id	sid	tid	token	lemma	pos
eurjchem-322	1	1	untitled	untitle	VERB
eurjchem-322	1	2	european	european	PROPN
eurjchem-322	1	3	journal	journal	PROPN
eurjchem-322	1	4	of	of	ADP
eurjchem-322	1	5	chemistry	chemistry	NOUN
eurjchem-322	1	6	2	2	NUM
eurjchem-322	1	7	(	(	PUNCT
eurjchem-322	1	8	1	1	NUM
eurjchem-322	1	9	)	)	PUNCT
eurjchem-322	1	10	(	(	PUNCT
eurjchem-322	1	11	2011	2011	NUM
eurjchem-322	1	12	)	)	PUNCT
eurjchem-322	1	13	1‐7	1‐7	NUM
eurjchem-322	1	14	european	european	ADJ
eurjchem-322	1	15	journal	journal	PROPN
eurjchem-322	1	16	of	of	ADP
eurjchem-322	1	17	chemistry	chemistry	NOUN
eurjchem-322	1	18	issn	issn	PROPN
eurjchem-322	1	19	2153‐2249	2153‐2249	PROPN
eurjchem-322	1	20	(	(	PUNCT
eurjchem-322	1	21	print	print	NOUN
eurjchem-322	1	22	)	)	PUNCT
eurjchem-322	1	23	/	/	SYM
eurjchem-322	1	24	issn	issn	PROPN
eurjchem-322	1	25	2153‐2257	2153‐2257	NUM
eurjchem-322	1	26	(	(	PUNCT
eurjchem-322	1	27	online	online	ADJ
eurjchem-322	1	28	)	)	PUNCT
eurjchem-322	1	29			NOUN
eurjchem-322	1	30	2011	2011	NUM
eurjchem-322	1	31	eurjchem	eurjchem	PROPN
eurjchem-322	1	32	doi:10.5155	doi:10.5155	PROPN
eurjchem-322	1	33	/	/	SYM
eurjchem-322	1	34	eurjchem.2.1.1‐7.322	eurjchem.2.1.1‐7.322	NOUN
eurjchem-322	1	35	european	european	PROPN
eurjchem-322	1	36	journal	journal	PROPN
eurjchem-322	1	37	of	of	ADP
eurjchem-322	1	38	chemistry	chemistry	PROPN
eurjchem-322	1	39	journal	journal	PROPN
eurjchem-322	1	40	homepage	homepage	NOUN
eurjchem-322	1	41	:	:	PUNCT
eurjchem-322	1	42	www.eurjchem.com	www.eurjchem.com	X
eurjchem-322	1	43	structural	structural	ADJ
eurjchem-322	1	44	and	and	CCONJ
eurjchem-322	1	45	electronic	electronic	ADJ
eurjchem-322	1	46	effects	effect	NOUN
eurjchem-322	1	47	of	of	ADP
eurjchem-322	1	48	the	the	DET
eurjchem-322	1	49	c2	c2	PROPN
eurjchem-322	1	50	’	'	PUNCT
eurjchem-322	1	51	substituent	substituent	NOUN
eurjchem-322	1	52	in	in	ADP
eurjchem-322	1	53	1,4	1,4	NUM
eurjchem-322	1	54	–	–	PUNCT
eurjchem-322	1	55	benzodiazepines	benzodiazepine	VERB
eurjchem-322	1	56	lígia	lígia	PROPN
eurjchem-322	1	57	rebelo	rebelo	PROPN
eurjchem-322	1	58	gomesa	gomesa	NOUN
eurjchem-322	1	59	,	,	PUNCT
eurjchem-322	1	60	b	b	PROPN
eurjchem-322	1	61	,	,	PUNCT
eurjchem-322	1	62	luís	luís	PROPN
eurjchem-322	1	63	manuel	manuel	PROPN
eurjchem-322	1	64	neves	neves	PROPN
eurjchem-322	1	65	belchior	belchior	PROPN
eurjchem-322	1	66	faia	faia	PROPN
eurjchem-322	1	67	santosc	santosc	PROPN
eurjchem-322	1	68	,	,	PUNCT
eurjchem-322	1	69	josé	josé	PROPN
eurjchem-322	1	70	belezaa	belezaa	PROPN
eurjchem-322	1	71	and	and	CCONJ
eurjchem-322	1	72	john	john	PROPN
eurjchem-322	1	73	nicolson	nicolson	PROPN
eurjchem-322	1	74	lowd	lowd	PROPN
eurjchem-322	1	75	,	,	PUNCT
eurjchem-322	1	76	*	*	PUNCT
eurjchem-322	1	77	a	a	DET
eurjchem-322	1	78	ciageb‐faculdade	ciageb‐faculdade	NOUN
eurjchem-322	1	79	de	de	X
eurjchem-322	1	80	ciências	ciências	PROPN
eurjchem-322	1	81	de	de	X
eurjchem-322	1	82	saúde	saúde	PROPN
eurjchem-322	1	83	,	,	PUNCT
eurjchem-322	1	84	escola	escola	PROPN
eurjchem-322	1	85	superior	superior	PROPN
eurjchem-322	1	86	de	de	X
eurjchem-322	1	87	saúde	saúde	PROPN
eurjchem-322	1	88	da	da	PROPN
eurjchem-322	1	89	ufp	ufp	PROPN
eurjchem-322	1	90	,	,	PUNCT
eurjchem-322	1	91	universidade	universidade	PROPN
eurjchem-322	1	92	fernando	fernando	PROPN
eurjchem-322	1	93	pessoa	pessoa	PROPN
eurjchem-322	1	94	,	,	PUNCT
eurjchem-322	1	95	porto	porto	PROPN
eurjchem-322	1	96	,	,	PUNCT
eurjchem-322	1	97	p‐4200‐150	p‐4200‐150	PROPN
eurjchem-322	1	98	,	,	PUNCT
eurjchem-322	1	99	portugal	portugal	PROPN
eurjchem-322	1	100	b	b	PROPN
eurjchem-322	1	101	requimte	requimte	NOUN
eurjchem-322	1	102	,	,	PUNCT
eurjchem-322	1	103	departamento	departamento	PROPN
eurjchem-322	1	104	de	de	PROPN
eurjchem-322	1	105	química	química	PROPN
eurjchem-322	1	106	e	e	PROPN
eurjchem-322	1	107	bioquímica	bioquímica	PROPN
eurjchem-322	1	108	,	,	PUNCT
eurjchem-322	1	109	faculdade	faculdade	PROPN
eurjchem-322	1	110	de	de	PROPN
eurjchem-322	1	111	ciências	ciências	PROPN
eurjchem-322	1	112	,	,	PUNCT
eurjchem-322	1	113	universidade	universidade	PROPN
eurjchem-322	1	114	do	do	AUX
eurjchem-322	1	115	porto	porto	PROPN
eurjchem-322	1	116	,	,	PUNCT
eurjchem-322	1	117	porto	porto	PROPN
eurjchem-322	1	118	,	,	PUNCT
eurjchem-322	1	119	p‐4169‐007	p‐4169‐007	NOUN
eurjchem-322	1	120	,	,	PUNCT
eurjchem-322	1	121	portugal	portugal	PROPN
eurjchem-322	1	122	c	c	PROPN
eurjchem-322	1	123	centro	centro	PROPN
eurjchem-322	1	124	de	de	PROPN
eurjchem-322	1	125	investigação	investigação	PROPN
eurjchem-322	1	126	em	em	PROPN
eurjchem-322	1	127	química	química	PROPN
eurjchem-322	1	128	,	,	PUNCT
eurjchem-322	1	129	departamento	departamento	PROPN
eurjchem-322	1	130	de	de	PROPN
eurjchem-322	1	131	química	química	PROPN
eurjchem-322	1	132	e	e	PROPN
eurjchem-322	1	133	bioquímica	bioquímica	PROPN
eurjchem-322	1	134	,	,	PUNCT
eurjchem-322	1	135	faculdade	faculdade	PROPN
eurjchem-322	1	136	de	de	PROPN
eurjchem-322	1	137	ciências	ciências	PROPN
eurjchem-322	1	138	,	,	PUNCT
eurjchem-322	1	139	universidade	universidade	PROPN
eurjchem-322	1	140	do	do	AUX
eurjchem-322	1	141	porto	porto	PROPN
eurjchem-322	1	142	,	,	PUNCT
eurjchem-322	1	143	porto	porto	PROPN
eurjchem-322	1	144	,	,	PUNCT
eurjchem-322	1	145	p‐4169‐007	p‐4169‐007	NOUN
eurjchem-322	1	146	,	,	PUNCT
eurjchem-322	1	147	portugal	portugal	PROPN
eurjchem-322	2	1	d	d	PROPN
eurjchem-322	2	2	department	department	PROPN
eurjchem-322	2	3	of	of	ADP
eurjchem-322	2	4	chemistry	chemistry	NOUN
eurjchem-322	2	5	,	,	PUNCT
eurjchem-322	2	6	university	university	PROPN
eurjchem-322	2	7	of	of	ADP
eurjchem-322	2	8	aberdeen	aberdeen	PROPN
eurjchem-322	2	9	,	,	PUNCT
eurjchem-322	2	10	ab24	ab24	PROPN
eurjchem-322	2	11	3ue	3ue	NOUN
eurjchem-322	2	12	,	,	PUNCT
eurjchem-322	2	13	scotland	scotland	NOUN
eurjchem-322	2	14	*	*	PUNCT
eurjchem-322	2	15	corresponding	correspond	VERB
eurjchem-322	2	16	author	author	NOUN
eurjchem-322	2	17	at	at	ADP
eurjchem-322	2	18	:	:	PUNCT
eurjchem-322	2	19	department	department	NOUN
eurjchem-322	2	20	of	of	ADP
eurjchem-322	2	21	chemistry	chemistry	NOUN
eurjchem-322	2	22	,	,	PUNCT
eurjchem-322	2	23	university	university	PROPN
eurjchem-322	2	24	of	of	ADP
eurjchem-322	2	25	aberdeen	aberdeen	PROPN
eurjchem-322	2	26	,	,	PUNCT
eurjchem-322	2	27	ab24	ab24	PROPN
eurjchem-322	2	28	3ue	3ue	NOUN
eurjchem-322	2	29	,	,	PUNCT
eurjchem-322	2	30	scotland	scotland	NOUN
eurjchem-322	2	31	.	.	PUNCT
eurjchem-322	3	1	tel	tel	PROPN
eurjchem-322	3	2	.	.	PUNCT
eurjchem-322	3	3	:	:	PUNCT
eurjchem-322	4	1	+441382542709	+441382542709	NOUN
eurjchem-322	4	2	;	;	PUNCT
eurjchem-322	4	3	fax	fax	NOUN
eurjchem-322	4	4	:	:	PUNCT
eurjchem-322	4	5	+441382542709	+441382542709	PROPN
eurjchem-322	4	6	.	.	PUNCT
eurjchem-322	4	7	e‐mail	e‐mail	PUNCT
eurjchem-322	5	1	address	address	NOUN
eurjchem-322	5	2	:	:	PUNCT
eurjchem-322	5	3	jnlow111@gmail.com	jnlow111@gmail.com	X
eurjchem-322	5	4	(	(	PUNCT
eurjchem-322	5	5	j.n	j.n	PROPN
eurjchem-322	5	6	.	.	PROPN
eurjchem-322	5	7	low	low	PROPN
eurjchem-322	5	8	)	)	PUNCT
eurjchem-322	5	9	.	.	PUNCT
eurjchem-322	6	1	article	article	NOUN
eurjchem-322	6	2	information	information	PROPN
eurjchem-322	6	3	abstract	abstract	ADV
eurjchem-322	6	4	received	receive	VERB
eurjchem-322	6	5	:	:	PUNCT
eurjchem-322	6	6	17	17	NUM
eurjchem-322	6	7	november	november	PROPN
eurjchem-322	6	8	2010	2010	NUM
eurjchem-322	6	9	received	receive	VERB
eurjchem-322	6	10	in	in	ADP
eurjchem-322	6	11	revised	revise	VERB
eurjchem-322	6	12	form	form	NOUN
eurjchem-322	6	13	:	:	PUNCT
eurjchem-322	6	14	08	08	NUM
eurjchem-322	6	15	january	january	PROPN
eurjchem-322	6	16	2011	2011	NUM
eurjchem-322	6	17	accepted	accept	VERB
eurjchem-322	6	18	:	:	PUNCT
eurjchem-322	6	19	11	11	NUM
eurjchem-322	6	20	january	january	PROPN
eurjchem-322	6	21	2011	2011	NUM
eurjchem-322	6	22	online	online	ADV
eurjchem-322	6	23	:	:	PUNCT
eurjchem-322	6	24	31	31	NUM
eurjchem-322	6	25	march	march	NOUN
eurjchem-322	6	26	2011	2011	NUM
eurjchem-322	6	27	keywords	keyword	NOUN
eurjchem-322	6	28	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	6	29	are	be	AUX
eurjchem-322	6	30	drugs	drug	NOUN
