT
bibechana-74596	256	1	j.	j.	PROPN
bibechana-74596	256	2	mol	mol	PROPN
bibechana-74596	256	3	.	.	PROPN
bibechana-74596	256	4	graph	graph	NOUN
bibechana-74596	256	5	.	.	PROPN
bibechana-74596	256	6	,	,	PUNCT
bibechana-74596	256	7	14:33–38	14:33–38	NUM
bibechana-74596	256	8	,	,	PUNCT
bibechana-74596	256	9	1996	1996	NUM
bibechana-74596	256	10	.	.	PUNCT
bibechana-74596	257	1	[	[	X
bibechana-74596	257	2	18	18	NUM
bibechana-74596	257	3	]	]	X
bibechana-74596	257	4	o.	o.	NOUN
bibechana-74596	257	5	trott	trott	PROPN
bibechana-74596	257	6	and	and	CCONJ
bibechana-74596	257	7	a.	a.	PROPN
bibechana-74596	257	8	j.	j.	PROPN
bibechana-74596	257	9	olson	olson	PROPN
bibechana-74596	257	10	.	.	PUNCT
bibechana-74596	258	1	autodock	autodock	PROPN
bibechana-74596	258	2	vina	vina	PROPN
bibechana-74596	258	3	:	:	PUNCT
bibechana-74596	258	4	improving	improve	VERB
bibechana-74596	258	5	the	the	DET
bibechana-74596	258	6	speed	speed	NOUN
bibechana-74596	258	7	and	and	CCONJ
bibechana-74596	258	8	accuracy	accuracy	NOUN
bibechana-74596	258	9	of	of	ADP
bibechana-74596	258	10	docking	docking	NOUN
bibechana-74596	258	11	with	with	ADP
bibechana-74596	258	12	a	a	DET
bibechana-74596	258	13	new	new	ADJ
bibechana-74596	258	14	scoring	scoring	NOUN
bibechana-74596	258	15	function	function	NOUN
bibechana-74596	258	16	,	,	PUNCT
bibechana-74596	258	17	efficient	efficient	ADJ
bibechana-74596	258	18	optimization	optimization	NOUN
bibechana-74596	258	19	,	,	PUNCT
bibechana-74596	258	20	and	and	CCONJ
bibechana-74596	258	21	multithreading	multithreading	NOUN
bibechana-74596	258	22	.	.	PUNCT
bibechana-74596	259	1	j.	j.	PROPN
bibechana-74596	259	2	comput	comput	PROPN
bibechana-74596	259	3	.	.	PUNCT
bibechana-74596	260	1	chem	chem	NOUN
bibechana-74596	260	2	.	.	PUNCT
bibechana-74596	260	3	,	,	PUNCT
bibechana-74596	261	1	31:455–461	31:455–461	NUM
bibechana-74596	261	2	,	,	PUNCT
bibechana-74596	261	3	2010	2010	NUM
bibechana-74596	261	4	.	.	PUNCT
bibechana-74596	262	1	[	[	X
bibechana-74596	262	2	19	19	NUM
bibechana-74596	262	3	]	]	PUNCT
bibechana-74596	262	4	discovery	discovery	NOUN
bibechana-74596	262	5	studio	studio	NOUN
bibechana-74596	262	6	4.5	4.5	NUM
bibechana-74596	262	7	guide	guide	NOUN
bibechana-74596	262	8	.	.	PUNCT
bibechana-74596	263	1	san	san	PROPN
bibechana-74596	263	2	diego	diego	PROPN
bibechana-74596	263	3	,	,	PUNCT
bibechana-74596	263	4	2009	2009	NUM
bibechana-74596	263	5	.	.	PUNCT
bibechana-74596	264	1	[	[	X
bibechana-74596	264	2	20	20	NUM
bibechana-74596	264	3	]	]	X
bibechana-74596	264	4	n.	n.	PROPN
bibechana-74596	264	5	m.	m.	PROPN
bibechana-74596	264	6	o’boyle	o’boyle	PROPN
bibechana-74596	264	7	,	,	PUNCT
bibechana-74596	264	8	a.	a.	PROPN
bibechana-74596	264	9	l.	l.	PROPN
bibechana-74596	264	10	tenderholt	tenderholt	PROPN
bibechana-74596	264	11	,	,	PUNCT
bibechana-74596	264	12	and	and	CCONJ
bibechana-74596	264	13	k.	k.	PROPN
bibechana-74596	264	14	m.	m.	PROPN
bibechana-74596	264	15	langner	langner	PROPN
bibechana-74596	264	16	.	.	PUNCT
bibechana-74596	265	1	cclib	cclib	ADJ
bibechana-74596	265	2	:	:	PUNCT
bibechana-74596	265	3	a	a	DET
bibechana-74596	265	4	library	library	NOUN
bibechana-74596	265	5	for	for	ADP
bibechana-74596	265	6	packageindependent	packageindependent	NOUN
bibechana-74596	265	7	computational	computational	ADJ
bibechana-74596	265	8	chemistry	chemistry	NOUN
bibechana-74596	265	9	algorithms	algorithm	NOUN
bibechana-74596	265	10	.	.	PUNCT
bibechana-74596	266	1	j.	j.	PROPN
bibechana-74596	266	2	comput	comput	PROPN
bibechana-74596	266	3	.	.	PUNCT
bibechana-74596	267	1	chem	chem	PROPN
bibechana-74596	267	2	.	.	PUNCT
bibechana-74596	267	3	,	,	PUNCT
bibechana-74596	267	4	29(5):839–845	29(5):839–845	PROPN
bibechana-74596	267	5	,	,	PUNCT
bibechana-74596	267	6	2008	2008	NUM
bibechana-74596	267	7	.	.	PUNCT
bibechana-74596	268	1	[	[	X
bibechana-74596	268	2	21	21	NUM
bibechana-74596	268	3	]	]	X
bibechana-74596	268	4	u.	u.	PROPN
bibechana-74596	268	5	koch	koch	PROPN
bibechana-74596	268	6	and	and	CCONJ
bibechana-74596	268	7	p.	p.	PROPN
bibechana-74596	268	8	l.	l.	PROPN
bibechana-74596	268	9	a.	a.	PROPN
bibechana-74596	268	10	popelier	popelier	PROPN
bibechana-74596	268	11	.	.	PUNCT
bibechana-74596	269	1	characterization	characterization	NOUN
bibechana-74596	269	2	of	of	ADP
bibechana-74596	269	3	c	c	NOUN
bibechana-74596	269	4	-	-	PUNCT
bibechana-74596	269	5	h	h	NOUN
bibechana-74596	269	6	-	-	PUNCT
bibechana-74596	269	7	o	o	NOUN
bibechana-74596	269	8	hydrogen	hydrogen	NOUN
bibechana-74596	269	9	bonds	bond	NOUN
bibechana-74596	269	10	on	on	ADP
bibechana-74596	269	11	the	the	DET
bibechana-74596	269	12	basis	basis	NOUN
bibechana-74596	269	13	of	of	ADP
bibechana-74596	269	14	the	the	DET
bibechana-74596	269	15	charge	charge	NOUN
bibechana-74596	269	16	density	density	NOUN
bibechana-74596	269	17	.	.	PUNCT
bibechana-74596	270	1	j.	j.	PROPN
bibechana-74596	270	2	phys	phys	PROPN
bibechana-74596	270	3	.	.	PUNCT
bibechana-74596	271	1	chem	chem	PROPN
bibechana-74596	271	2	.	.	PUNCT
bibechana-74596	271	3	,	,	PUNCT
bibechana-74596	271	4	99:9747–9754	99:9747–9754	NUM
bibechana-74596	271	5	,	,	PUNCT
bibechana-74596	271	6	1995	1995	NUM
bibechana-74596	271	7	.	.	PUNCT
bibechana-74596	272	1	[	[	X
bibechana-74596	272	2	22	22	NUM
bibechana-74596	272	3	]	]	X
bibechana-74596	272	4	i.	i.	PROPN
bibechana-74596	272	5	rozas	rozas	PROPN
bibechana-74596	272	6	,	,	PUNCT
bibechana-74596	272	7	i.	i.	PROPN
bibechana-74596	272	8	alkorta	alkorta	PROPN
bibechana-74596	272	9	,	,	PUNCT
bibechana-74596	272	10	and	and	CCONJ
bibechana-74596	272	11	j.	j.	PROPN
bibechana-74596	272	12	elguero	elguero	PROPN
bibechana-74596	272	13	.	.	PUNCT
bibechana-74596	273	1	behavior	behavior	NOUN
bibechana-74596	273	2	of	of	ADP
bibechana-74596	273	3	ylides	ylide	NOUN
bibechana-74596	273	4	containing	contain	VERB
bibechana-74596	273	5	n	n	CCONJ
bibechana-74596	273	6	,	,	PUNCT
bibechana-74596	273	7	o	o	NOUN
bibechana-74596	273	8	,	,	PUNCT
bibechana-74596	273	9	and	and	CCONJ
bibechana-74596	273	10	c	c	NOUN
bibechana-74596	273	11	atoms	atom	NOUN
bibechana-74596	273	12	as	as	ADP
bibechana-74596	273	13	hydrogen	hydrogen	NOUN
bibechana-74596	273	14	bond	bond	NOUN
bibechana-74596	273	15	acceptors	acceptor	NOUN
bibechana-74596	273	16	.	.	PUNCT
bibechana-74596	274	1	j.	j.	PROPN
bibechana-74596	274	2	am	am	PROPN
bibechana-74596	274	3	.	.	PUNCT
bibechana-74596	275	1	chem	chem	NOUN
bibechana-74596	275	2	.	.	PUNCT
bibechana-74596	276	1	soc	soc	PROPN
bibechana-74596	276	2	.	.	PUNCT
bibechana-74596	276	3	,	,	PUNCT
bibechana-74596	276	4	122:11154–11161	122:11154–11161	NUM
bibechana-74596	276	5	,	,	PUNCT
bibechana-74596	276	6	2000	2000	NUM
bibechana-74596	276	7	.	.	PUNCT
bibechana-74596	277	1	[	[	X
bibechana-74596	277	2	23	23	NUM
bibechana-74596	277	3	]	]	X
bibechana-74596	277	4	s.	s.	PROPN
bibechana-74596	277	5	sarfaraz	sarfaraz	PROPN
bibechana-74596	277	6	,	,	PUNCT
bibechana-74596	277	7	m.	m.	NOUN
bibechana-74596	277	8	yar	yar	PROPN
bibechana-74596	277	9	,	,	PUNCT
bibechana-74596	277	10	m.	m.	NOUN
bibechana-74596	277	11	ans	ans	PROPN
bibechana-74596	277	12	,	,	PUNCT
bibechana-74596	277	13	m.	m.	NOUN
bibechana-74596	277	14	a.	a.	PROPN
bibechana-74596	277	15	gilani	gilani	PROPN
bibechana-74596	277	16	,	,	PUNCT
bibechana-74596	277	17	r.	r.	PROPN
bibechana-74596	277	18	ludwig	ludwig	PROPN
bibechana-74596	277	19	,	,	PUNCT
bibechana-74596	277	20	m.	m.	PROPN
bibechana-74596	277	21	a.	a.	PROPN
bibechana-74596	277	22	hashmi	hashmi	PROPN
bibechana-74596	277	23	,	,	PUNCT
bibechana-74596	277	24	m.	m.	NOUN
bibechana-74596	277	25	hussain	hussain	PROPN
bibechana-74596	277	26	,	,	PUNCT
bibechana-74596	277	27	s.	s.	PROPN
bibechana-74596	277	28	muhammad	muhammad	PROPN
bibechana-74596	277	29	,	,	PUNCT
bibechana-74596	277	30	and	and	CCONJ
bibechana-74596	277	31	k.	k.	PROPN
bibechana-74596	277	32	ayub	ayub	PROPN
bibechana-74596	277	33	.	.	PUNCT
bibechana-74596	278	1	computational	computational	ADJ
bibechana-74596	278	2	investigation	investigation	NOUN
bibechana-74596	278	3	of	of	ADP
bibechana-74596	278	4	a	a	DET
bibechana-74596	278	5	covalent	covalent	ADJ
bibechana-74596	278	6	triazine	triazine	NOUN
bibechana-74596	278	7	framework	framework	NOUN
bibechana-74596	278	8	(	(	PUNCT
bibechana-74596	278	9	ctf-0	ctf-0	NUM
bibechana-74596	278	10	)	)	PUNCT
bibechana-74596	278	11	as	as	ADP
bibechana-74596	278	12	an	an	DET
bibechana-74596	278	13	efficient	efficient	ADJ
bibechana-74596	278	14	electrochemical	electrochemical	ADJ
bibechana-74596	278	15	sensor	sensor	NOUN
bibechana-74596	278	16	.	.	PUNCT
bibechana-74596	279	1	rsc	rsc	PROPN
bibechana-74596	279	2	adv	adv	PROPN
bibechana-74596	279	3	.	.	PROPN
bibechana-74596	279	4	,	,	PUNCT
bibechana-74596	279	5	12:3909–3923	12:3909–3923	NUM
bibechana-74596	279	6	,	,	PUNCT
bibechana-74596	279	7	2022	2022	NUM
bibechana-74596	279	8	.	.	PUNCT
bibechana-74596	280	1	[	[	X
bibechana-74596	280	2	24	24	NUM
bibechana-74596	280	3	]	]	X
bibechana-74596	280	4	e.	e.	PROPN
bibechana-74596	280	5	r.	r.	PROPN
bibechana-74596	280	6	johnson	johnson	PROPN
bibechana-74596	280	7	,	,	PUNCT
bibechana-74596	280	8	s.	s.	PROPN
bibechana-74596	280	9	keinan	keinan	PROPN
bibechana-74596	280	10	,	,	PUNCT
bibechana-74596	280	11	p.	p.	PROPN
bibechana-74596	280	12	mori	mori	NOUN
bibechana-74596	280	13	-	-	PUNCT
bibechana-74596	280	14	sánchez	sánchez	PROPN
bibechana-74596	280	15	,	,	PUNCT
bibechana-74596	280	16	j.	j.	PROPN
bibechana-74596	280	17	contreras	contreras	PROPN
bibechana-74596	280	18	-	-	PUNCT
bibechana-74596	280	19	garcía	garcía	PROPN
bibechana-74596	280	20	,	,	PUNCT
bibechana-74596	280	21	a.	a.	PROPN
bibechana-74596	280	22	j.	j.	PROPN
bibechana-74596	280	23	cohen	cohen	PROPN
bibechana-74596	280	24	,	,	PUNCT
bibechana-74596	280	25	and	and	CCONJ
bibechana-74596	280	26	w.	w.	PROPN
bibechana-74596	280	27	yang	yang	PROPN
bibechana-74596	280	28	.	.	PUNCT
bibechana-74596	281	1	revealing	reveal	VERB
bibechana-74596	281	2	non	non	ADJ
bibechana-74596	281	3	-	-	ADJ
bibechana-74596	281	4	covalent	covalent	ADJ
bibechana-74596	281	5	interactions	interaction	NOUN
bibechana-74596	281	6	.	.	PUNCT
bibechana-74596	282	1	j.	j.	PROPN
bibechana-74596	282	2	am	am	PROPN
bibechana-74596	282	3	.	.	PUNCT
bibechana-74596	283	1	chem	chem	NOUN
bibechana-74596	283	2	.	.	PUNCT
bibechana-74596	284	1	soc	soc	PROPN
bibechana-74596	284	2	.	.	PUNCT
bibechana-74596	284	3	,	,	PUNCT
bibechana-74596	284	4	132:6498–6506	132:6498–6506	NOUN
bibechana-74596	284	5	,	,	PUNCT
bibechana-74596	284	6	2010	2010	NUM
bibechana-74596	284	7	.	.	PUNCT
bibechana-74596	285	1	[	[	X
bibechana-74596	285	2	25	25	NUM
bibechana-74596	285	3	]	]	PUNCT
bibechana-74596	285	4	t.	t.	PROPN
bibechana-74596	285	5	r.	r.	PROPN
bibechana-74596	285	6	paneru	paneru	PROPN
bibechana-74596	285	7	,	,	PUNCT
bibechana-74596	285	8	m.	m.	PROPN
bibechana-74596	285	9	k.	k.	PROPN
bibechana-74596	285	10	chaudhary	chaudhary	PROPN
bibechana-74596	285	11	,	,	PUNCT
bibechana-74596	285	12	p.	p.	PROPN
bibechana-74596	285	13	tandon	tandon	PROPN
bibechana-74596	285	14	,	,	PUNCT
bibechana-74596	285	15	and	and	CCONJ
bibechana-74596	285	16	b.	b.	PROPN
bibechana-74596	285	17	d.	d.	PROPN
bibechana-74596	285	18	joshi	joshi	PROPN
bibechana-74596	285	19	.	.	PUNCT
bibechana-74596	286	1	cocrystal	cocrystal	PROPN
bibechana-74596	286	2	screening	screening	NOUN
bibechana-74596	286	3	of	of	ADP
bibechana-74596	286	4	benznidazole	benznidazole	NOUN
bibechana-74596	286	5	based	base	VERB
bibechana-74596	286	6	on	on	ADP
bibechana-74596	286	7	electronic	electronic	ADJ
bibechana-74596	286	8	transition	transition	NOUN
bibechana-74596	286	9	,	,	PUNCT
bibechana-74596	286	10	molecular	molecular	ADJ
bibechana-74596	286	11	reactivity	reactivity	NOUN
bibechana-74596	286	12	,	,	PUNCT
bibechana-74596	286	13	hydrogen	hydrogen	NOUN
bibechana-74596	286	14	bonding	bonding	NOUN
bibechana-74596	286	15	,	,	PUNCT