eurjchem-322	6	31	used	use	VERB
eurjchem-322	6	32	for	for	ADP
eurjchem-322	6	33	treatment	treatment	NOUN
eurjchem-322	6	34	of	of	ADP
eurjchem-322	6	35	several	several	ADJ
eurjchem-322	6	36	central	central	ADJ
eurjchem-322	6	37	nervous	nervous	ADJ
eurjchem-322	6	38	system	system	NOUN
eurjchem-322	6	39	disorders	disorder	NOUN
eurjchem-322	6	40	,	,	PUNCT
eurjchem-322	6	41	such	such	ADJ
eurjchem-322	6	42	as	as	ADP
eurjchem-322	6	43	anxiety	anxiety	NOUN
eurjchem-322	6	44	and	and	CCONJ
eurjchem-322	6	45	sleep	sleep	NOUN
eurjchem-322	6	46	.	.	PUNCT
eurjchem-322	7	1	in	in	ADP
eurjchem-322	7	2	spite	spite	NOUN
eurjchem-322	7	3	of	of	ADP
eurjchem-322	7	4	their	their	PRON
eurjchem-322	7	5	wide	wide	ADJ
eurjchem-322	7	6	and	and	CCONJ
eurjchem-322	7	7	popular	popular	ADJ
eurjchem-322	7	8	usage	usage	NOUN
eurjchem-322	7	9	in	in	ADP
eurjchem-322	7	10	clinics	clinic	NOUN
eurjchem-322	7	11	,	,	PUNCT
eurjchem-322	7	12	the	the	DET
eurjchem-322	7	13	mechanism	mechanism	NOUN
eurjchem-322	7	14	explaining	explain	VERB
eurjchem-322	7	15	why	why	SCONJ
eurjchem-322	7	16	a	a	DET
eurjchem-322	7	17	certain	certain	ADJ
eurjchem-322	7	18	pharmacological	pharmacological	ADJ
eurjchem-322	7	19	activity	activity	NOUN
eurjchem-322	7	20	is	be	AUX
eurjchem-322	7	21	superimposed	superimpose	VERB
eurjchem-322	7	22	onto	onto	ADP
eurjchem-322	7	23	another	another	PRON
eurjchem-322	7	24	for	for	ADP
eurjchem-322	7	25	a	a	DET
eurjchem-322	7	26	given	give	VERB
eurjchem-322	7	27	benzodiazepine	benzodiazepine	NOUN
eurjchem-322	7	28	remains	remain	VERB
eurjchem-322	7	29	unclear	unclear	ADJ
eurjchem-322	7	30	.	.	PUNCT
eurjchem-322	8	1	the	the	DET
eurjchem-322	8	2	knowledge	knowledge	NOUN
eurjchem-322	8	3	of	of	ADP
eurjchem-322	8	4	the	the	DET
eurjchem-322	8	5	conformation	conformation	NOUN
eurjchem-322	8	6	of	of	ADP
eurjchem-322	8	7	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	8	8	and	and	CCONJ
eurjchem-322	8	9	their	their	PRON
eurjchem-322	8	10	electronic	electronic	ADJ
eurjchem-322	8	11	charge	charge	NOUN
eurjchem-322	8	12	distribution	distribution	NOUN
eurjchem-322	8	13	at	at	ADP
eurjchem-322	8	14	molecular	molecular	ADJ
eurjchem-322	8	15	surfaces	surface	NOUN
eurjchem-322	8	16	may	may	AUX
eurjchem-322	8	17	give	give	VERB
eurjchem-322	8	18	new	new	ADJ
eurjchem-322	8	19	insights	insight	NOUN
eurjchem-322	8	20	into	into	ADP
eurjchem-322	8	21	the	the	DET
eurjchem-322	8	22	pharmaco‐benzodiazepine	pharmaco‐benzodiazepine	PROPN
eurjchem-322	8	23	receptor	receptor	NOUN
eurjchem-322	8	24	interactions	interaction	NOUN
eurjchem-322	8	25	,	,	PUNCT
eurjchem-322	8	26	contributing	contribute	VERB
eurjchem-322	8	27	to	to	ADP
eurjchem-322	8	28	the	the	DET
eurjchem-322	8	29	improvement	improvement	NOUN
eurjchem-322	8	30	of	of	ADP
eurjchem-322	8	31	the	the	DET
eurjchem-322	8	32	existing	exist	VERB
eurjchem-322	8	33	models	model	NOUN
eurjchem-322	8	34	.	.	PUNCT
eurjchem-322	9	1	in	in	ADP
eurjchem-322	9	2	the	the	DET
eurjchem-322	9	3	present	present	ADJ
eurjchem-322	9	4	study	study	NOUN
eurjchem-322	9	5	,	,	PUNCT
eurjchem-322	9	6	the	the	DET
eurjchem-322	9	7	solid	solid	ADJ
eurjchem-322	9	8	state	state	NOUN
eurjchem-322	9	9	geometric	geometric	ADJ
eurjchem-322	9	10	and	and	CCONJ
eurjchem-322	9	11	conformational	conformational	ADJ
eurjchem-322	9	12	parameters	parameter	NOUN
eurjchem-322	9	13	of	of	ADP
eurjchem-322	9	14	the	the	DET
eurjchem-322	9	15	available	available	ADJ
eurjchem-322	9	16	x‐ray	x‐ray	PROPN
eurjchem-322	9	17	benzodiazepine	benzodiazepine	PROPN
eurjchem-322	9	18	structures	structure	NOUN
eurjchem-322	9	19	were	be	AUX
eurjchem-322	9	20	analyzed	analyze	VERB
eurjchem-322	9	21	and	and	CCONJ
eurjchem-322	9	22	reviewed	review	VERB
eurjchem-322	9	23	.	.	PUNCT
eurjchem-322	10	1	the	the	DET
eurjchem-322	10	2	electronic	electronic	ADJ
eurjchem-322	10	3	features	feature	NOUN
eurjchem-322	10	4	of	of	ADP
eurjchem-322	10	5	two	two	NUM
eurjchem-322	10	6	groups	group	NOUN
eurjchem-322	10	7	of	of	ADP
eurjchem-322	10	8	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	10	9	with	with	ADP
eurjchem-322	10	10	different	different	ADJ
eurjchem-322	10	11	substituents	substituent	NOUN
eurjchem-322	10	12	at	at	ADP
eurjchem-322	10	13	c7	c7	PROPN
eurjchem-322	10	14	and	and	CCONJ
eurjchem-322	10	15	c2	c2	PROPN
eurjchem-322	10	16	’	'	PUNCT
eurjchem-322	10	17	positions	position	NOUN
eurjchem-322	10	18	were	be	AUX
eurjchem-322	10	19	studied	study	VERB
eurjchem-322	10	20	by	by	ADP
eurjchem-322	10	21	dft	dft	PROPN
eurjchem-322	10	22	quantum	quantum	PROPN
eurjchem-322	10	23	chemical	chemical	NOUN
eurjchem-322	10	24	calculations	calculation	NOUN
eurjchem-322	10	25	.	.	PUNCT
eurjchem-322	11	1	the	the	DET
eurjchem-322	11	2	conformations	conformation	NOUN
eurjchem-322	11	3	of	of	ADP
eurjchem-322	11	4	the	the	DET
eurjchem-322	11	5	molecules	molecule	NOUN
eurjchem-322	11	6	with	with	ADP
eurjchem-322	11	7	optimized	optimize	VERB
eurjchem-322	11	8	geometry	geometry	NOUN
eurjchem-322	11	9	were	be	AUX
eurjchem-322	11	10	also	also	ADV
eurjchem-322	11	11	analyzed	analyze	VERB
eurjchem-322	11	12	.	.	PUNCT
eurjchem-322	12	1	the	the	DET
eurjchem-322	12	2	relative	relative	ADJ
eurjchem-322	12	3	charge	charge	NOUN
eurjchem-322	12	4	distribution	distribution	NOUN
eurjchem-322	12	5	around	around	ADP
eurjchem-322	12	6	the	the	DET
eurjchem-322	12	7	benzodiazepinic	benzodiazepinic	PROPN
eurjchem-322	12	8	rings	ring	NOUN
eurjchem-322	12	9	and	and	CCONJ
eurjchem-322	12	10	electrostatic	electrostatic	ADJ
eurjchem-322	12	11	potential	potential	NOUN
eurjchem-322	12	12	mapped	map	VERB
eurjchem-322	12	13	on	on	ADP
eurjchem-322	12	14	electronic	electronic	ADJ
eurjchem-322	12	15	density	density	NOUN
eurjchem-322	12	16	surfaces	surface	NOUN
eurjchem-322	12	17	were	be	AUX
eurjchem-322	12	18	obtained	obtain	VERB
eurjchem-322	12	19	.	.	PUNCT
eurjchem-322	13	1	the	the	DET
eurjchem-322	13	2	ring	ring	NOUN
eurjchem-322	13	3	geometric	geometric	ADJ
eurjchem-322	13	4	parameters	parameter	NOUN
eurjchem-322	13	5	for	for	ADP
eurjchem-322	13	6	the	the	DET
eurjchem-322	13	7	diazepine	diazepine	NOUN
eurjchem-322	13	8	moiety	moiety	NOUN
eurjchem-322	13	9	in	in	ADP
eurjchem-322	13	10	1,4‐	1,4‐	NUM
eurjchem-322	13	11	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	13	12	,	,	PUNCT
eurjchem-322	13	13	do	do	AUX
eurjchem-322	13	14	not	not	PART
eurjchem-322	13	15	vary	vary	VERB
eurjchem-322	13	16	significantly	significantly	ADV
eurjchem-322	13	17	except	except	SCONJ
eurjchem-322	13	18	for	for	ADP
eurjchem-322	13	19	a	a	DET
eurjchem-322	13	20	few	few	ADJ
eurjchem-322	13	21	compounds	compound	NOUN
eurjchem-322	13	22	in	in	ADP
eurjchem-322	13	23	which	which	PRON
eurjchem-322	13	24	steric	steric	ADJ
eurjchem-322	13	25	and/or	and/or	CCONJ
eurjchem-322	13	26	intermolecular	intermolecular	ADJ
eurjchem-322	13	27	interactions	interaction	NOUN
eurjchem-322	13	28	play	play	VERB
eurjchem-322	13	29	a	a	DET
eurjchem-322	13	30	part	part	NOUN
eurjchem-322	13	31	.	.	PUNCT
eurjchem-322	14	1	the	the	DET
eurjchem-322	14	2	benzodiazepine	benzodiazepine	NOUN
eurjchem-322	14	3	ring	ring	NOUN
eurjchem-322	14	4	assumes	assume	VERB
eurjchem-322	14	5	a	a	DET
eurjchem-322	14	6	pseudo‐	pseudo‐	ADJ
eurjchem-322	14	7	symmetrical	symmetrical	ADJ
eurjchem-322	14	8	boat	boat	NOUN
eurjchem-322	14	9	conformation	conformation	NOUN
eurjchem-322	14	10	and	and	CCONJ
eurjchem-322	14	11	the	the	DET
eurjchem-322	14	12	torsion	torsion	NOUN
eurjchem-322	14	13	angle	angle	NOUN
eurjchem-322	14	14	around	around	ADP
eurjchem-322	14	15	the	the	DET
eurjchem-322	14	16	c5‐ph	c5‐ph	NOUN
eurjchem-322	14	17	bond	bond	NOUN
eurjchem-322	14	18	varies	vary	VERB
eurjchem-322	14	19	depending	depend	VERB
eurjchem-322	14	20	on	on	ADP
eurjchem-322	14	21	the	the	DET
eurjchem-322	14	22	nature	nature	NOUN
eurjchem-322	14	23	of	of	ADP
eurjchem-322	14	24	the	the	DET
eurjchem-322	14	25	substituent	substituent	NOUN
eurjchem-322	14	26	on	on	ADP
eurjchem-322	14	27	c2	c2	PROPN
eurjchem-322	14	28	’	'	PUNCT
eurjchem-322	14	29	.	.	PUNCT
eurjchem-322	15	1	also	also	ADV
eurjchem-322	15	2	,	,	PUNCT
eurjchem-322	15	3	the	the	DET
eurjchem-322	15	4	presence	presence	NOUN