bibechana-74596	286	16	and	and	CCONJ
bibechana-74596	286	17	stability	stability	NOUN
bibechana-74596	286	18	.	.	PUNCT
bibechana-74596	287	1	j.	j.	PROPN
bibechana-74596	287	2	mol	mol	PROPN
bibechana-74596	287	3	.	.	PROPN
bibechana-74596	287	4	model	model	PROPN
bibechana-74596	287	5	.	.	PUNCT
bibechana-74596	287	6	,	,	PUNCT
bibechana-74596	287	7	30:378	30:378	NUM
bibechana-74596	287	8	,	,	PUNCT
bibechana-74596	287	9	2024	2024	NUM
bibechana-74596	287	10	.	.	PUNCT
bibechana-74596	288	1	[	[	X
bibechana-74596	288	2	26	26	NUM
bibechana-74596	288	3	]	]	X
bibechana-74596	288	4	g.	g.	PROPN
bibechana-74596	288	5	a.	a.	PROPN
bibechana-74596	288	6	guirgis	guirgis	PROPN
bibechana-74596	288	7	,	,	PUNCT
bibechana-74596	288	8	p.	p.	PROPN
bibechana-74596	288	9	klaboe	klaboe	PROPN
bibechana-74596	288	10	,	,	PUNCT
bibechana-74596	288	11	s.	s.	PROPN
bibechana-74596	288	12	shen	shen	PROPN
bibechana-74596	288	13	,	,	PUNCT
bibechana-74596	288	14	d.	d.	PROPN
bibechana-74596	288	15	l.	l.	PROPN
bibechana-74596	288	16	powell	powell	PROPN
bibechana-74596	288	17	,	,	PUNCT
bibechana-74596	288	18	a.	a.	NOUN
bibechana-74596	288	19	gruodis	gruodis	PROPN
bibechana-74596	288	20	,	,	PUNCT
bibechana-74596	288	21	v.	v.	ADP
bibechana-74596	288	22	aleksa	aleksa	PROPN
bibechana-74596	288	23	,	,	PUNCT
bibechana-74596	288	24	c.	c.	PROPN
bibechana-74596	288	25	j.	j.	PROPN
bibechana-74596	288	26	nielsen	nielsen	PROPN
bibechana-74596	288	27	,	,	PUNCT
bibechana-74596	288	28	j.	j.	PROPN
bibechana-74596	288	29	tao	tao	PROPN
bibechana-74596	288	30	,	,	PUNCT
bibechana-74596	288	31	c.	c.	PROPN
bibechana-74596	288	32	zheng	zheng	PROPN
bibechana-74596	288	33	,	,	PUNCT
bibechana-74596	288	34	and	and	CCONJ
bibechana-74596	288	35	j.	j.	PROPN
bibechana-74596	288	36	r.	r.	PROPN
bibechana-74596	288	37	durig	durig	PROPN
bibechana-74596	288	38	.	.	PUNCT
bibechana-74596	289	1	spectra	spectra	NOUN
bibechana-74596	289	2	and	and	CCONJ
bibechana-74596	289	3	structure	structure	NOUN
bibechana-74596	289	4	of	of	ADP
bibechana-74596	289	5	silicon	silicon	NOUN
bibechana-74596	289	6	-	-	PUNCT
bibechana-74596	289	7	containing	contain	VERB
bibechana-74596	289	8	compounds	compound	NOUN
bibechana-74596	289	9	.	.	PUNCT
bibechana-74596	290	1	xxxvi	xxxvi	ADJ
bibechana-74596	290	2	—	—	PUNCT
bibechana-74596	290	3	raman	raman	NOUN
bibechana-74596	290	4	and	and	CCONJ
bibechana-74596	290	5	infrared	infrared	ADJ
bibechana-74596	290	6	spectra	spectra	PROPN
bibechana-74596	290	7	,	,	PUNCT
bibechana-74596	290	8	conformational	conformational	ADJ
bibechana-74596	290	9	stability	stability	NOUN
bibechana-74596	290	10	,	,	PUNCT
bibechana-74596	290	11	ab	ab	PROPN
bibechana-74596	290	12	initio	initio	PROPN
bibechana-74596	290	13	calculations	calculation	NOUN
bibechana-74596	290	14	and	and	CCONJ
bibechana-74596	290	15	vibrational	vibrational	ADJ
bibechana-74596	290	16	assignment	assignment	NOUN
bibechana-74596	290	17	of	of	ADP
bibechana-74596	290	18	ethyldibromosilane	ethyldibromosilane	PROPN
bibechana-74596	290	19	.	.	PUNCT
bibechana-74596	291	1	j.	j.	PROPN
bibechana-74596	291	2	raman	raman	PROPN
bibechana-74596	291	3	spectrosc	spectrosc	PROPN
bibechana-74596	291	4	.	.	PUNCT
bibechana-74596	291	5	,	,	PUNCT
bibechana-74596	292	1	34(4):322–336	34(4):322–336	NOUN
bibechana-74596	292	2	,	,	PUNCT
bibechana-74596	292	3	2003	2003	NUM
bibechana-74596	292	4	.	.	PUNCT
bibechana-74596	293	1	[	[	X
bibechana-74596	293	2	27	27	NUM
bibechana-74596	293	3	]	]	X
bibechana-74596	293	4	p.	p.	PROPN
bibechana-74596	293	5	l.	l.	PROPN
bibechana-74596	293	6	polavarapu	polavarapu	PROPN
bibechana-74596	293	7	.	.	PUNCT
bibechana-74596	294	1	ab	ab	PROPN
bibechana-74596	294	2	initio	initio	PROPN
bibechana-74596	294	3	vibrational	vibrational	PROPN
bibechana-74596	294	4	raman	raman	NOUN
bibechana-74596	294	5	and	and	CCONJ
bibechana-74596	294	6	raman	raman	ADJ
bibechana-74596	294	7	optical	optical	ADJ
bibechana-74596	294	8	activity	activity	NOUN
bibechana-74596	294	9	spectra	spectra	NOUN
bibechana-74596	294	10	.	.	PUNCT
bibechana-74596	295	1	j.	j.	PROPN
bibechana-74596	295	2	phys	phys	PROPN
bibechana-74596	295	3	.	.	PUNCT
bibechana-74596	296	1	chem	chem	PROPN
bibechana-74596	296	2	.	.	PUNCT
bibechana-74596	296	3	,	,	PUNCT
bibechana-74596	297	1	94(21):8106–8112	94(21):8106–8112	NUM
bibechana-74596	297	2	,	,	PUNCT
bibechana-74596	297	3	1990	1990	NUM
bibechana-74596	297	4	.	.	PUNCT
bibechana-74596	298	1	[	[	X
bibechana-74596	298	2	28	28	NUM
bibechana-74596	298	3	]	]	PUNCT
bibechana-74596	298	4	m.	m.	NOUN
bibechana-74596	298	5	p.	p.	PROPN
bibechana-74596	298	6	andersson	andersson	PROPN
bibechana-74596	298	7	and	and	CCONJ
bibechana-74596	298	8	p.	p.	PROPN
bibechana-74596	298	9	uvdal	uvdal	NOUN
bibechana-74596	298	10	.	.	PUNCT
bibechana-74596	299	1	new	new	ADJ
bibechana-74596	299	2	scale	scale	NOUN
bibechana-74596	299	3	factors	factor	NOUN
bibechana-74596	299	4	for	for	ADP
bibechana-74596	299	5	harmonic	harmonic	ADJ
bibechana-74596	299	6	vibrational	vibrational	ADJ
bibechana-74596	299	7	frequencies	frequency	NOUN
bibechana-74596	299	8	using	use	VERB
bibechana-74596	299	9	the	the	DET
bibechana-74596	299	10	b3lyp	b3lyp	NOUN
bibechana-74596	299	11	density	density	NOUN
bibechana-74596	299	12	functional	functional	ADJ
bibechana-74596	299	13	method	method	NOUN
bibechana-74596	299	14	with	with	ADP
bibechana-74596	299	15	the	the	DET
bibechana-74596	299	16	triple	triple	ADJ
bibechana-74596	299	17	-	-	PUNCT
bibechana-74596	299	18	ζ	ζ	NOUN
bibechana-74596	299	19	basis	basis	NOUN
bibechana-74596	299	20	set	set	VERB
bibechana-74596	299	21	6	6	NUM
bibechana-74596	299	22	-	-	SYM
bibechana-74596	299	23	311+g(d	311+g(d	NOUN
bibechana-74596	299	24	,	,	PUNCT
bibechana-74596	299	25	p	p	NOUN
bibechana-74596	299	26	)	)	PUNCT
bibechana-74596	299	27	.	.	PUNCT
bibechana-74596	300	1	j.	j.	PROPN
bibechana-74596	300	2	phys	phys	PROPN
bibechana-74596	300	3	.	.	PUNCT
bibechana-74596	301	1	chem	chem	PROPN