eurjchem-322	15	5	of	of	ADP
eurjchem-322	15	6	the	the	DET
eurjchem-322	15	7	nitro	nitro	NOUN
eurjchem-322	15	8	or	or	CCONJ
eurjchem-322	15	9	chloride	chloride	NOUN
eurjchem-322	15	10	substituent	substituent	NOUN
eurjchem-322	15	11	on	on	ADP
eurjchem-322	15	12	the	the	DET
eurjchem-322	15	13	c7	c7	PROPN
eurjchem-322	15	14	position	position	NOUN
eurjchem-322	15	15	and	and	CCONJ
eurjchem-322	15	16	the	the	DET
eurjchem-322	15	17	presence	presence	NOUN
eurjchem-322	15	18	of	of	ADP
eurjchem-322	15	19	a	a	DET
eurjchem-322	15	20	fluorine	fluorine	NOUN
eurjchem-322	15	21	atom	atom	NOUN
eurjchem-322	15	22	on	on	ADP
eurjchem-322	15	23	the	the	DET
eurjchem-322	15	24	c2	c2	PROPN
eurjchem-322	15	25	’	'	PUNCT
eurjchem-322	15	26	position	position	NOUN
eurjchem-322	15	27	significantly	significantly	ADV
eurjchem-322	15	28	alter	alter	VERB
eurjchem-322	15	29	the	the	DET
eurjchem-322	15	30	relative	relative	ADJ
eurjchem-322	15	31	charge	charge	NOUN
eurjchem-322	15	32	distributions	distribution	NOUN
eurjchem-322	15	33	at	at	ADP
eurjchem-322	15	34	the	the	DET
eurjchem-322	15	35	attached	attached	ADJ
eurjchem-322	15	36	carbon	carbon	NOUN
eurjchem-322	15	37	atoms	atom	NOUN
eurjchem-322	15	38	and	and	CCONJ
eurjchem-322	15	39	the	the	DET
eurjchem-322	15	40	topology	topology	NOUN
eurjchem-322	15	41	of	of	ADP
eurjchem-322	15	42	the	the	DET
eurjchem-322	15	43	surface	surface	NOUN
eurjchem-322	15	44	electrostatic	electrostatic	ADJ
eurjchem-322	15	45	potential	potential	NOUN
eurjchem-322	15	46	.	.	PUNCT
eurjchem-322	16	1	benzodiazepine	benzodiazepine	PROPN
eurjchem-322	16	2	dft	dft	PROPN
eurjchem-322	16	3	structure	structure	NOUN
eurjchem-322	16	4	characterization	characterization	NOUN
eurjchem-322	16	5	x‐ray	x‐ray	PROPN
eurjchem-322	16	6	fluoro	fluoro	ADJ
eurjchem-322	16	7	isoelectronic	isoelectronic	ADJ
eurjchem-322	16	8	potential	potential	ADJ
eurjchem-322	16	9	surfaces	surface	NOUN
eurjchem-322	16	10	1	1	NUM
eurjchem-322	16	11	.	.	PUNCT
eurjchem-322	17	1	introduction	introduction	NOUN
eurjchem-322	17	2	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	17	3	(	(	PUNCT
eurjchem-322	17	4	bzs	bzs	NOUN
eurjchem-322	17	5	)	)	PUNCT
eurjchem-322	17	6	,	,	PUNCT
eurjchem-322	17	7	a	a	DET
eurjchem-322	17	8	group	group	NOUN
eurjchem-322	17	9	of	of	ADP
eurjchem-322	17	10	drugs	drug	NOUN
eurjchem-322	17	11	widely	widely	ADV
eurjchem-322	17	12	used	use	VERB
eurjchem-322	17	13	to	to	PART
eurjchem-322	17	14	treat	treat	VERB
eurjchem-322	17	15	anxiety	anxiety	NOUN
eurjchem-322	17	16	and	and	CCONJ
eurjchem-322	17	17	sleep	sleep	NOUN
eurjchem-322	17	18	disorders	disorder	NOUN
eurjchem-322	17	19	,	,	PUNCT
eurjchem-322	17	20	are	be	AUX
eurjchem-322	17	21	generally	generally	ADV
eurjchem-322	17	22	represented	represent	VERB
eurjchem-322	17	23	as	as	ADP
eurjchem-322	17	24	in	in	ADP
eurjchem-322	17	25	figure	figure	NOUN
eurjchem-322	17	26	1	1	NUM
eurjchem-322	17	27	.	.	PUNCT
eurjchem-322	18	1	some	some	PRON
eurjchem-322	18	2	of	of	ADP
eurjchem-322	18	3	them	they	PRON
eurjchem-322	18	4	also	also	ADV
eurjchem-322	18	5	show	show	VERB
eurjchem-322	18	6	remarkable	remarkable	ADJ
eurjchem-322	18	7	activity	activity	NOUN
eurjchem-322	18	8	as	as	ADP
eurjchem-322	18	9	anticonvulsants	anticonvulsant	NOUN
eurjchem-322	18	10	and	and	CCONJ
eurjchem-322	18	11	myorelaxants	myorelaxant	NOUN
eurjchem-322	18	12	.	.	PUNCT
eurjchem-322	19	1	anxiety	anxiety	NOUN
eurjchem-322	19	2	disorders	disorder	NOUN
eurjchem-322	19	3	(	(	PUNCT
eurjchem-322	19	4	such	such	ADJ
eurjchem-322	19	5	as	as	ADP
eurjchem-322	19	6	generalized	generalized	ADJ
eurjchem-322	19	7	anxiety	anxiety	NOUN
eurjchem-322	19	8	disorder	disorder	NOUN
eurjchem-322	19	9	–	–	PUNCT
eurjchem-322	19	10	gad	gad	NOUN
eurjchem-322	19	11	,	,	PUNCT
eurjchem-322	19	12	social	social	ADJ
eurjchem-322	19	13	phobia	phobia	NOUN
eurjchem-322	19	14	–	–	PUNCT
eurjchem-322	19	15	sp	sp	NOUN
eurjchem-322	19	16	,	,	PUNCT
eurjchem-322	19	17	social	social	ADJ
eurjchem-322	19	18	anxiety	anxiety	NOUN
eurjchem-322	19	19	disorder	disorder	NOUN
eurjchem-322	19	20	–	–	PUNCT
eurjchem-322	19	21	sad	sad	ADJ
eurjchem-322	19	22	,	,	PUNCT
eurjchem-322	19	23	panic	panic	NOUN
eurjchem-322	19	24	disorder	disorder	NOUN
eurjchem-322	19	25	–	–	PUNCT
eurjchem-322	19	26	pd	pd	NOUN
eurjchem-322	19	27	,	,	PUNCT
eurjchem-322	19	28	obsessive	obsessive	ADJ
eurjchem-322	19	29	–	–	PUNCT
eurjchem-322	19	30	compulsive	compulsive	ADJ
eurjchem-322	19	31	disorder	disorder	NOUN
eurjchem-322	19	32	–	–	PUNCT
eurjchem-322	19	33	ocd	ocd	NOUN
eurjchem-322	19	34	,	,	PUNCT
eurjchem-322	19	35	post	post	ADJ
eurjchem-322	19	36	–	–	ADJ
eurjchem-322	19	37	traumatic	traumatic	ADJ
eurjchem-322	19	38	stress	stress	NOUN
eurjchem-322	19	39	disorder	disorder	NOUN
eurjchem-322	19	40	–	–	PUNCT
eurjchem-322	19	41	ptsd	ptsd	NOUN
eurjchem-322	19	42	,	,	PUNCT
eurjchem-322	19	43	and	and	CCONJ
eurjchem-322	19	44	specific	specific	ADJ
eurjchem-322	19	45	phobias	phobia	NOUN
eurjchem-322	19	46	)	)	PUNCT
eurjchem-322	19	47	are	be	AUX
eurjchem-322	19	48	the	the	DET
eurjchem-322	19	49	most	most	ADV
eurjchem-322	19	50	common	common	ADJ
eurjchem-322	19	51	psychiatric	psychiatric	ADJ
eurjchem-322	19	52	diseases	disease	NOUN
eurjchem-322	19	53	with	with	ADP
eurjchem-322	19	54	incidence	incidence	NOUN
eurjchem-322	19	55	rates	rate	NOUN
eurjchem-322	19	56	of	of	ADP
eurjchem-322	19	57	around	around	ADV
eurjchem-322	19	58	16	16	NUM
eurjchem-322	19	59	%	%	NOUN
eurjchem-322	19	60	to	to	PART
eurjchem-322	19	61	25	25	NUM
eurjchem-322	19	62	%	%	NOUN
eurjchem-322	19	63	[	[	X
eurjchem-322	19	64	1‐3	1‐3	NOUN
eurjchem-322	19	65	]	]	PUNCT
eurjchem-322	19	66	.	.	PUNCT
eurjchem-322	20	1	in	in	ADP
eurjchem-322	20	2	fact	fact	NOUN
eurjchem-322	20	3	,	,	PUNCT
eurjchem-322	20	4	epidemiological	epidemiological	ADJ
eurjchem-322	20	5	studies	study	NOUN
eurjchem-322	20	6	have	have	AUX
eurjchem-322	20	7	shown	show	VERB
eurjchem-322	20	8	that	that	SCONJ
eurjchem-322	20	9	anxiety	anxiety	NOUN
eurjchem-322	20	10	is	be	AUX
eurjchem-322	20	11	the	the	DET
eurjchem-322	20	12	second	second	ADJ
eurjchem-322	20	13	leading	leading	ADJ
eurjchem-322	20	14	cause	cause	NOUN
eurjchem-322	20	15	of	of	ADP
eurjchem-322	20	16	depression	depression	NOUN
eurjchem-322	20	17	resulting	result	VERB
eurjchem-322	20	18	in	in	ADP
eurjchem-322	20	19	a	a	DET
eurjchem-322	20	20	large	large	ADJ
eurjchem-322	20	21	amount	amount	NOUN
eurjchem-322	20	22	of	of	ADP
eurjchem-322	20	23	work	work	NOUN
eurjchem-322	20	24	absenteeism	absenteeism	NOUN
eurjchem-322	20	25	and	and	CCONJ
eurjchem-322	20	26	reduced	reduce	VERB
eurjchem-322	20	27	productivity	productivity	NOUN
eurjchem-322	21	1	[	[	X
eurjchem-322	21	2	2	2	NUM
eurjchem-322	21	3	]	]	PUNCT
eurjchem-322	21	4	.	.	PUNCT
eurjchem-322	22	1	despite	despite	SCONJ
eurjchem-322	22	2	their	their	PRON
eurjchem-322	22	3	robust	robust	ADJ
eurjchem-322	22	4	anxiolytic	anxiolytic	ADJ
eurjchem-322	22	5	effect	effect	NOUN
eurjchem-322	22	6	,	,	PUNCT
eurjchem-322	22	7	most	most	ADJ
eurjchem-322	22	8	of	of	ADP
eurjchem-322	22	9	the	the	DET
eurjchem-322	22	10	clinical	clinical	ADJ
eurjchem-322	22	11	trials	trial	NOUN
eurjchem-322	22	12	with	with	ADP
eurjchem-322	22	13	bzs	bzs	NOUN
eurjchem-322	22	14	were	be	AUX
eurjchem-322	22	15	conducted	conduct	VERB
eurjchem-322	22	16	before	before	SCONJ
eurjchem-322	22	17	the	the	DET
eurjchem-322	22	18	current	current	ADJ
eurjchem-322	22	19	classification	classification	NOUN
eurjchem-322	22	20	for	for	ADP
eurjchem-322	22	21	the	the	DET
eurjchem-322	22	22	anxiety	anxiety	NOUN
eurjchem-322	22	23	disease	disease	NOUN
eurjchem-322	22	24	disorders	disorder	NOUN
eurjchem-322	22	25	came	come	VERB
eurjchem-322	22	26	about	about	ADP
eurjchem-322	22	27	.	.	PUNCT
eurjchem-322	23	1	as	as	ADP
eurjchem-322	23	2	a	a	DET
eurjchem-322	23	3	result	result	NOUN
eurjchem-322	23	4	,	,	PUNCT
eurjchem-322	23	5	knowledge	knowledge	NOUN
eurjchem-322	23	6	of	of	ADP
eurjchem-322	23	7	their	their	PRON
eurjchem-322	23	8	effectiveness	effectiveness	NOUN
eurjchem-322	23	9	in	in	ADP
eurjchem-322	23	10	anxiety	anxiety	NOUN
eurjchem-322	23	11	disorders	disorder	NOUN
eurjchem-322	23	12	may	may	AUX
eurjchem-322	23	13	be	be	AUX
eurjchem-322	23	14	incomplete	incomplete	ADJ
eurjchem-322	23	15	and	and	CCONJ
eurjchem-322	23	16	discrete	discrete	ADJ
eurjchem-322	23	17	.	.	PUNCT
eurjchem-322	24	1	in	in	ADP
eurjchem-322	24	2	clinical	clinical	ADJ
eurjchem-322	24	3	practice	practice	NOUN
eurjchem-322	24	4	,	,	PUNCT
eurjchem-322	24	5	bzs	bzs	NOUN
eurjchem-322	24	6	are	be	AUX
eurjchem-322	24	7	used	use	VERB
eurjchem-322	24	8	in	in	ADP
eurjchem-322	24	9	generalized	generalized	ADJ
eurjchem-322	24	10	anxiety	anxiety	NOUN
eurjchem-322	24	11	disorder	disorder	NOUN
eurjchem-322	24	12	with	with	ADP
eurjchem-322	24	13	diazepam	diazepam	NOUN
eurjchem-322	24	14	(	(	PUNCT
eurjchem-322	24	15	1.a	1.a	NUM
eurjchem-322	24	16	)	)	PUNCT
eurjchem-322	24	17	as	as	ADP
eurjchem-322	24	18	the	the	DET
eurjchem-322	24	19	most	most	ADV
eurjchem-322	24	20	popular	popular	ADJ
eurjchem-322	24	21	choice	choice	NOUN
eurjchem-322	25	1	[	[	X
eurjchem-322	25	2	1‐2	1‐2	NOUN
eurjchem-322	25	3	]	]	PUNCT
eurjchem-322	25	4	.	.	PUNCT
eurjchem-322	26	1	response	response	NOUN
eurjchem-322	26	2	rates	rate	NOUN
eurjchem-322	26	3	to	to	ADP
eurjchem-322	26	4	therapy	therapy	NOUN
eurjchem-322	26	5	are	be	AUX
eurjchem-322	26	6	high	high	ADJ
eurjchem-322	26	7	and	and	CCONJ
eurjchem-322	26	8	the	the	DET
eurjchem-322	26	9	beginning	beginning	NOUN
eurjchem-322	26	10	of	of	ADP
eurjchem-322	26	11	the	the	DET
eurjchem-322	26	12	therapeutic	therapeutic	ADJ
eurjchem-322	26	13	effect	effect	NOUN
eurjchem-322	26	14	is	be	AUX
eurjchem-322	26	15	immediate	immediate	ADJ
eurjchem-322	26	16	.	.	PUNCT
eurjchem-322	27	1	alprazolan	alprazolan	PROPN
eurjchem-322	27	2	and	and	CCONJ
eurjchem-322	27	3	clonazepam	clonazepam	PROPN
eurjchem-322	27	4	(	(	PUNCT
eurjchem-322	27	5	2.b	2.b	NUM
eurjchem-322	27	6	)	)	PUNCT
eurjchem-322	27	7	are	be	AUX
eurjchem-322	27	8	the	the	DET
eurjchem-322	27	9	only	only	ADJ
eurjchem-322	27	10	bzs	bzs	NOUN
eurjchem-322	27	11	approved	approve	VERB
eurjchem-322	27	12	for	for	ADP
eurjchem-322	27	13	the	the	DET
eurjchem-322	27	14	treatment	treatment	NOUN
eurjchem-322	27	15	of	of	ADP
eurjchem-322	27	16	sp	sp	ADP
eurjchem-322	27	17	[	[	X
eurjchem-322	27	18	4‐6	4‐6	PROPN
eurjchem-322	27	19	]	]	X
eurjchem-322	27	20	,	,	PUNCT
eurjchem-322	27	21	although	although	SCONJ
eurjchem-322	27	22	other	other	ADJ
eurjchem-322	27	23	high‐potency	high‐potency	NOUN
eurjchem-322	27	24	bzs	bzs	NOUN
eurjchem-322	27	25	,	,	PUNCT
eurjchem-322	27	26	such	such	ADJ
eurjchem-322	27	27	as	as	ADP
eurjchem-322	27	28	lorazepam	lorazepam	NOUN
eurjchem-322	27	29	,	,	PUNCT
eurjchem-322	27	30	also	also	ADV
eurjchem-322	27	31	show	show	VERB
eurjchem-322	27	32	similar	similar	ADJ
eurjchem-322	27	33	effects	effect	NOUN
eurjchem-322	27	34	.	.	PUNCT
eurjchem-322	28	1	there	there	PRON
eurjchem-322	28	2	is	be	VERB
eurjchem-322	28	3	little	little	ADJ
eurjchem-322	28	4	evidence	evidence	NOUN
eurjchem-322	28	5	of	of	ADP
eurjchem-322	28	6	efficacy	efficacy	NOUN
eurjchem-322	28	7	of	of	ADP
eurjchem-322	28	8	bzs	bzs	NOUN
eurjchem-322	28	9	in	in	ADP
eurjchem-322	28	10	ocd	ocd	NOUN
eurjchem-322	28	11	or	or	CCONJ
eurjchem-322	28	12	ptsd	ptsd	PROPN
eurjchem-322	28	13	and	and	CCONJ
eurjchem-322	28	14	no	no	DET
eurjchem-322	28	15	bz	bz	PROPN
eurjchem-322	28	16	was	be	AUX
eurjchem-322	28	17	approved	approve	VERB
eurjchem-322	28	18	specifically	specifically	ADV
eurjchem-322	28	19	for	for	ADP
eurjchem-322	28	20	these	these	DET
eurjchem-322	28	21	diseases	disease	NOUN
eurjchem-322	28	22	[	[	X
eurjchem-322	28	23	1	1	NUM
eurjchem-322	28	24	]	]	PUNCT
eurjchem-322	28	25	.	.	PUNCT
eurjchem-322	29	1	anxiety	anxiety	NOUN
eurjchem-322	29	2	disorders	disorder	NOUN
eurjchem-322	29	3	may	may	AUX
eurjchem-322	29	4	affect	affect	VERB
eurjchem-322	29	5	the	the	DET
eurjchem-322	29	6	quality	quality	NOUN
eurjchem-322	29	7	of	of	ADP
eurjchem-322	29	8	sleep	sleep	NOUN
eurjchem-322	29	9	.	.	PUNCT
eurjchem-322	30	1	thus	thus	ADV
eurjchem-322	30	2	,	,	PUNCT
eurjchem-322	30	3	drugs	drug	NOUN
eurjchem-322	30	4	such	such	ADJ
eurjchem-322	30	5	as	as	ADP
eurjchem-322	30	6	bzs	bzs	NOUN
eurjchem-322	30	7	are	be	AUX
eurjchem-322	30	8	also	also	ADV
eurjchem-322	30	9	widely	widely	ADV
eurjchem-322	30	10	used	use	VERB
eurjchem-322	30	11	to	to	PART
eurjchem-322	30	12	treat	treat	VERB
eurjchem-322	30	13	insomnia	insomnia	NOUN
eurjchem-322	30	14	as	as	ADP
eurjchem-322	30	15	hypnotics	hypnotic	NOUN
eurjchem-322	30	16	.	.	PUNCT
eurjchem-322	31	1	in	in	ADP
eurjchem-322	31	2	fact	fact	NOUN
eurjchem-322	31	3	,	,	PUNCT
eurjchem-322	31	4	they	they	PRON
eurjchem-322	31	5	represent	represent	VERB
eurjchem-322	31	6	nowadays	nowadays	ADV
eurjchem-322	31	7	the	the	DET
eurjchem-322	31	8	most	most	ADV
eurjchem-322	31	9	important	important	ADJ
eurjchem-322	31	10	group	group	NOUN
eurjchem-322	31	11	of	of	ADP
eurjchem-322	31	12	drugs	drug	NOUN
eurjchem-322	31	13	involved	involve	VERB
eurjchem-322	31	14	in	in	ADP
eurjchem-322	31	15	the	the	DET
eurjchem-322	31	16	treatment	treatment	NOUN
eurjchem-322	31	17	of	of	ADP
eurjchem-322	31	18	anxiety	anxiety	NOUN
eurjchem-322	31	19	and	and	CCONJ
eurjchem-322	31	20	sleep	sleep	VERB
eurjchem-322	31	21	disorders	disorder	NOUN
eurjchem-322	31	22	[	[	X
eurjchem-322	31	23	7	7	NUM
eurjchem-322	31	24	]	]	PUNCT
eurjchem-322	31	25	.	.	PUNCT
eurjchem-322	32	1	bzs	bzs	PROPN
eurjchem-322	32	2	can	can	AUX
eurjchem-322	32	3	also	also	ADV
eurjchem-322	32	4	be	be	AUX
eurjchem-322	32	5	used	use	VERB
eurjchem-322	32	6	as	as	ADP
eurjchem-322	32	7	anti‐convulsive	anti‐convulsive	NOUN
eurjchem-322	32	8	and	and	CCONJ
eurjchem-322	32	9	myorelaxants	myorelaxant	NOUN
eurjchem-322	32	10	.	.	PUNCT
eurjchem-322	33	1	all	all	DET
eurjchem-322	33	2	the	the	DET
eurjchem-322	33	3	bzs	bzs	NOUN
eurjchem-322	33	4	exhibit	exhibit	VERB
eurjchem-322	33	5	similar	similar	ADJ
eurjchem-322	33	6	pharmacological	pharmacological	ADJ
eurjchem-322	33	7	profiles	profile	NOUN
eurjchem-322	33	8	but	but	CCONJ
eurjchem-322	33	9	differ	differ	VERB
eurjchem-322	33	10	from	from	ADP
eurjchem-322	33	11	each	each	DET
eurjchem-322	33	12	other	other	ADJ
eurjchem-322	33	13	in	in	ADP
eurjchem-322	33	14	their	their	PRON
eurjchem-322	33	15	selectivity	selectivity	NOUN
eurjchem-322	33	16	and	and	CCONJ
eurjchem-322	33	17	thus	thus	ADV
eurjchem-322	33	18	,	,	PUNCT
eurjchem-322	33	19	may	may	AUX
eurjchem-322	33	20	be	be	AUX
eurjchem-322	33	21	used	use	VERB
eurjchem-322	33	22	for	for	ADP
eurjchem-322	33	23	various	various	ADJ
eurjchem-322	33	24	therapeutic	therapeutic	ADJ
eurjchem-322	33	25	purposes	purpose	NOUN
eurjchem-322	33	26	:	:	PUNCT
eurjchem-322	33	27	this	this	PRON
eurjchem-322	33	28	arises	arise	VERB
eurjchem-322	33	29	from	from	ADP
eurjchem-322	33	30	the	the	DET
eurjchem-322	33	31	fact	fact	NOUN
eurjchem-322	33	32	that	that	SCONJ
eurjchem-322	33	33	they	they	PRON
eurjchem-322	33	34	act	act	VERB
eurjchem-322	33	35	as	as	ADP
eurjchem-322	33	36	selective	selective	ADJ
eurjchem-322	33	37	depressant	depressant	NOUN
eurjchem-322	33	38	on	on	ADP
eurjchem-322	33	39	the	the	DET
eurjchem-322	33	40	central	central	ADJ
eurjchem-322	33	41	nervous	nervous	ADJ
eurjchem-322	33	42	system	system	NOUN
eurjchem-322	33	43	since	since	SCONJ
eurjchem-322	33	44	they	they	PRON
eurjchem-322	33	45	facilitate	facilitate	VERB
eurjchem-322	33	46	and	and	CCONJ
eurjchem-322	33	47	increase	increase	VERB
eurjchem-322	33	48	the	the	DET
eurjchem-322	33	49	gabaergic	gabaergic	ADJ
eurjchem-322	33	50	transmission	transmission	NOUN
eurjchem-322	33	51	in	in	ADP
eurjchem-322	33	52	all	all	DET
eurjchem-322	33	53	structures	structure	NOUN
eurjchem-322	33	54	of	of	ADP
eurjchem-322	33	55	the	the	DET
eurjchem-322	33	56	central	central	ADJ
eurjchem-322	33	57	nervous	nervous	ADJ
eurjchem-322	33	58	system	system	NOUN
eurjchem-322	33	59	(	(	PUNCT
eurjchem-322	33	60	cns	cns	NOUN
eurjchem-322	33	61	)	)	PUNCT
eurjchem-322	33	62	.	.	PUNCT
eurjchem-322	34	1	also	also	ADV
eurjchem-322	34	2	,	,	PUNCT
eurjchem-322	34	3	their	their	PRON
eurjchem-322	34	4	anxiolytic	anxiolytic	ADJ
eurjchem-322	34	5	or	or	CCONJ
eurjchem-322	34	6	hypnotic	hypnotic	ADJ