bibechana-74596	301	2	.	.	PUNCT
bibechana-74596	302	1	a	a	DET
bibechana-74596	302	2	,	,	PUNCT
bibechana-74596	302	3	109(12):2937–2941	109(12):2937–2941	NUM
bibechana-74596	302	4	,	,	PUNCT
bibechana-74596	302	5	2005	2005	NUM
bibechana-74596	302	6	.	.	PUNCT
bibechana-74596	303	1	[	[	X
bibechana-74596	303	2	29	29	NUM
bibechana-74596	303	3	]	]	X
bibechana-74596	303	4	r.	r.	PROPN
bibechana-74596	303	5	m.	m.	PROPN
bibechana-74596	303	6	silverstein	silverstein	PROPN
bibechana-74596	303	7	,	,	PUNCT
bibechana-74596	303	8	g.	g.	PROPN
bibechana-74596	303	9	c.	c.	PROPN
bibechana-74596	303	10	bassler	bassler	PROPN
bibechana-74596	303	11	,	,	PUNCT
bibechana-74596	303	12	and	and	CCONJ
bibechana-74596	303	13	t.	t.	PROPN
bibechana-74596	303	14	c.	c.	PROPN
bibechana-74596	303	15	morrill	morrill	PROPN
bibechana-74596	303	16	.	.	PUNCT
bibechana-74596	304	1	spectrometric	spectrometric	ADJ
bibechana-74596	304	2	identification	identification	NOUN
bibechana-74596	304	3	of	of	ADP
bibechana-74596	304	4	organic	organic	ADJ
bibechana-74596	304	5	compounds	compound	NOUN
bibechana-74596	304	6	.	.	PUNCT
bibechana-74596	305	1	john	john	PROPN
bibechana-74596	305	2	wiley	wiley	PROPN
bibechana-74596	305	3	and	and	CCONJ
bibechana-74596	305	4	sons	son	NOUN
bibechana-74596	305	5	,	,	PUNCT
bibechana-74596	305	6	new	new	PROPN
bibechana-74596	305	7	york	york	PROPN
bibechana-74596	305	8	,	,	PUNCT
bibechana-74596	305	9	4	4	NUM
bibechana-74596	305	10	edition	edition	NOUN
bibechana-74596	305	11	,	,	PUNCT
bibechana-74596	305	12	1981	1981	NUM
bibechana-74596	305	13	.	.	PUNCT
bibechana-74596	306	1	[	[	X
bibechana-74596	306	2	30	30	NUM
bibechana-74596	306	3	]	]	PUNCT
bibechana-74596	306	4	j.	j.	PROPN
bibechana-74596	306	5	mohan	mohan	PROPN
bibechana-74596	306	6	.	.	PUNCT
bibechana-74596	306	7	organic	organic	ADJ
bibechana-74596	306	8	spectroscopy	spectroscopy	NOUN
bibechana-74596	306	9	,	,	PUNCT
bibechana-74596	306	10	principles	principle	NOUN
bibechana-74596	306	11	and	and	CCONJ
bibechana-74596	306	12	applications	application	NOUN
bibechana-74596	306	13	.	.	PUNCT
bibechana-74596	307	1	narosa	narosa	PROPN
bibechana-74596	307	2	publishing	publishing	PROPN
bibechana-74596	307	3	house	house	PROPN
bibechana-74596	307	4	,	,	PUNCT
bibechana-74596	307	5	new	new	PROPN
bibechana-74596	307	6	delhi	delhi	PROPN
bibechana-74596	307	7	,	,	PUNCT
bibechana-74596	307	8	2	2	NUM
bibechana-74596	307	9	edition	edition	NOUN
bibechana-74596	307	10	,	,	PUNCT
bibechana-74596	307	11	2009	2009	NUM
bibechana-74596	307	12	.	.	PUNCT
bibechana-74596	308	1	manoj	manoj	PROPN
bibechana-74596	308	2	kumar	kumar	PROPN
bibechana-74596	308	3	chaudhary	chaudhary	PROPN
bibechana-74596	308	4	et	et	PROPN
bibechana-74596	308	5	al./	al./	ADV
bibechana-74596	308	6	bibechana	bibechana	PROPN
bibechana-74596	308	7	22	22	NUM
bibechana-74596	308	8	(	(	PUNCT
bibechana-74596	308	9	2025	2025	NUM
bibechana-74596	308	10	)	)	PUNCT
bibechana-74596	308	11	205	205	NUM
bibechana-74596	308	12	-	-	SYM
bibechana-74596	308	13	214	214	NUM
bibechana-74596	308	14	214	214	NUM
bibechana-74596	308	15	[	[	X
bibechana-74596	308	16	31	31	NUM
bibechana-74596	308	17	]	]	X
bibechana-74596	308	18	n.	n.	PROPN
bibechana-74596	308	19	b.	b.	PROPN
bibechana-74596	308	20	colthup	colthup	PROPN
bibechana-74596	308	21	,	,	PUNCT
bibechana-74596	308	22	l.	l.	PROPN
bibechana-74596	308	23	h.	h.	PROPN
bibechana-74596	308	24	daly	daly	PROPN
bibechana-74596	308	25	,	,	PUNCT
bibechana-74596	308	26	and	and	CCONJ
bibechana-74596	308	27	s.	s.	PROPN
bibechana-74596	308	28	e.	e.	PROPN
bibechana-74596	308	29	wiberley	wiberley	PROPN
bibechana-74596	308	30	.	.	PUNCT
bibechana-74596	309	1	introduction	introduction	NOUN
bibechana-74596	309	2	to	to	ADP
bibechana-74596	309	3	infrared	infrared	NOUN
bibechana-74596	309	4	and	and	CCONJ
bibechana-74596	309	5	raman	raman	NOUN
bibechana-74596	309	6	spectroscopy	spectroscopy	NOUN
bibechana-74596	309	7	.	.	PUNCT
bibechana-74596	310	1	academic	academic	ADJ
bibechana-74596	310	2	press	press	NOUN
bibechana-74596	310	3	,	,	PUNCT
bibechana-74596	310	4	new	new	PROPN
bibechana-74596	310	5	york	york	PROPN
bibechana-74596	310	6	,	,	PUNCT
bibechana-74596	310	7	1990	1990	NUM
bibechana-74596	310	8	.	.	PUNCT
bibechana-74596	311	1	[	[	X
bibechana-74596	311	2	32	32	NUM
bibechana-74596	311	3	]	]	PUNCT
bibechana-74596	311	4	j.	j.	PROPN
bibechana-74596	311	5	s.	s.	PROPN
bibechana-74596	311	6	murray	murray	PROPN
bibechana-74596	311	7	and	and	CCONJ
bibechana-74596	311	8	p.	p.	NOUN
bibechana-74596	311	9	politzer	politzer	NOUN
bibechana-74596	311	10	.	.	PUNCT
bibechana-74596	312	1	electrostatic	electrostatic	ADJ
bibechana-74596	312	2	potentials	potential	NOUN
bibechana-74596	312	3	:	:	PUNCT
bibechana-74596	312	4	chemical	chemical	NOUN
bibechana-74596	312	5	applications	application	NOUN
bibechana-74596	312	6	.	.	PUNCT
bibechana-74596	313	1	in	in	ADP
bibechana-74596	313	2	encyclopedia	encyclopedia	NOUN
bibechana-74596	313	3	of	of	ADP
bibechana-74596	313	4	computational	computational	ADJ
bibechana-74596	313	5	chemistry	chemistry	NOUN
bibechana-74596	313	6	.	.	PUNCT
bibechana-74596	314	1	wiley	wiley	PROPN
bibechana-74596	314	2	,	,	PUNCT
bibechana-74596	314	3	1	1	NUM
bibechana-74596	314	4	edition	edition	NOUN
bibechana-74596	314	5	,	,	PUNCT
bibechana-74596	314	6	1998	1998	NUM
bibechana-74596	314	7	.	.	PUNCT
bibechana-74596	315	1	[	[	X
bibechana-74596	315	2	33	33	NUM
bibechana-74596	315	3	]	]	PUNCT
bibechana-74596	315	4	t.	t.	PROPN
bibechana-74596	315	5	r.	r.	PROPN
bibechana-74596	315	6	paneru	paneru	PROPN
bibechana-74596	315	7	,	,	PUNCT
bibechana-74596	315	8	m.	m.	PROPN
bibechana-74596	315	9	k.	k.	PROPN
bibechana-74596	315	10	chaudhary	chaudhary	PROPN
bibechana-74596	315	11	,	,	PUNCT
bibechana-74596	315	12	p.	p.	PROPN
bibechana-74596	315	13	tandon	tandon	PROPN
bibechana-74596	315	14	,	,	PUNCT
bibechana-74596	315	15	t.	t.	PROPN
bibechana-74596	315	16	chaudhary	chaudhary	PROPN