eurjchem-322	34	7	properties	property	NOUN
eurjchem-322	34	8	are	be	AUX
eurjchem-322	34	9	difficult	difficult	ADJ
eurjchem-322	34	10	to	to	PART
eurjchem-322	34	11	differentiate	differentiate	VERB
eurjchem-322	34	12	since	since	SCONJ
eurjchem-322	34	13	all	all	DET
eurjchem-322	34	14	bzs	bzs	NOUN
eurjchem-322	34	15	are	be	AUX
eurjchem-322	34	16	anxiolytic	anxiolytic	ADJ
eurjchem-322	34	17	and	and	CCONJ
eurjchem-322	34	18	may	may	AUX
eurjchem-322	34	19	act	act	VERB
eurjchem-322	34	20	by	by	ADP
eurjchem-322	34	21	modifying	modify	VERB
eurjchem-322	34	22	sleep	sleep	NOUN
eurjchem-322	34	23	,	,	PUNCT
eurjchem-322	34	24	provided	provide	VERB
eurjchem-322	34	25	they	they	PRON
eurjchem-322	34	26	achieve	achieve	VERB
eurjchem-322	34	27	certain	certain	ADJ
eurjchem-322	34	28	doses	dose	NOUN
eurjchem-322	34	29	.	.	PUNCT
eurjchem-322	35	1	this	this	DET
eurjchem-322	35	2	overlap	overlap	NOUN
eurjchem-322	35	3	of	of	ADP
eurjchem-322	35	4	the	the	DET
eurjchem-322	35	5	pharmacological	pharmacological	ADJ
eurjchem-322	35	6	activity	activity	NOUN
eurjchem-322	35	7	makes	make	VERB
eurjchem-322	35	8	it	it	PRON
eurjchem-322	35	9	difficult	difficult	ADJ
eurjchem-322	35	10	to	to	PART
eurjchem-322	35	11	distinguish	distinguish	VERB
eurjchem-322	35	12	between	between	ADP
eurjchem-322	35	13	true	true	ADJ
eurjchem-322	35	14	sedatives	sedative	NOUN
eurjchem-322	35	15	and	and	CCONJ
eurjchem-322	35	16	anxiolytics	anxiolytic	NOUN
eurjchem-322	35	17	,	,	PUNCT
eurjchem-322	35	18	and	and	CCONJ
eurjchem-322	35	19	classification	classification	NOUN
eurjchem-322	35	20	of	of	ADP
eurjchem-322	35	21	bzs	bzs	NOUN
eurjchem-322	35	22	as	as	SCONJ
eurjchem-322	35	23	anxiolytic	anxiolytic	ADJ
eurjchem-322	35	24	or	or	CCONJ
eurjchem-322	35	25	sedative	sedative	ADJ
eurjchem-322	35	26	agents	agent	NOUN
eurjchem-322	35	27	is	be	AUX
eurjchem-322	35	28	deeply	deeply	ADV
eurjchem-322	35	29	based	base	VERB
eurjchem-322	35	30	on	on	ADP
eurjchem-322	35	31	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-322	35	32	considerations	consideration	NOUN
eurjchem-322	35	33	related	relate	VERB
eurjchem-322	35	34	to	to	ADP
eurjchem-322	35	35	the	the	DET
eurjchem-322	35	36	half‐	half‐	PROPN
eurjchem-322	35	37	life	life	NOUN
eurjchem-322	35	38	(	(	PUNCT
eurjchem-322	35	39	t1/2	t1/2	PROPN
eurjchem-322	35	40	)	)	PUNCT
eurjchem-322	35	41	of	of	ADP
eurjchem-322	35	42	these	these	DET
eurjchem-322	35	43	drugs	drug	NOUN
eurjchem-322	35	44	[	[	X
eurjchem-322	35	45	1	1	NUM
eurjchem-322	35	46	]	]	PUNCT
eurjchem-322	35	47	.	.	PUNCT
eurjchem-322	36	1	anxiolytic	anxiolytic	ADJ
eurjchem-322	36	2	substances	substance	NOUN
eurjchem-322	36	3	and	and	CCONJ
eurjchem-322	36	4	bzs	bzs	NOUN
eurjchem-322	36	5	currently	currently	ADV
eurjchem-322	36	6	on	on	ADP
eurjchem-322	36	7	the	the	DET
eurjchem-322	36	8	market	market	NOUN
eurjchem-322	36	9	have	have	AUX
eurjchem-322	36	10	been	be	AUX
eurjchem-322	36	11	developed	develop	VERB
eurjchem-322	36	12	as	as	ADP
eurjchem-322	36	13	a	a	DET
eurjchem-322	36	14	result	result	NOUN
eurjchem-322	36	15	of	of	ADP
eurjchem-322	36	16	serendipity	serendipity	NOUN
eurjchem-322	36	17	allied	ally	VERB
eurjchem-322	36	18	to	to	ADP
eurjchem-322	36	19	a	a	DET
eurjchem-322	36	20	2	2	NUM
eurjchem-322	36	21	gomes	gome	NOUN
eurjchem-322	36	22	et	et	PROPN
eurjchem-322	36	23	al	al	PROPN
eurjchem-322	36	24	.	.	PUNCT
eurjchem-322	36	25	/	/	SYM
eurjchem-322	36	26	european	european	PROPN
eurjchem-322	36	27	journal	journal	PROPN
eurjchem-322	36	28	of	of	ADP
eurjchem-322	36	29	chemistry	chemistry	NOUN
eurjchem-322	36	30	2	2	NUM
eurjchem-322	36	31	(	(	PUNCT
eurjchem-322	36	32	1	1	NUM
eurjchem-322	36	33	)	)	PUNCT
eurjchem-322	36	34	(	(	PUNCT
eurjchem-322	36	35	2011	2011	NUM
eurjchem-322	36	36	)	)	PUNCT
eurjchem-322	37	1	1‐7	1‐7	NOUN
eurjchem-322	37	2	rational	rational	ADJ
eurjchem-322	37	3	molecular	molecular	ADJ
eurjchem-322	37	4	design	design	NOUN
eurjchem-322	37	5	.	.	PUNCT
eurjchem-322	38	1	molecular	molecular	ADJ
eurjchem-322	38	2	design	design	NOUN
eurjchem-322	38	3	,	,	PUNCT
eurjchem-322	38	4	whose	whose	DET
eurjchem-322	38	5	main	main	ADJ
eurjchem-322	38	6	objective	objective	NOUN
eurjchem-322	38	7	is	be	AUX
eurjchem-322	38	8	the	the	DET
eurjchem-322	38	9	discovery	discovery	NOUN
eurjchem-322	38	10	of	of	ADP
eurjchem-322	38	11	new	new	ADJ
eurjchem-322	38	12	active	active	ADJ
eurjchem-322	38	13	molecules	molecule	NOUN
eurjchem-322	38	14	,	,	PUNCT
eurjchem-322	38	15	is	be	AUX
eurjchem-322	38	16	based	base	VERB
eurjchem-322	38	17	on	on	ADP
eurjchem-322	38	18	provisional	provisional	ADJ
eurjchem-322	38	19	data	datum	NOUN
eurjchem-322	38	20	concerning	concern	VERB
eurjchem-322	38	21	physical‐chemical	physical‐chemical	ADJ
eurjchem-322	38	22	characteri‐	characteri‐	PROPN
eurjchem-322	38	23	zation	zation	NOUN
eurjchem-322	38	24	,	,	PUNCT
eurjchem-322	38	25	pharmacokinetics	pharmacokinetic	NOUN
eurjchem-322	38	26	,	,	PUNCT
eurjchem-322	38	27	pharmacodynamics	pharmacodynamic	NOUN
eurjchem-322	38	28	,	,	PUNCT
eurjchem-322	38	29	and	and	CCONJ
eurjchem-322	38	30	studies	study	NOUN
eurjchem-322	38	31	of	of	ADP
eurjchem-322	38	32	the	the	DET
eurjchem-322	38	33	structure	structure	NOUN
eurjchem-322	38	34	/	/	SYM
eurjchem-322	38	35	activity	activity	NOUN
eurjchem-322	38	36	,	,	PUNCT
eurjchem-322	38	37	even	even	ADV
eurjchem-322	38	38	before	before	ADP
eurjchem-322	38	39	synthesis	synthesis	NOUN
eurjchem-322	38	40	of	of	ADP
eurjchem-322	38	41	a	a	DET
eurjchem-322	38	42	compound	compound	NOUN
eurjchem-322	38	43	in	in	ADP
eurjchem-322	38	44	the	the	DET
eurjchem-322	38	45	laboratory	laboratory	NOUN
eurjchem-322	38	46	.	.	PUNCT
eurjchem-322	39	1	to	to	PART
eurjchem-322	39	2	facilitate	facilitate	VERB
eurjchem-322	39	3	this	this	DET
eurjchem-322	39	4	molecular	molecular	ADJ
eurjchem-322	39	5	design	design	NOUN
eurjchem-322	39	6	process	process	NOUN
eurjchem-322	39	7	,	,	PUNCT
eurjchem-322	39	8	knowledge	knowledge	NOUN
eurjchem-322	39	9	of	of	ADP
eurjchem-322	39	10	the	the	DET
eurjchem-322	39	11	structural	structural	ADJ
eurjchem-322	39	12	features	feature	NOUN
eurjchem-322	39	13	and	and	CCONJ
eurjchem-322	39	14	physical	physical	ADJ
eurjchem-322	39	15	chemical	chemical	NOUN
eurjchem-322	39	16	characteristics	characteristic	NOUN
eurjchem-322	39	17	of	of	ADP
eurjchem-322	39	18	actual	actual	ADJ
eurjchem-322	39	19	active	active	ADJ
eurjchem-322	39	20	drugs	drug	NOUN
eurjchem-322	39	21	are	be	AUX
eurjchem-322	39	22	essential	essential	ADJ
eurjchem-322	39	23	.	.	PUNCT
eurjchem-322	40	1	also	also	ADV
eurjchem-322	40	2	,	,	PUNCT
eurjchem-322	40	3	the	the	DET
eurjchem-322	40	4	knowledge	knowledge	NOUN
eurjchem-322	40	5	of	of	ADP
eurjchem-322	40	6	the	the	DET
eurjchem-322	40	7	electronic	electronic	ADJ
eurjchem-322	40	8	and	and	CCONJ
eurjchem-322	40	9	structural	structural	ADJ
eurjchem-322	40	10	features	feature	NOUN
eurjchem-322	40	11	of	of	ADP
eurjchem-322	40	12	bzs	bzs	NOUN
eurjchem-322	40	13	may	may	AUX
eurjchem-322	40	14	help	help	VERB
eurjchem-322	40	15	on	on	ADP
eurjchem-322	40	16	the	the	DET
eurjchem-322	40	17	understanding	understanding	NOUN
eurjchem-322	40	18	the	the	DET
eurjchem-322	40	19	affinity	affinity	NOUN
eurjchem-322	40	20	of	of	ADP
eurjchem-322	40	21	bzs	bzs	NOUN
eurjchem-322	40	22	to	to	ADP
eurjchem-322	40	23	specific	specific	ADJ
eurjchem-322	40	24	sub‐	sub‐	ADJ
eurjchem-322	40	25	types	type	NOUN
eurjchem-322	40	26	of	of	ADP
eurjchem-322	40	27	gabaa	gabaa	NOUN
eurjchem-322	40	28	receptors	receptor	NOUN
eurjchem-322	40	29	[	[	X
eurjchem-322	40	30	8‐12	8‐12	NUM
eurjchem-322	40	31	]	]	PUNCT
eurjchem-322	40	32	,	,	PUNCT
eurjchem-322	40	33	thus	thus	ADV
eurjchem-322	40	34	helping	help	VERB
eurjchem-322	40	35	on	on	ADP
eurjchem-322	40	36	the	the	DET
eurjchem-322	40	37	systematization	systematization	NOUN
eurjchem-322	40	38	of	of	ADP
eurjchem-322	40	39	their	their	PRON
eurjchem-322	40	40	main	main	ADJ
eurjchem-322	40	41	therapeutic	therapeutic	ADJ
eurjchem-322	40	42	activities	activity	NOUN
eurjchem-322	40	43	.	.	PUNCT
eurjchem-322	41	1	this	this	DET
eurjchem-322	41	2	work	work	NOUN
eurjchem-322	41	3	presents	present	VERB