bibechana-74596	315	17	,	,	PUNCT
bibechana-74596	315	18	and	and	CCONJ
bibechana-74596	315	19	b.	b.	PROPN
bibechana-74596	315	20	d.	d.	PROPN
bibechana-74596	315	21	joshi	joshi	PROPN
bibechana-74596	315	22	.	.	PUNCT
bibechana-74596	316	1	theoretical	theoretical	ADJ
bibechana-74596	316	2	study	study	NOUN
bibechana-74596	316	3	on	on	ADP
bibechana-74596	316	4	molecular	molecular	ADJ
bibechana-74596	316	5	stability	stability	NOUN
bibechana-74596	316	6	,	,	PUNCT
bibechana-74596	316	7	reactivity	reactivity	NOUN
bibechana-74596	316	8	,	,	PUNCT
bibechana-74596	316	9	and	and	CCONJ
bibechana-74596	316	10	drug	drug	NOUN
bibechana-74596	316	11	potential	potential	NOUN
bibechana-74596	316	12	of	of	ADP
bibechana-74596	316	13	cirsilineol	cirsilineol	NOUN
bibechana-74596	316	14	from	from	ADP
bibechana-74596	316	15	dft	dft	PROPN
bibechana-74596	316	16	and	and	CCONJ
bibechana-74596	316	17	molecular	molecular	ADJ
bibechana-74596	316	18	docking	docking	NOUN
bibechana-74596	316	19	methods	method	NOUN
bibechana-74596	316	20	.	.	PUNCT
bibechana-74596	317	1	chem	chem	NOUN
bibechana-74596	317	2	.	.	PUNCT
bibechana-74596	318	1	phys	phy	NOUN
bibechana-74596	318	2	.	.	PUNCT
bibechana-74596	319	1	impact	impact	NOUN
bibechana-74596	319	2	,	,	PUNCT
bibechana-74596	319	3	8:100641	8:100641	NUM
bibechana-74596	319	4	,	,	PUNCT
bibechana-74596	319	5	2024	2024	NUM
bibechana-74596	319	6	.	.	PUNCT
bibechana-74596	320	1	[	[	X
bibechana-74596	320	2	34	34	NUM
bibechana-74596	320	3	]	]	PUNCT
bibechana-74596	320	4	m.	m.	NOUN
bibechana-74596	320	5	k.	k.	PROPN
bibechana-74596	320	6	chaudhary	chaudhary	PROPN
bibechana-74596	320	7	,	,	PUNCT
bibechana-74596	320	8	s.	s.	PROPN
bibechana-74596	320	9	pandey	pandey	PROPN
bibechana-74596	320	10	,	,	PUNCT
bibechana-74596	320	11	and	and	CCONJ
bibechana-74596	320	12	p.	p.	PROPN
bibechana-74596	320	13	tandon	tandon	PROPN
bibechana-74596	320	14	.	.	PUNCT
bibechana-74596	320	15	frontier	frontier	NOUN
bibechana-74596	320	16	molecular	molecular	ADJ
bibechana-74596	320	17	orbitals	orbital	NOUN
bibechana-74596	320	18	,	,	PUNCT
bibechana-74596	320	19	mep	mep	PROPN
bibechana-74596	320	20	,	,	PUNCT
bibechana-74596	320	21	nbo	nbo	PROPN
bibechana-74596	320	22	,	,	PUNCT
bibechana-74596	320	23	and	and	CCONJ
bibechana-74596	320	24	vibrational	vibrational	ADJ
bibechana-74596	320	25	spectra	spectra	NOUN
bibechana-74596	320	26	of	of	ADP
bibechana-74596	320	27	mesalamine	mesalamine	NOUN
bibechana-74596	320	28	:	:	PUNCT
bibechana-74596	320	29	a	a	DET
bibechana-74596	320	30	first	first	ADJ
bibechana-74596	320	31	principle	principle	ADJ
bibechana-74596	320	32	study	study	NOUN
bibechana-74596	320	33	from	from	ADP
bibechana-74596	320	34	dft	dft	PROPN
bibechana-74596	320	35	and	and	CCONJ
bibechana-74596	320	36	molecular	molecular	ADJ
bibechana-74596	320	37	docking	docking	NOUN
bibechana-74596	320	38	approaches	approach	NOUN
bibechana-74596	320	39	.	.	PUNCT
bibechana-74596	321	1	scientific	scientific	ADJ
bibechana-74596	321	2	world	world	NOUN
bibechana-74596	321	3	,	,	PUNCT
bibechana-74596	321	4	17(17):27–36	17(17):27–36	NUM
bibechana-74596	321	5	,	,	PUNCT
bibechana-74596	321	6	2024	2024	NUM
bibechana-74596	321	7	.	.	PUNCT
bibechana-74596	322	1	[	[	X
bibechana-74596	322	2	35	35	NUM
bibechana-74596	322	3	]	]	PUNCT
bibechana-74596	322	4	a.	a.	NOUN
bibechana-74596	322	5	mandru	mandru	PROPN
bibechana-74596	322	6	,	,	PUNCT
bibechana-74596	322	7	j.	j.	PROPN
bibechana-74596	322	8	mane	mane	PROPN
bibechana-74596	322	9	,	,	PUNCT
bibechana-74596	322	10	and	and	CCONJ
bibechana-74596	322	11	r.	r.	PROPN
bibechana-74596	322	12	mandapati	mandapati	PROPN
bibechana-74596	322	13	.	.	PUNCT
bibechana-74596	323	1	a	a	DET
bibechana-74596	323	2	review	review	NOUN
bibechana-74596	323	3	on	on	ADP
bibechana-74596	323	4	uv	uv	NOUN
bibechana-74596	323	5	-	-	PUNCT
bibechana-74596	323	6	visible	visible	ADJ
bibechana-74596	323	7	spectroscopy	spectroscopy	NOUN
bibechana-74596	323	8	.	.	PUNCT
bibechana-74596	324	1	journal	journal	PROPN
bibechana-74596	324	2	of	of	ADP
bibechana-74596	324	3	pharma	pharma	PROPN
bibechana-74596	324	4	insights	insight	NOUN
bibechana-74596	324	5	and	and	CCONJ
bibechana-74596	324	6	research	research	NOUN
bibechana-74596	324	7	,	,	PUNCT
bibechana-74596	324	8	1(2):91–96	1(2):91–96	NUM
bibechana-74596	324	9	,	,	PUNCT
bibechana-74596	324	10	2023	2023	NUM
bibechana-74596	324	11	.	.	PUNCT
bibechana-74596	325	1	[	[	X
bibechana-74596	325	2	36	36	NUM
bibechana-74596	325	3	]	]	PUNCT
bibechana-74596	325	4	a.	a.	NOUN
bibechana-74596	325	5	ciesielska	ciesielska	PROPN
bibechana-74596	325	6	,	,	PUNCT
bibechana-74596	325	7	j.	j.	PROPN
bibechana-74596	325	8	brzeski	brzeski	PROPN
bibechana-74596	325	9	,	,	PUNCT
bibechana-74596	325	10	d.	d.	PROPN
bibechana-74596	325	11	zarzeczańska	zarzeczańska	PROPN
bibechana-74596	325	12	,	,	PUNCT
bibechana-74596	325	13	m.	m.	NOUN
bibechana-74596	325	14	stasiuk	stasiuk	PROPN
bibechana-74596	325	15	,	,	PUNCT
bibechana-74596	325	16	m.	m.	NOUN
bibechana-74596	325	17	makowski	makowski	PROPN
bibechana-74596	325	18	,	,	PUNCT
bibechana-74596	325	19	and	and	CCONJ
bibechana-74596	325	20	s.	s.	PROPN
bibechana-74596	325	21	brzeska	brzeska	PROPN
bibechana-74596	325	22	.	.	PUNCT
bibechana-74596	326	1	exploring	explore	VERB
bibechana-74596	326	2	the	the	DET
bibechana-74596	326	3	interaction	interaction	NOUN
bibechana-74596	326	4	of	of	ADP
bibechana-74596	326	5	biologically	biologically	ADV
bibechana-74596	326	6	active	active	ADJ
bibechana-74596	326	7	compounds	compound	NOUN
bibechana-74596	326	8	with	with	ADP
bibechana-74596	326	9	dna	dna	PROPN
bibechana-74596	326	10	through	through	ADP
bibechana-74596	326	11	the	the	DET
bibechana-74596	326	12	application	application	NOUN
bibechana-74596	326	13	of	of	ADP
bibechana-74596	326	14	the	the	DET
bibechana-74596	326	15	switchsense	switchsense	NOUN
bibechana-74596	326	16	technique	technique	NOUN
bibechana-74596	326	17	,	,	PUNCT