eurjchem-322	41	4	a	a	DET
eurjchem-322	41	5	review	review	NOUN
eurjchem-322	41	6	of	of	ADP
eurjchem-322	41	7	the	the	DET
eurjchem-322	41	8	structural	structural	ADJ
eurjchem-322	41	9	characteristics	characteristic	NOUN
eurjchem-322	41	10	of	of	ADP
eurjchem-322	41	11	bzs	bzs	NOUN
eurjchem-322	41	12	.	.	PUNCT
eurjchem-322	42	1	the	the	DET
eurjchem-322	42	2	conformational	conformational	ADJ
eurjchem-322	42	3	analysis	analysis	NOUN
eurjchem-322	42	4	of	of	ADP
eurjchem-322	42	5	the	the	DET
eurjchem-322	42	6	molecules	molecule	NOUN
eurjchem-322	42	7	is	be	AUX
eurjchem-322	42	8	based	base	VERB
eurjchem-322	42	9	on	on	ADP
eurjchem-322	42	10	structures	structure	NOUN
eurjchem-322	42	11	of	of	ADP
eurjchem-322	42	12	1,4‐benzodiazepines	1,4‐benzodiazepine	NOUN
eurjchem-322	42	13	obtained	obtain	VERB
eurjchem-322	42	14	by	by	ADP
eurjchem-322	42	15	single	single	ADJ
eurjchem-322	42	16	crystal	crystal	NOUN
eurjchem-322	42	17	x‐ray	x‐ray	PROPN
eurjchem-322	42	18	diffractometry	diffractometry	NOUN
eurjchem-322	42	19	that	that	PRON
eurjchem-322	42	20	are	be	AUX
eurjchem-322	42	21	available	available	ADJ
eurjchem-322	42	22	from	from	ADP
eurjchem-322	42	23	the	the	DET
eurjchem-322	42	24	cambridge	cambridge	PROPN
eurjchem-322	42	25	structural	structural	PROPN
eurjchem-322	42	26	database	database	NOUN
eurjchem-322	42	27	,	,	PUNCT
eurjchem-322	42	28	csd	csd	PROPN
eurjchem-322	43	1	[	[	X
eurjchem-322	43	2	13	13	NUM
eurjchem-322	43	3	]	]	PUNCT
eurjchem-322	43	4	.	.	PUNCT
eurjchem-322	44	1	knowledge	knowledge	NOUN
eurjchem-322	44	2	of	of	ADP
eurjchem-322	44	3	the	the	DET
eurjchem-322	44	4	conformation	conformation	NOUN
eurjchem-322	44	5	of	of	ADP
eurjchem-322	44	6	these	these	DET
eurjchem-322	44	7	drugs	drug	NOUN
eurjchem-322	44	8	is	be	AUX
eurjchem-322	44	9	important	important	ADJ
eurjchem-322	44	10	since	since	SCONJ
eurjchem-322	44	11	former	former	ADJ
eurjchem-322	44	12	studies	study	NOUN
eurjchem-322	44	13	[	[	X
eurjchem-322	44	14	14	14	NUM
eurjchem-322	44	15	]	]	PUNCT
eurjchem-322	44	16	show	show	VERB
eurjchem-322	44	17	that	that	SCONJ
eurjchem-322	44	18	bzs	bzs	NOUN
eurjchem-322	44	19	induce	induce	VERB
eurjchem-322	44	20	changes	change	NOUN
eurjchem-322	44	21	in	in	ADP
eurjchem-322	44	22	conformation	conformation	NOUN
eurjchem-322	44	23	in	in	ADP
eurjchem-322	44	24	the	the	DET
eurjchem-322	44	25	α1	α1	PROPN
eurjchem-322	44	26	subunit	subunit	NOUN
eurjchem-322	44	27	of	of	ADP
eurjchem-322	44	28	gabaa	gabaa	NOUN
eurjchem-322	44	29	receptors	receptor	NOUN
eurjchem-322	44	30	.	.	PUNCT
eurjchem-322	45	1	in	in	ADP
eurjchem-322	45	2	addition	addition	NOUN
eurjchem-322	45	3	electronic	electronic	ADJ
eurjchem-322	45	4	characterization	characterization	NOUN
eurjchem-322	45	5	has	have	AUX
eurjchem-322	45	6	been	be	AUX
eurjchem-322	45	7	carried	carry	VERB
eurjchem-322	45	8	out	out	ADP
eurjchem-322	45	9	for	for	ADP
eurjchem-322	45	10	two	two	NUM
eurjchem-322	45	11	sets	set	NOUN
eurjchem-322	45	12	of	of	ADP
eurjchem-322	45	13	bzs	bzs	NOUN
eurjchem-322	45	14	that	that	PRON
eurjchem-322	45	15	were	be	AUX
eurjchem-322	45	16	grouped	group	VERB
eurjchem-322	45	17	on	on	ADP
eurjchem-322	45	18	the	the	DET
eurjchem-322	45	19	basis	basis	NOUN
eurjchem-322	45	20	of	of	ADP
eurjchem-322	45	21	their	their	PRON
eurjchem-322	45	22	c7	c7	PROPN
eurjchem-322	45	23	position	position	NOUN
eurjchem-322	45	24	substitution	substitution	NOUN
eurjchem-322	45	25	and	and	CCONJ
eurjchem-322	45	26	c2	c2	PROPN
eurjchem-322	45	27	’	'	PUNCT
eurjchem-322	45	28	(	(	PUNCT
eurjchem-322	45	29	refer	refer	VERB
eurjchem-322	45	30	to	to	PART
eurjchem-322	45	31	figure	figure	VERB
eurjchem-322	45	32	1	1	NUM
eurjchem-322	45	33	)	)	PUNCT
eurjchem-322	45	34	,	,	PUNCT
eurjchem-322	45	35	using	use	VERB
eurjchem-322	45	36	quantum	quantum	ADJ
eurjchem-322	45	37	chemical	chemical	NOUN
eurjchem-322	45	38	calculations	calculation	NOUN
eurjchem-322	45	39	.	.	PUNCT
eurjchem-322	46	1	by	by	ADP
eurjchem-322	46	2	doing	do	VERB
eurjchem-322	46	3	this	this	PRON
eurjchem-322	46	4	,	,	PUNCT
eurjchem-322	46	5	inferences	inference	NOUN
eurjchem-322	46	6	can	can	AUX
eurjchem-322	46	7	be	be	AUX
eurjchem-322	46	8	made	make	VERB
eurjchem-322	46	9	about	about	ADP
eurjchem-322	46	10	charge	charge	NOUN
eurjchem-322	46	11	density	density	NOUN
eurjchem-322	46	12	distribution	distribution	NOUN
eurjchem-322	46	13	in	in	ADP
eurjchem-322	46	14	the	the	DET
eurjchem-322	46	15	molecule	molecule	NOUN
eurjchem-322	46	16	and	and	CCONJ
eurjchem-322	46	17	the	the	DET
eurjchem-322	46	18	mapping	mapping	NOUN
eurjchem-322	46	19	of	of	ADP
eurjchem-322	46	20	polar	polar	ADJ
eurjchem-322	46	21	moments	moment	NOUN
eurjchem-322	46	22	within	within	ADP
eurjchem-322	46	23	the	the	DET
eurjchem-322	46	24	molecule	molecule	NOUN
eurjchem-322	46	25	.	.	PUNCT
eurjchem-322	47	1	although	although	SCONJ
eurjchem-322	47	2	this	this	DET
eurjchem-322	47	3	work	work	NOUN
eurjchem-322	47	4	deals	deal	VERB
eurjchem-322	47	5	with	with	ADP
eurjchem-322	47	6	the	the	DET
eurjchem-322	47	7	influence	influence	NOUN
eurjchem-322	47	8	of	of	ADP
eurjchem-322	47	9	substituents	substituent	NOUN
eurjchem-322	47	10	on	on	ADP
eurjchem-322	47	11	the	the	DET
eurjchem-322	47	12	c7	c7	PROPN
eurjchem-322	47	13	and	and	CCONJ
eurjchem-322	47	14	c2	c2	PROPN
eurjchem-322	47	15	’	'	PUNCT
eurjchem-322	47	16	positions	position	NOUN
eurjchem-322	47	17	on	on	ADP
eurjchem-322	47	18	the	the	DET
eurjchem-322	47	19	electronic	electronic	ADJ
eurjchem-322	47	20	distributions	distribution	NOUN
eurjchem-322	47	21	,	,	PUNCT
eurjchem-322	47	22	the	the	DET
eurjchem-322	47	23	compounds	compound	NOUN
eurjchem-322	47	24	chosen	choose	VERB
eurjchem-322	47	25	are	be	AUX
eurjchem-322	47	26	limited	limit	VERB
eurjchem-322	47	27	to	to	ADP
eurjchem-322	47	28	those	those	PRON
eurjchem-322	47	29	with	with	ADP
eurjchem-322	47	30	actual	actual	ADJ
eurjchem-322	47	31	pharmacological	pharmacological	ADJ
eurjchem-322	47	32	action	action	NOUN
eurjchem-322	47	33	.	.	PUNCT
eurjchem-322	48	1	the	the	DET
eurjchem-322	48	2	confor‐	confor‐	NOUN
eurjchem-322	48	3	mational	mational	ADJ
eurjchem-322	48	4	and	and	CCONJ
eurjchem-322	48	5	electronic	electronic	ADJ
eurjchem-322	48	6	aspects	aspect	NOUN
eurjchem-322	48	7	are	be	AUX
eurjchem-322	48	8	the	the	DET
eurjchem-322	48	9	main	main	ADJ
eurjchem-322	48	10	requirements	requirement	NOUN
eurjchem-322	48	11	for	for	ADP
eurjchem-322	48	12	bzs‐receptor	bzs‐receptor	NOUN
eurjchem-322	48	13	interactions	interaction	NOUN
eurjchem-322	48	14	and	and	CCONJ
eurjchem-322	48	15	knowledge	knowledge	NOUN
eurjchem-322	48	16	of	of	ADP
eurjchem-322	48	17	these	these	PRON
eurjchem-322	48	18	can	can	AUX
eurjchem-322	48	19	contribute	contribute	VERB
eurjchem-322	48	20	to	to	ADP
eurjchem-322	48	21	the	the	DET
eurjchem-322	48	22	improvement	improvement	NOUN
eurjchem-322	48	23	of	of	ADP
eurjchem-322	48	24	the	the	DET
eurjchem-322	48	25	available	available	ADJ
eurjchem-322	48	26	proposed	propose	VERB
eurjchem-322	48	27	models	model	NOUN
eurjchem-322	48	28	for	for	ADP
eurjchem-322	48	29	the	the	DET
eurjchem-322	48	30	bzs‐gabaa	bzs‐gabaa	VERB
eurjchem-322	48	31	receptor	receptor	NOUN
eurjchem-322	48	32	interaction	interaction	NOUN
eurjchem-322	48	33	.	.	PUNCT
eurjchem-322	49	1	r1	r1	PROPN
eurjchem-322	49	2	r2	r2	PROPN
eurjchem-322	49	3	r7	r7	PROPN
eurjchem-322	49	4	r2	r2	PROPN
eurjchem-322	49	5	’	'	PUNCT
eurjchem-322	49	6	1.a	1.a	NUM
eurjchem-322	49	7	–	–	PUNCT
eurjchem-322	49	8	me	i	PRON
eurjchem-322	49	9	=	=	ADJ
eurjchem-322	49	10	o	o	NOUN
eurjchem-322	49	11	–	–	PUNCT
eurjchem-322	49	12	cl	cl	NOUN
eurjchem-322	49	13	–	–	PUNCT
eurjchem-322	49	14	h	h	NOUN
eurjchem-322	49	15	1.b	1.b	NUM
eurjchem-322	49	16	–	–	PUNCT
eurjchem-322	49	17	n(et)3	n(et)3	NUM
eurjchem-322	49	18	=	=	SYM
eurjchem-322	49	19	o	o	X
eurjchem-322	49	20	–	–	PUNCT
eurjchem-322	49	21	cl	cl	NOUN
eurjchem-322	49	22	–	–	PUNCT
eurjchem-322	49	23	f	f	PROPN
eurjchem-322	49	24	1.c	1.c	NUM
eurjchem-322	49	25	–	–	PUNCT
eurjchem-322	49	26	h	h	NOUN
eurjchem-322	50	1	=	=	NOUN
eurjchem-322	50	2	o	o	NOUN
eurjchem-322	50	3	–	–	PUNCT
eurjchem-322	50	4	cl	cl	NOUN
eurjchem-322	50	5	–	–	PUNCT
eurjchem-322	50	6	f	f	PROPN
eurjchem-322	50	7	1.d	1.d	NUM
eurjchem-322	50	8	–	–	PUNCT
eurjchem-322	50	9	oh	oh	INTJ
eurjchem-322	51	1	=	=	NUM
eurjchem-322	51	2	o	o	NOUN
eurjchem-322	51	3	–	–	PUNCT
eurjchem-322	51	4	cl	cl	NOUN
eurjchem-322	51	5	–	–	PUNCT
eurjchem-322	51	6	f	f	PROPN
eurjchem-322	51	7	2.a	2.a	NUM
eurjchem-322	51	8	–	–	PUNCT
eurjchem-322	51	9	h	h	NOUN
eurjchem-322	52	1	=	=	NOUN
eurjchem-322	52	2	o	o	X
eurjchem-322	52	3	–	–	PUNCT
eurjchem-322	52	4	no2	no2	NOUN
eurjchem-322	52	5	–	–	PUNCT
eurjchem-322	52	6	h	h	NOUN
eurjchem-322	52	7	2.b	2.b	NUM
eurjchem-322	52	8	–	–	PUNCT
eurjchem-322	52	9	h	h	NOUN
eurjchem-322	52	10	=	=	NOUN
eurjchem-322	52	11	o	o	X
eurjchem-322	52	12	–	–	PUNCT
eurjchem-322	52	13	no2	no2	NOUN
eurjchem-322	52	14	–	–	PUNCT
eurjchem-322	52	15	cl	cl	NOUN
eurjchem-322	52	16	2.c	2.c	NUM
eurjchem-322	52	17	–	–	PUNCT
eurjchem-322	52	18	me	i	PRON
eurjchem-322	53	1	=	=	ADJ
eurjchem-322	53	2	o	o	X
eurjchem-322	53	3	–	–	PUNCT
eurjchem-322	53	4	no2	no2	NOUN
eurjchem-322	53	5	–	–	PUNCT
eurjchem-322	53	6	f	f	X
eurjchem-322	53	7	2.d	2.d	NUM
eurjchem-322	53	8	–	–	PUNCT
eurjchem-322	53	9	h	h	NOUN
eurjchem-322	53	10	=	=	NOUN
eurjchem-322	53	11	o	o	X
eurjchem-322	53	12	–	–	PUNCT
eurjchem-322	53	13	no2	no2	NOUN
eurjchem-322	53	14	–	–	PUNCT
eurjchem-322	53	15	f	f	X
eurjchem-322	53	16	2.e	2.e	NUM
eurjchem-322	53	17	–	–	PUNCT
eurjchem-322	53	18	n(et)3	n(et)3	NUM
eurjchem-322	53	19	=	=	SYM
eurjchem-322	53	20	o	o	X
eurjchem-322	53	21	–	–	PUNCT
eurjchem-322	53	22	no2	no2	NOUN
eurjchem-322	53	23	–	–	PUNCT
eurjchem-322	53	24	f	f	PROPN
eurjchem-322	53	25	2.f	2.f	NUM
eurjchem-322	53	26	–	–	PUNCT
eurjchem-322	53	27	et	et	NOUN
eurjchem-322	53	28	–	–	PUNCT
eurjchem-322	53	29	oh	oh	INTJ
eurjchem-322	53	30	–	–	PUNCT
eurjchem-322	53	31	no2	no2	NOUN
eurjchem-322	53	32	–	–	PUNCT
eurjchem-322	53	33	f	f	PROPN
eurjchem-322	53	34	figure	figure	NOUN
eurjchem-322	53	35	1	1	NUM
eurjchem-322	53	36	.	.	PUNCT
eurjchem-322	54	1	molecular	molecular	ADJ
eurjchem-322	54	2	scaffold	scaffold	NOUN
eurjchem-322	54	3	of	of	ADP
eurjchem-322	54	4	a	a	DET
eurjchem-322	54	5	1.4‐dibenzazepine	1.4‐dibenzazepine	NUM
eurjchem-322	54	6	,	,	PUNCT
eurjchem-322	54	7	with	with	ADP
eurjchem-322	54	8	the	the	DET
eurjchem-322	54	9	numbering	numbering	NOUN
eurjchem-322	54	10	of	of	ADP
eurjchem-322	54	11	atoms	atom	NOUN
eurjchem-322	54	12	and	and	CCONJ
eurjchem-322	54	13	identification	identification	NOUN
eurjchem-322	54	14	of	of	ADP
eurjchem-322	54	15	the	the	DET
eurjchem-322	54	16	rings	ring	NOUN
eurjchem-322	54	17	.	.	PUNCT
eurjchem-322	55	1	compounds	compound	NOUN
eurjchem-322	55	2	studied	study	VERB
eurjchem-322	55	3	on	on	ADP
eurjchem-322	55	4	this	this	DET
eurjchem-322	55	5	work	work	NOUN
eurjchem-322	55	6	are	be	AUX
eurjchem-322	55	7	:	:	PUNCT
eurjchem-322	55	8	2	2	X
eurjchem-322	55	9	.	.	X
eurjchem-322	55	10	experimental	experimental	ADJ
eurjchem-322	55	11	2.1	2.1	NUM
eurjchem-322	55	12	.	.	PUNCT
eurjchem-322	56	1	structural	structural	ADJ
eurjchem-322	56	2	analysis	analysis	NOUN
eurjchem-322	56	3	a	a	DET
eurjchem-322	56	4	search	search	NOUN
eurjchem-322	56	5	of	of	ADP
eurjchem-322	56	6	the	the	DET
eurjchem-322	56	7	csd	csd	NOUN
eurjchem-322	57	1	[	[	X
eurjchem-322	57	2	13	13	NUM
eurjchem-322	57	3	]	]	PUNCT
eurjchem-322	57	4	was	be	AUX
eurjchem-322	57	5	performed	perform	VERB
eurjchem-322	57	6	using	use	VERB
eurjchem-322	57	7	the	the	DET
eurjchem-322	57	8	5‐phenyl‐	5‐phenyl‐	NUM
eurjchem-322	57	9	1,4‐benzodiazepin‐2‐one	1,4‐benzodiazepin‐2‐one	NOUN
eurjchem-322	57	10	moiety	moiety	NOUN
eurjchem-322	57	11	as	as	ADP
eurjchem-322	57	12	a	a	DET
eurjchem-322	57	13	search	search	NOUN
eurjchem-322	57	14	fragment	fragment	NOUN
eurjchem-322	57	15	produced	produce	VERB
eurjchem-322	57	16	68	68	NUM
eurjchem-322	57	17	organic	organic	ADJ
eurjchem-322	57	18	structures	structure	NOUN
eurjchem-322	57	19	with	with	ADP
eurjchem-322	57	20	r‐factors	r‐factor	NOUN
eurjchem-322	57	21	of	of	ADP
eurjchem-322	57	22	10	10	NUM
eurjchem-322	57	23	%	%	NOUN
eurjchem-322	57	24	or	or	CCONJ
eurjchem-322	57	25	less	less	ADJ
eurjchem-322	57	26	for	for	ADP
eurjchem-322	57	27	which	which	PRON
eurjchem-322	57	28	atomic	atomic	ADJ
eurjchem-322	57	29	co‐ordinates	co‐ordinate	NOUN
eurjchem-322	57	30	were	be	AUX
eurjchem-322	57	31	supplied	supply	VERB
eurjchem-322	57	32	.	.	PUNCT
eurjchem-322	58	1	polymeric	polymeric	ADJ
eurjchem-322	58	2	and	and	CCONJ
eurjchem-322	58	3	powder	powder	NOUN
eurjchem-322	58	4	diffraction	diffraction	NOUN
eurjchem-322	58	5	structures	structure	NOUN
eurjchem-322	58	6	were	be	AUX
eurjchem-322	58	7	excluded	exclude	VERB
eurjchem-322	58	8	from	from	ADP
eurjchem-322	58	9	the	the	DET
eurjchem-322	58	10	search	search	NOUN
eurjchem-322	58	11	as	as	SCONJ
eurjchem-322	58	12	were	be	AUX
eurjchem-322	58	13	duplicate	duplicate	VERB
eurjchem-322	58	14	structures	structure	NOUN
eurjchem-322	58	15	.	.	PUNCT
eurjchem-322	59	1	tables	table	NOUN
eurjchem-322	59	2	containing	contain	VERB
eurjchem-322	59	3	the	the	DET
eurjchem-322	59	4	csd	csd	NOUN
eurjchem-322	59	5	reference	reference	NOUN
eurjchem-322	59	6	codes	code	NOUN
eurjchem-322	59	7	for	for	ADP
eurjchem-322	59	8	the	the	DET
eurjchem-322	59	9	compounds	compound	NOUN
eurjchem-322	59	10	are	be	AUX
eurjchem-322	59	11	supplied	supply	VERB
eurjchem-322	59	12	as	as	ADP
eurjchem-322	59	13	supplementary	supplementary	ADJ
eurjchem-322	59	14	data	datum	NOUN
eurjchem-322	59	15	.	.	PUNCT
eurjchem-322	60	1	2.2	2.2	NUM
eurjchem-322	60	2	.	.	PUNCT
eurjchem-322	60	3	computational	computational	ADJ
eurjchem-322	60	4	chemistry	chemistry	NOUN
eurjchem-322	60	5	the	the	DET
eurjchem-322	60	6	quantum	quantum	ADJ
eurjchem-322	60	7	chemical	chemical	NOUN
eurjchem-322	60	8	calculations	calculation	NOUN
eurjchem-322	60	9	were	be	AUX
eurjchem-322	60	10	performed	perform	VERB
eurjchem-322	60	11	for	for	ADP
eurjchem-322	60	12	10	10	NUM
eurjchem-322	60	13	bzs	bzs	NOUN
eurjchem-322	60	14	derivatives	derivative	NOUN
eurjchem-322	60	15	(	(	PUNCT
eurjchem-322	60	16	shown	show	VERB
eurjchem-322	60	17	in	in	ADP
eurjchem-322	60	18	table	table	NOUN
eurjchem-322	60	19	1	1	NUM
eurjchem-322	60	20	)	)	PUNCT
eurjchem-322	60	21	with	with	ADP
eurjchem-322	60	22	the	the	DET
eurjchem-322	60	23	program	program	NOUN
eurjchem-322	60	24	gaussian	gaussian	NOUN
eurjchem-322	60	25	03	03	NUM
eurjchem-322	61	1	[	[	X
eurjchem-322	61	2	15	15	NUM
eurjchem-322	61	3	]	]	PUNCT
eurjchem-322	61	4	.	.	PUNCT
eurjchem-322	62	1	geometrical	geometrical	ADJ
eurjchem-322	62	2	optimizations	optimization	NOUN
eurjchem-322	62	3	were	be	AUX
eurjchem-322	62	4	carried	carry	VERB
eurjchem-322	62	5	at	at	ADP
eurjchem-322	62	6	b3lyp/6	b3lyp/6	PROPN
eurjchem-322	62	7	–	–	PUNCT
eurjchem-322	62	8	311g++	311g++	NUM
eurjchem-322	62	9	(	(	PUNCT
eurjchem-322	62	10	d	d	NOUN
eurjchem-322	62	11	,	,	PUNCT
eurjchem-322	62	12	p	p	NOUN
eurjchem-322	62	13	)	)	PUNCT
eurjchem-322	62	14	level	level	NOUN
eurjchem-322	62	15	of	of	ADP
eurjchem-322	62	16	theory	theory	NOUN
eurjchem-322	62	17	.	.	PUNCT
eurjchem-322	63	1	b3lyp	b3lyp	PROPN
eurjchem-322	63	2	refers	refer	VERB
eurjchem-322	63	3	to	to	ADP
eurjchem-322	63	4	the	the	DET
eurjchem-322	63	5	combination	combination	NOUN
eurjchem-322	63	6	of	of	ADP
eurjchem-322	63	7	functional	functional	ADJ
eurjchem-322	63	8	hybrid	hybrid	ADJ
eurjchem-322	63	9	exchange	exchange	NOUN
eurjchem-322	63	10	of	of	ADP
eurjchem-322	63	11	becke	becke	NOUN
eurjchem-322	64	1	[	[	X
eurjchem-322	64	2	16	16	NUM
eurjchem-322	64	3	]	]	PUNCT
eurjchem-322	64	4	with	with	ADP
eurjchem-322	64	5	the	the	DET
eurjchem-322	64	6	functional	functional	ADJ
eurjchem-322	64	7	correlation	correlation	NOUN
eurjchem-322	64	8	gradient	gradient	NOUN
eurjchem-322	64	9	of	of	ADP
eurjchem-322	64	10	lee	lee	PROPN
eurjchem-322	64	11	&	&	CCONJ
eurjchem-322	64	12	yang	yang	PROPN
eurjchem-322	65	1	[	[	X
eurjchem-322	65	2	17	17	NUM
eurjchem-322	65	3	]	]	PUNCT
eurjchem-322	65	4	.	.	PUNCT
eurjchem-322	66	1	the	the	DET
eurjchem-322	66	2	notation	notation	NOUN
eurjchem-322	66	3	6	6	NUM
eurjchem-322	66	4	–	–	PUNCT
eurjchem-322	66	5	311g++	311g++	NUM