bibechana-74596	326	18	uv	uv	INTJ
bibechana-74596	326	19	–	–	PUNCT
bibechana-74596	326	20	vis	vis	X
bibechana-74596	326	21	spectroscopy	spectroscopy	NOUN
bibechana-74596	326	22	,	,	PUNCT
bibechana-74596	326	23	and	and	CCONJ
bibechana-74596	326	24	computational	computational	ADJ
bibechana-74596	326	25	methods	method	NOUN
bibechana-74596	326	26	.	.	PUNCT
bibechana-74596	327	1	spectrochimica	spectrochimica	PROPN
bibechana-74596	327	2	acta	acta	PROPN
bibechana-74596	327	3	part	part	PROPN
bibechana-74596	327	4	a	a	DET
bibechana-74596	327	5	:	:	PUNCT
bibechana-74596	327	6	molecular	molecular	ADJ
bibechana-74596	327	7	and	and	CCONJ
bibechana-74596	327	8	biomolecular	biomolecular	ADJ
bibechana-74596	327	9	spectroscopy	spectroscopy	NOUN
bibechana-74596	327	10	,	,	PUNCT
bibechana-74596	327	11	316:124313	316:124313	NUM
bibechana-74596	327	12	,	,	PUNCT
bibechana-74596	327	13	2024	2024	NUM
bibechana-74596	327	14	.	.	PUNCT
bibechana-74596	328	1	[	[	X
bibechana-74596	328	2	37	37	NUM
bibechana-74596	328	3	]	]	X
bibechana-74596	328	4	c.	c.	PROPN
bibechana-74596	328	5	s.	s.	PROPN
bibechana-74596	328	6	abraham	abraham	PROPN
bibechana-74596	328	7	,	,	PUNCT
bibechana-74596	328	8	s.	s.	PROPN
bibechana-74596	328	9	muthu	muthu	PROPN
bibechana-74596	328	10	,	,	PUNCT
bibechana-74596	328	11	j.	j.	PROPN
bibechana-74596	328	12	c.	c.	PROPN
bibechana-74596	328	13	prasana	prasana	PROPN
bibechana-74596	328	14	,	,	PUNCT
bibechana-74596	328	15	s.	s.	PROPN
bibechana-74596	328	16	armaković	armaković	PROPN
bibechana-74596	328	17	,	,	PUNCT
bibechana-74596	328	18	s.	s.	PROPN
bibechana-74596	328	19	j.	j.	PROPN
bibechana-74596	328	20	armaković	armaković	PROPN
bibechana-74596	328	21	,	,	PUNCT
bibechana-74596	328	22	and	and	CCONJ
bibechana-74596	328	23	b.	b.	PROPN
bibechana-74596	328	24	geoffrey	geoffrey	PROPN
bibechana-74596	328	25	.	.	PUNCT
bibechana-74596	329	1	computational	computational	ADJ
bibechana-74596	329	2	evaluation	evaluation	NOUN
bibechana-74596	329	3	of	of	ADP
bibechana-74596	329	4	the	the	DET
bibechana-74596	329	5	reactivity	reactivity	NOUN
bibechana-74596	329	6	and	and	CCONJ
bibechana-74596	329	7	pharmaceutical	pharmaceutical	NOUN
bibechana-74596	329	8	potential	potential	NOUN
bibechana-74596	329	9	of	of	ADP
bibechana-74596	329	10	an	an	DET
bibechana-74596	329	11	organic	organic	ADJ
bibechana-74596	329	12	amine	amine	NOUN
bibechana-74596	329	13	:	:	PUNCT
bibechana-74596	329	14	a	a	DET
bibechana-74596	329	15	dft	dft	PROPN
bibechana-74596	329	16	,	,	PUNCT
bibechana-74596	329	17	molecular	molecular	ADJ
bibechana-74596	329	18	dynamics	dynamic	NOUN
bibechana-74596	329	19	simulations	simulation	NOUN
bibechana-74596	329	20	and	and	CCONJ
bibechana-74596	329	21	molecular	molecular	ADJ
bibechana-74596	329	22	docking	docking	NOUN
bibechana-74596	329	23	approach	approach	NOUN
bibechana-74596	329	24	.	.	PUNCT
bibechana-74596	330	1	spectrochim	spectrochim	PROPN
bibechana-74596	330	2	.	.	PUNCT
bibechana-74596	331	1	acta	acta	PROPN
bibechana-74596	331	2	a	a	DET
bibechana-74596	331	3	mol	mol	PROPN
bibechana-74596	331	4	.	.	PROPN
bibechana-74596	331	5	biomol	biomol	PROPN
bibechana-74596	331	6	.	.	PUNCT
bibechana-74596	332	1	spectrosc	spectrosc	PROPN
bibechana-74596	332	2	.	.	PUNCT
bibechana-74596	333	1	,	,	PUNCT
bibechana-74596	333	2	222:117188	222:117188	NUM
bibechana-74596	333	3	,	,	PUNCT
bibechana-74596	333	4	2019	2019	NUM
bibechana-74596	333	5	.	.	PUNCT
bibechana-74596	334	1	[	[	X
bibechana-74596	334	2	38	38	NUM
bibechana-74596	334	3	]	]	PUNCT
bibechana-74596	334	4	a.	a.	NOUN
bibechana-74596	334	5	singhal	singhal	PROPN
bibechana-74596	334	6	,	,	PUNCT
bibechana-74596	334	7	u.	u.	PROPN
bibechana-74596	334	8	saini	saini	PROPN
bibechana-74596	334	9	,	,	PUNCT
bibechana-74596	334	10	b.	b.	PROPN
bibechana-74596	334	11	chopra	chopra	PROPN
bibechana-74596	334	12	,	,	PUNCT
bibechana-74596	334	13	a.	a.	PROPN
bibechana-74596	334	14	k.	k.	PROPN
bibechana-74596	334	15	dhingra	dhingra	PROPN
bibechana-74596	334	16	,	,	PUNCT
bibechana-74596	334	17	a.	a.	NOUN
bibechana-74596	334	18	jain	jain	PROPN
bibechana-74596	334	19	,	,	PUNCT
bibechana-74596	334	20	and	and	CCONJ
bibechana-74596	334	21	j.	j.	PROPN
bibechana-74596	334	22	chaudhary	chaudhary	PROPN
bibechana-74596	334	23	.	.	PUNCT
bibechana-74596	335	1	uv	uv	NOUN
bibechana-74596	335	2	–	–	PUNCT
bibechana-74596	335	3	visible	visible	ADJ
bibechana-74596	335	4	spectroscopy	spectroscopy	NOUN
bibechana-74596	335	5	:	:	PUNCT
bibechana-74596	335	6	a	a	DET
bibechana-74596	335	7	review	review	NOUN
bibechana-74596	335	8	on	on	ADP
bibechana-74596	335	9	its	its	PRON
bibechana-74596	335	10	pharmaceutical	pharmaceutical	NOUN
bibechana-74596	335	11	and	and	CCONJ
bibechana-74596	335	12	bio	bio	ADV
bibechana-74596	335	13	-	-	ADJ
bibechana-74596	335	14	allied	ally	VERB
bibechana-74596	335	15	sciences	science	NOUN
bibechana-74596	335	16	applications	application	NOUN
bibechana-74596	335	17	.	.	PUNCT
bibechana-74596	336	1	curr	curr	PROPN
bibechana-74596	336	2	.	.	PUNCT
bibechana-74596	337	1	pharm	pharm	PROPN
bibechana-74596	337	2	.	.	PUNCT
bibechana-74596	338	1	anal	anal	PROPN
bibechana-74596	338	2	.	.	PUNCT
bibechana-74596	338	3	,	,	PUNCT
bibechana-74596	338	4	20(3):161–177	20(3):161–177	PROPN
bibechana-74596	338	5	,	,	PUNCT
bibechana-74596	338	6	2024	2024	NUM
bibechana-74596	338	7	.	.	PUNCT
bibechana-74596	339	1	[	[	X
bibechana-74596	339	2	39	39	NUM
bibechana-74596	339	3	]	]	PUNCT
bibechana-74596	339	4	m.	m.	NOUN
bibechana-74596	339	5	k.	k.	PROPN
bibechana-74596	339	6	chaudhary	chaudhary	PROPN
bibechana-74596	339	7	,	,	PUNCT
bibechana-74596	339	8	p.	p.	PROPN
bibechana-74596	339	9	prajapati	prajapati	PROPN
bibechana-74596	339	10	,	,	PUNCT
bibechana-74596	339	11	k.	k.	PROPN
bibechana-74596	339	12	srivastava	srivastava	PROPN
bibechana-74596	339	13	,	,	PUNCT
bibechana-74596	339	14	k.	k.	PROPN
bibechana-74596	339	15	f.	f.	PROPN
bibechana-74596	339	16	silva	silva	PROPN
bibechana-74596	339	17	,	,	PUNCT
bibechana-74596	339	18	b.	b.	PROPN
bibechana-74596	339	19	d.	d.	PROPN
bibechana-74596	339	20	joshi	joshi	PROPN
bibechana-74596	339	21	,	,	PUNCT
bibechana-74596	339	22	p.	p.	PROPN
bibechana-74596	339	23	tandon	tandon	PROPN
bibechana-74596	339	24	,	,	PUNCT
bibechana-74596	339	25	and	and	CCONJ
bibechana-74596	339	26	a.	a.	NOUN
bibechana-74596	339	27	p.	p.	NOUN
bibechana-74596	339	28	ayala	ayala	PROPN
bibechana-74596	339	29	.	.	PUNCT
bibechana-74596	340	1	molecular	molecular	ADJ
bibechana-74596	340	2	interactions	interaction	NOUN
bibechana-74596	340	3	and	and	CCONJ
bibechana-74596	340	4	vibrational	vibrational	ADJ
bibechana-74596	340	5	properties	property	NOUN
bibechana-74596	340	6	of	of	ADP
bibechana-74596	340	7	ricobendazole	ricobendazole	NOUN
bibechana-74596	340	8	:	:	PUNCT
bibechana-74596	340	9	insights	insight	NOUN
bibechana-74596	340	10	from	from	ADP
bibechana-74596	340	11	quantum	quantum	ADJ
bibechana-74596	340	12	chemical	chemical	NOUN
bibechana-74596	340	13	calculation	calculation	NOUN
bibechana-74596	340	14	and	and	CCONJ
bibechana-74596	340	15	spectroscopic	spectroscopic	ADJ
bibechana-74596	340	16	methods	method	NOUN
bibechana-74596	340	17	.	.	PUNCT
bibechana-74596	341	1	j.	j.	PROPN
bibechana-74596	341	2	mol	mol	PROPN
bibechana-74596	341	3	.	.	PROPN
bibechana-74596	341	4	struct	struct	NOUN
bibechana-74596	341	5	.	.	PUNCT
bibechana-74596	341	6	,	,	PUNCT
bibechana-74596	341	7	1230:129889	1230:129889	NUM
bibechana-74596	341	8	,	,	PUNCT
bibechana-74596	341	9	2021	2021	NUM
bibechana-74596	341	10	.	.	PUNCT
bibechana-74596	342	1	[	[	X
bibechana-74596	342	2	40	40	NUM
bibechana-74596	342	3	]	]	PUNCT
bibechana-74596	342	4	m.	m.	NOUN
bibechana-74596	342	5	k.	k.	PROPN
bibechana-74596	342	6	chaudhary	chaudhary	PROPN
bibechana-74596	342	7	,	,	PUNCT
bibechana-74596	342	8	a.	a.	PROPN
bibechana-74596	342	9	srivastava	srivastava	PROPN
bibechana-74596	342	10	,	,	PUNCT
bibechana-74596	342	11	k.	k.	PROPN
bibechana-74596	342	12	k.	k.	PROPN
bibechana-74596	342	13	singh	singh	PROPN
bibechana-74596	342	14	,	,	PUNCT
bibechana-74596	342	15	p.	p.	NOUN
bibechana-74596	342	16	tandon	tandon	PROPN
bibechana-74596	342	17	,	,	PUNCT
bibechana-74596	342	18	and	and	CCONJ
bibechana-74596	342	19	b.	b.	PROPN
bibechana-74596	342	20	d.	d.	PROPN
bibechana-74596	342	21	joshi	joshi	PROPN
bibechana-74596	342	22	.	.	PUNCT
bibechana-74596	343	1	computational	computational	ADJ
bibechana-74596	343	2	evaluation	evaluation	NOUN
bibechana-74596	343	3	on	on	ADP
bibechana-74596	343	4	molecular	molecular	ADJ
bibechana-74596	343	5	stability	stability	NOUN
bibechana-74596	343	6	,	,	PUNCT
bibechana-74596	343	7	reactivity	reactivity	NOUN
bibechana-74596	343	8	,	,	PUNCT
bibechana-74596	343	9	and	and	CCONJ
bibechana-74596	343	10	drug	drug	NOUN
bibechana-74596	343	11	potential	potential	NOUN
bibechana-74596	343	12	of	of	ADP
bibechana-74596	343	13	frovatriptan	frovatriptan	ADJ
bibechana-74596	343	14	from	from	ADP
bibechana-74596	343	15	dft	dft	PROPN
bibechana-74596	343	16	and	and	CCONJ
bibechana-74596	343	17	molecular	molecular	ADJ
bibechana-74596	343	18	docking	docking	NOUN
bibechana-74596	343	19	approach	approach	NOUN
bibechana-74596	343	20	.	.	PUNCT
bibechana-74596	344	1	comput	comput	NOUN
bibechana-74596	344	2	.	.	PUNCT
bibechana-74596	345	1	theor	theor	PROPN
bibechana-74596	345	2	.	.	PUNCT
bibechana-74596	345	3	chem	chem	PROPN
bibechana-74596	345	4	.	.	PUNCT
bibechana-74596	345	5	,	,	PUNCT
bibechana-74596	345	6	1191:113031	1191:113031	NUM
bibechana-74596	345	7	,	,	PUNCT
bibechana-74596	345	8	2020	2020	NUM
bibechana-74596	345	9	.	.	PUNCT
bibechana-74596	346	1	[	[	X
bibechana-74596	346	2	41	41	NUM
bibechana-74596	346	3	]	]	PUNCT
bibechana-74596	346	4	a.	a.	NOUN
bibechana-74596	346	5	daina	daina	PROPN
bibechana-74596	346	6	,	,	PUNCT
bibechana-74596	346	7	o.	o.	PROPN
bibechana-74596	346	8	michielin	michielin	PROPN
bibechana-74596	346	9	,	,	PUNCT
bibechana-74596	346	10	and	and	CCONJ
bibechana-74596	346	11	v.	v.	ADP
bibechana-74596	346	12	zoete	zoete	PROPN
bibechana-74596	346	13	.	.	PUNCT
bibechana-74596	347	1	swisstargetprediction	swisstargetprediction	PROPN
bibechana-74596	347	2	:	:	PUNCT
bibechana-74596	347	3	updated	update	VERB
bibechana-74596	347	4	data	datum	NOUN
bibechana-74596	347	5	and	and	CCONJ
bibechana-74596	347	6	new	new	ADJ
bibechana-74596	347	7	features	feature	NOUN
bibechana-74596	347	8	for	for	ADP
bibechana-74596	347	9	efficient	efficient	ADJ
bibechana-74596	347	10	prediction	prediction	NOUN
bibechana-74596	347	11	of	of	ADP
bibechana-74596	347	12	protein	protein	NOUN
bibechana-74596	347	13	targets	target	NOUN
bibechana-74596	347	14	of	of	ADP
bibechana-74596	347	15	small	small	ADJ
bibechana-74596	347	16	molecules	molecule	NOUN
bibechana-74596	347	17	.	.	PUNCT
bibechana-74596	348	1	nucleic	nucleic	ADJ
bibechana-74596	348	2	acids	acid	NOUN
bibechana-74596	348	3	res	re	NOUN
bibechana-74596	348	4	.	.	PUNCT
bibechana-74596	348	5	,	,	PUNCT
bibechana-74596	348	6	47(w1):w357	47(w1):w357	NUM
bibechana-74596	348	7	–	–	PUNCT
bibechana-74596	348	8	w364	w364	PROPN
bibechana-74596	348	9	,	,	PUNCT
bibechana-74596	348	10	2019	2019	NUM
bibechana-74596	348	11	.	.	PUNCT
bibechana-74596	349	1	[	[	X
bibechana-74596	349	2	42	42	NUM
bibechana-74596	349	3	]	]	PUNCT
bibechana-74596	349	4	p.	p.	PROPN
bibechana-74596	349	5	w.	w.	PROPN
bibechana-74596	349	6	rose	rise	VERB
bibechana-74596	349	7	,	,	PUNCT
bibechana-74596	349	8	b.	b.	PROPN
bibechana-74596	349	9	beran	beran	PROPN
bibechana-74596	349	10	,	,	PUNCT
bibechana-74596	349	11	c.	c.	PROPN
bibechana-74596	349	12	bi	bi	PROPN
bibechana-74596	349	13	,	,	PUNCT
bibechana-74596	349	14	w.	w.	PROPN
bibechana-74596	349	15	f.	f.	PROPN
bibechana-74596	349	16	bluhm	bluhm	PROPN
bibechana-74596	349	17	,	,	PUNCT
bibechana-74596	349	18	d.	d.	PROPN
bibechana-74596	349	19	dimitropoulos	dimitropoulos	PROPN
bibechana-74596	349	20	,	,	PUNCT
bibechana-74596	349	21	d.	d.	PROPN
bibechana-74596	349	22	s.	s.	PROPN
bibechana-74596	349	23	goodsell	goodsell	PROPN
bibechana-74596	349	24	,	,	PUNCT
bibechana-74596	349	25	a.	a.	NOUN
bibechana-74596	349	26	prlić	prlić	PROPN
bibechana-74596	349	27	,	,	PUNCT
bibechana-74596	349	28	m.	m.	NOUN
bibechana-74596	349	29	quesada	quesada	PROPN
bibechana-74596	349	30	,	,	PUNCT
bibechana-74596	349	31	g.	g.	PROPN
bibechana-74596	349	32	b.	b.	PROPN
bibechana-74596	349	33	quinn	quinn	PROPN
bibechana-74596	349	34	,	,	PUNCT
bibechana-74596	349	35	j.	j.	PROPN
bibechana-74596	349	36	d.	d.	PROPN
bibechana-74596	349	37	westbrook	westbrook	PROPN
bibechana-74596	349	38	,	,	PUNCT
bibechana-74596	349	39	j.	j.	PROPN
bibechana-74596	349	40	young	young	PROPN
bibechana-74596	349	41	,	,	PUNCT
bibechana-74596	349	42	b.	b.	PROPN
bibechana-74596	349	43	yukich	yukich	PROPN
bibechana-74596	349	44	,	,	PUNCT
bibechana-74596	349	45	c.	c.	PROPN
bibechana-74596	349	46	zardecki	zardecki	PROPN
bibechana-74596	349	47	,	,	PUNCT
bibechana-74596	349	48	h.	h.	PROPN
bibechana-74596	349	49	m.	m.	PROPN
bibechana-74596	349	50	berman	berman	PROPN
bibechana-74596	349	51	,	,	PUNCT
bibechana-74596	349	52	and	and	CCONJ
bibechana-74596	349	53	p.	p.	PROPN
bibechana-74596	349	54	e.	e.	PROPN
bibechana-74596	349	55	bourne	bourne	PROPN
bibechana-74596	349	56	.	.	PUNCT
bibechana-74596	350	1	the	the	DET
bibechana-74596	350	2	rcsb	rcsb	ADJ
bibechana-74596	350	3	protein	protein	NOUN
bibechana-74596	350	4	data	datum	NOUN
bibechana-74596	350	5	bank	bank	NOUN
bibechana-74596	350	6	:	:	PUNCT
bibechana-74596	350	7	redesigned	redesign	VERB
bibechana-74596	350	8	web	web	NOUN
bibechana-74596	350	9	site	site	NOUN
bibechana-74596	350	10	and	and	CCONJ
bibechana-74596	350	11	web	web	NOUN
bibechana-74596	350	12	services	service	NOUN
bibechana-74596	350	13	.	.	PUNCT
bibechana-74596	351	1	nucleic	nucleic	ADJ
bibechana-74596	351	2	acids	acid	NOUN
bibechana-74596	351	3	res	re	NOUN
bibechana-74596	351	4	.	.	PUNCT
bibechana-74596	351	5	,	,	PUNCT
bibechana-74596	351	6	39	39	NUM
bibechana-74596	351	7	:	:	PUNCT
bibechana-74596	351	8	d392	d392	NUM
bibechana-74596	351	9	–	–	PUNCT
bibechana-74596	351	10	d401	d401	NUM
bibechana-74596	351	11	,	,	PUNCT
bibechana-74596	351	12	2011	2011	NUM
bibechana-74596	351	13	.	.	PUNCT
bibechana-74596	352	1	[	[	X
bibechana-74596	352	2	43	43	NUM
bibechana-74596	352	3	]	]	PUNCT
bibechana-74596	352	4	m.	m.	NOUN
bibechana-74596	352	5	k.	k.	PROPN
bibechana-74596	352	6	chaudhary	chaudhary	PROPN
bibechana-74596	352	7	,	,	PUNCT
bibechana-74596	352	8	b.	b.	PROPN
bibechana-74596	352	9	maharjan	maharjan	PROPN
bibechana-74596	352	10	,	,	PUNCT
bibechana-74596	352	11	g.	g.	PROPN
bibechana-74596	352	12	s.	s.	PROPN
bibechana-74596	352	13	verma	verma	PROPN
bibechana-74596	352	14	,	,	PUNCT
bibechana-74596	352	15	and	and	CCONJ
bibechana-74596	352	16	r.	r.	PROPN
bibechana-74596	352	17	k.	k.	PROPN
bibechana-74596	352	18	shukla	shukla	PROPN
bibechana-74596	352	19	.	.	PUNCT
bibechana-74596	353	1	hydrogen	hydrogen	NOUN
bibechana-74596	353	2	bonding	bonding	NOUN
bibechana-74596	353	3	and	and	CCONJ
bibechana-74596	353	4	reactivity	reactivity	NOUN
bibechana-74596	353	5	behavior	behavior	NOUN
bibechana-74596	353	6	of	of	ADP
bibechana-74596	353	7	guanosine-5’-diphosphate	guanosine-5’-diphosphate	PROPN
bibechana-74596	353	8	from	from	ADP
bibechana-74596	353	9	dft	dft	PROPN
bibechana-74596	353	10	and	and	CCONJ
bibechana-74596	353	11	molecular	molecular	ADJ
bibechana-74596	353	12	docking	docking	NOUN
bibechana-74596	353	13	approach	approach	NOUN
bibechana-74596	353	14	.	.	PUNCT
bibechana-74596	354	1	api	api	PROPN
bibechana-74596	354	2	j.	j.	PROPN
bibechana-74596	354	3	sci	sci	PROPN
bibechana-74596	354	4	.	.	PROPN
bibechana-74596	354	5	,	,	PUNCT
bibechana-74596	354	6	1:84–91	1:84–91	NUM
bibechana-74596	354	7	,	,	PUNCT
bibechana-74596	354	8	2024	2024	NUM
bibechana-74596	354	9	.	.	PUNCT
bibechana-74596	355	1	introduction	introduction	NOUN
bibechana-74596	355	2	materials	material	NOUN
bibechana-74596	355	3	and	and	CCONJ
bibechana-74596	355	4	methods	method	NOUN
bibechana-74596	355	5	results	result	NOUN
bibechana-74596	355	6	and	and	CCONJ
bibechana-74596	355	7	discussion	discussion	NOUN
bibechana-74596	355	8	atoms	atom	NOUN
bibechana-74596	355	9	in	in	ADP
bibechana-74596	355	10	molecules	molecule	NOUN
bibechana-74596	355	11	(	(	PUNCT
bibechana-74596	355	12	aim	aim	NOUN
bibechana-74596	355	13	)	)	PUNCT
bibechana-74596	355	14	non	non	ADJ
bibechana-74596	355	15	-	-	ADJ
bibechana-74596	355	16	covalent	covalent	ADJ
bibechana-74596	355	17	interaction	interaction	NOUN
bibechana-74596	355	18	analysis	analysis	NOUN
bibechana-74596	355	19	spectroscopic	spectroscopic	ADJ
bibechana-74596	355	20	studies	study	NOUN
bibechana-74596	355	21	c	c	NOUN
bibechana-74596	355	22	=	=	NOUN
bibechana-74596	355	23	o	o	X
bibechana-74596	355	24	and	and	CCONJ
bibechana-74596	355	25	p	p	X
bibechana-74596	355	26	=	=	NOUN
bibechana-74596	355	27	o	o	NOUN
bibechana-74596	355	28	vibrations	vibration	NOUN
bibechana-74596	355	29	c−h	c−h	NOUN
bibechana-74596	355	30	vibration	vibration	VERB
bibechana-74596	355	31	electrostatic	electrostatic	ADJ
bibechana-74596	355	32	potential	potential	ADJ
bibechana-74596	355	33	surface	surface	NOUN
bibechana-74596	355	34	(	(	PUNCT
bibechana-74596	355	35	esp	esp	ADJ
bibechana-74596	355	36	)	)	PUNCT
bibechana-74596	355	37	analysis	analysis	NOUN
bibechana-74596	355	38	mulliken	mulliken	NOUN
bibechana-74596	355	39	charge	charge	NOUN
bibechana-74596	355	40	analysis	analysis	NOUN
bibechana-74596	355	41	uv	uv	NOUN
bibechana-74596	355	42	-	-	PUNCT
bibechana-74596	355	43	visible	visible	ADJ
bibechana-74596	355	44	spectra	spectra	ADJ
bibechana-74596	355	45	analysis	analysis	NOUN
bibechana-74596	355	46	molecular	molecular	ADJ
bibechana-74596	355	47	docking	docking	NOUN
bibechana-74596	355	48	conclusion	conclusion	NOUN