eurjchem-322	66	6	(	(	PUNCT
eurjchem-322	66	7	d	d	NOUN
eurjchem-322	66	8	,	,	PUNCT
eurjchem-322	66	9	p	p	NOUN
eurjchem-322	66	10	)	)	PUNCT
eurjchem-322	66	11	refers	refer	VERB
eurjchem-322	66	12	to	to	ADP
eurjchem-322	66	13	a	a	DET
eurjchem-322	66	14	set	set	NOUN
eurjchem-322	66	15	of	of	ADP
eurjchem-322	66	16	split	split	ADJ
eurjchem-322	66	17	valence	valence	NOUN
eurjchem-322	66	18	polarized	polarize	VERB
eurjchem-322	66	19	bases	basis	NOUN
eurjchem-322	66	20	[	[	X
eurjchem-322	66	21	18	18	NUM
eurjchem-322	66	22	]	]	PUNCT
eurjchem-322	66	23	.	.	PUNCT
eurjchem-322	67	1	since	since	SCONJ
eurjchem-322	67	2	all	all	DET
eurjchem-322	67	3	the	the	DET
eurjchem-322	67	4	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	67	5	with	with	ADP
eurjchem-322	67	6	pharmacological	pharmacological	ADJ
eurjchem-322	67	7	interest	interest	NOUN
eurjchem-322	67	8	have	have	VERB
eurjchem-322	67	9	a	a	DET
eurjchem-322	67	10	boat	boat	NOUN
eurjchem-322	67	11	conformation	conformation	NOUN
eurjchem-322	67	12	for	for	ADP
eurjchem-322	67	13	the	the	DET
eurjchem-322	67	14	diazepine	diazepine	NOUN
eurjchem-322	67	15	ring	ring	NOUN
eurjchem-322	67	16	in	in	ADP
eurjchem-322	67	17	the	the	DET
eurjchem-322	67	18	solid	solid	ADJ
eurjchem-322	67	19	state	state	NOUN
eurjchem-322	67	20	and	and	CCONJ
eurjchem-322	67	21	all	all	DET
eurjchem-322	67	22	the	the	DET
eurjchem-322	67	23	models	model	NOUN
eurjchem-322	67	24	concerning	concern	VERB
eurjchem-322	67	25	the	the	DET
eurjchem-322	67	26	interaction	interaction	NOUN
eurjchem-322	67	27	with	with	ADP
eurjchem-322	67	28	receptors	receptor	NOUN
eurjchem-322	67	29	are	be	AUX
eurjchem-322	67	30	based	base	VERB
eurjchem-322	67	31	on	on	ADP
eurjchem-322	67	32	the	the	DET
eurjchem-322	67	33	boat	boat	NOUN
eurjchem-322	67	34	conformation	conformation	NOUN
eurjchem-322	67	35	,	,	PUNCT
eurjchem-322	67	36	this	this	PRON
eurjchem-322	67	37	was	be	AUX
eurjchem-322	67	38	assumed	assume	VERB
eurjchem-322	67	39	as	as	ADP
eurjchem-322	67	40	the	the	DET
eurjchem-322	67	41	starting	starting	NOUN
eurjchem-322	67	42	structure	structure	NOUN
eurjchem-322	67	43	for	for	ADP
eurjchem-322	67	44	optimization	optimization	NOUN
eurjchem-322	67	45	.	.	PUNCT
eurjchem-322	68	1	for	for	ADP
eurjchem-322	68	2	the	the	DET
eurjchem-322	68	3	same	same	ADJ
eurjchem-322	68	4	level	level	NOUN
eurjchem-322	68	5	of	of	ADP
eurjchem-322	68	6	theory	theory	NOUN
eurjchem-322	68	7	,	,	PUNCT
eurjchem-322	68	8	vibrational	vibrational	ADJ
eurjchem-322	68	9	frequencies	frequency	NOUN
eurjchem-322	68	10	for	for	ADP
eurjchem-322	68	11	all	all	DET
eurjchem-322	68	12	compounds	compound	NOUN
eurjchem-322	68	13	were	be	AUX
eurjchem-322	68	14	calculated	calculate	VERB
eurjchem-322	68	15	to	to	PART
eurjchem-322	68	16	verify	verify	VERB
eurjchem-322	68	17	that	that	SCONJ
eurjchem-322	68	18	the	the	DET
eurjchem-322	68	19	structure	structure	NOUN
eurjchem-322	68	20	converged	converge	VERB
eurjchem-322	68	21	to	to	ADP
eurjchem-322	68	22	a	a	DET
eurjchem-322	68	23	minimum	minimum	NOUN
eurjchem-322	68	24	using	use	VERB
eurjchem-322	68	25	the	the	DET
eurjchem-322	68	26	zero	zero	NUM
eurjchem-322	68	27	imaginary	imaginary	ADJ
eurjchem-322	68	28	frequencies	frequency	NOUN
eurjchem-322	68	29	criterion	criterion	NOUN
eurjchem-322	68	30	.	.	PUNCT
eurjchem-322	69	1	molecular	molecular	ADJ
eurjchem-322	69	2	orbitals	orbital	NOUN
eurjchem-322	69	3	,	,	PUNCT
eurjchem-322	69	4	as	as	ADV
eurjchem-322	69	5	well	well	ADV
eurjchem-322	69	6	as	as	ADP
eurjchem-322	69	7	the	the	DET
eurjchem-322	69	8	charges	charge	NOUN
eurjchem-322	69	9	assigned	assign	VERB
eurjchem-322	69	10	to	to	ADP
eurjchem-322	69	11	each	each	DET
eurjchem-322	69	12	atom	atom	NOUN
eurjchem-322	69	13	,	,	PUNCT
eurjchem-322	69	14	were	be	AUX
eurjchem-322	69	15	made	make	VERB
eurjchem-322	69	16	by	by	ADP
eurjchem-322	69	17	natural	natural	ADJ
eurjchem-322	69	18	population	population	NOUN
eurjchem-322	69	19	analysis	analysis	NOUN
eurjchem-322	69	20	phase	phase	NOUN
eurjchem-322	69	21	(	(	PUNCT
eurjchem-322	69	22	npa	npa	NOUN
eurjchem-322	69	23	)	)	PUNCT
eurjchem-322	69	24	of	of	ADP
eurjchem-322	69	25	the	the	DET
eurjchem-322	69	26	natural	natural	ADJ
eurjchem-322	69	27	bond	bond	NOUN
eurjchem-322	69	28	orbital	orbital	ADJ
eurjchem-322	69	29	analysis	analysis	NOUN
eurjchem-322	69	30	(	(	PUNCT
eurjchem-322	69	31	nbo	nbo	PROPN
eurjchem-322	69	32	)	)	PUNCT
eurjchem-322	69	33	according	accord	VERB
eurjchem-322	69	34	to	to	ADP
eurjchem-322	69	35	carpenter	carpenter	NOUN
eurjchem-322	69	36	[	[	X
eurjchem-322	69	37	19	19	NUM
eurjchem-322	69	38	]	]	PUNCT
eurjchem-322	69	39	.	.	PUNCT
eurjchem-322	70	1	molecular	molecular	ADJ
eurjchem-322	70	2	representation	representation	NOUN
eurjchem-322	70	3	and	and	CCONJ
eurjchem-322	70	4	esp	esp	ADJ
eurjchem-322	70	5	mapped	map	VERB
eurjchem-322	70	6	surfaces	surface	NOUN
eurjchem-322	70	7	were	be	AUX
eurjchem-322	70	8	made	make	VERB
eurjchem-322	70	9	with	with	ADP
eurjchem-322	70	10	the	the	DET
eurjchem-322	70	11	program	program	NOUN
eurjchem-322	70	12	gaussview	gaussview	NOUN
eurjchem-322	70	13	3.0	3.0	NUM
eurjchem-322	71	1	[	[	X
eurjchem-322	71	2	20	20	NUM
eurjchem-322	71	3	]	]	PUNCT
eurjchem-322	71	4	.	.	PUNCT
eurjchem-322	72	1	3	3	X
eurjchem-322	72	2	.	.	NOUN
eurjchem-322	72	3	results	result	NOUN
eurjchem-322	72	4	and	and	CCONJ
eurjchem-322	72	5	discussion	discussion	NOUN
eurjchem-322	72	6	3.1	3.1	NUM
eurjchem-322	72	7	.	.	PUNCT
eurjchem-322	73	1	structures	structure	NOUN
eurjchem-322	73	2	of	of	ADP
eurjchem-322	73	3	bzs	bzs	NOUN
eurjchem-322	73	4	the	the	DET
eurjchem-322	73	5	bond	bond	NOUN
eurjchem-322	73	6	lengths	length	NOUN
eurjchem-322	73	7	in	in	ADP
eurjchem-322	73	8	all	all	DET
eurjchem-322	73	9	85	85	NUM
eurjchem-322	73	10	molecules	molecule	NOUN
eurjchem-322	73	11	for	for	ADP
eurjchem-322	73	12	the	the	DET
eurjchem-322	73	13	68	68	NUM
eurjchem-322	73	14	bz	bz	PROPN
eurjchem-322	73	15	structures	structure	NOUN
eurjchem-322	73	16	,	,	PUNCT
eurjchem-322	73	17	in	in	ADP
eurjchem-322	73	18	some	some	DET
eurjchem-322	73	19	structures	structure	NOUN
eurjchem-322	73	20	the	the	DET
eurjchem-322	73	21	numbers	number	NOUN
eurjchem-322	73	22	of	of	ADP
eurjchem-322	73	23	molecules	molecule	NOUN
eurjchem-322	73	24	in	in	ADP
eurjchem-322	73	25	the	the	DET
eurjchem-322	73	26	asymmetric	asymmetric	ADJ
eurjchem-322	73	27	unit	unit	NOUN
eurjchem-322	73	28	is	be	AUX
eurjchem-322	73	29	greater	great	ADJ
eurjchem-322	73	30	than	than	ADP
eurjchem-322	73	31	1	1	NUM
eurjchem-322	73	32	,	,	PUNCT
eurjchem-322	73	33	are	be	AUX
eurjchem-322	73	34	in	in	ADP
eurjchem-322	73	35	agreement	agreement	NOUN
eurjchem-322	73	36	with	with	ADP
eurjchem-322	73	37	the	the	DET
eurjchem-322	73	38	canonical	canonical	ADJ
eurjchem-322	73	39	structure	structure	NOUN
eurjchem-322	73	40	in	in	ADP
eurjchem-322	73	41	figure	figure	NOUN
eurjchem-322	73	42	1	1	NUM
eurjchem-322	73	43	.	.	PUNCT
eurjchem-322	74	1	tables	table	NOUN
eurjchem-322	74	2	of	of	ADP
eurjchem-322	74	3	bond	bond	NOUN
eurjchem-322	74	4	lengths	length	NOUN
eurjchem-322	74	5	and	and	CCONJ
eurjchem-322	74	6	angles	angle	NOUN
eurjchem-322	74	7	and	and	CCONJ
eurjchem-322	74	8	their	their	PRON
eurjchem-322	74	9	statistical	statistical	ADJ
eurjchem-322	74	10	analysis	analysis	NOUN
eurjchem-322	74	11	are	be	AUX
eurjchem-322	74	12	given	give	VERB
eurjchem-322	74	13	as	as	ADP
eurjchem-322	74	14	supplementary	supplementary	ADJ
eurjchem-322	74	15	data	datum	NOUN
eurjchem-322	74	16	.	.	PUNCT
eurjchem-322	75	1	in	in	ADP
eurjchem-322	75	2	all	all	DET
eurjchem-322	75	3	structures	structure	NOUN
eurjchem-322	75	4	the	the	DET
eurjchem-322	75	5	diazepine	diazepine	NOUN
eurjchem-322	75	6	ring	ring	NOUN
eurjchem-322	75	7	adopts	adopt	VERB
eurjchem-322	75	8	a	a	DET
eurjchem-322	75	9	boat	boat	NOUN
eurjchem-322	75	10	conformation	conformation	NOUN
eurjchem-322	75	11	with	with	ADP
eurjchem-322	75	12	a	a	DET
eurjchem-322	75	13	pseudo‐reflection	pseudo‐reflection	NOUN
eurjchem-322	75	14	plane	plane	NOUN
eurjchem-322	75	15	that	that	PRON
eurjchem-322	75	16	cuts	cut	VERB
eurjchem-322	75	17	medially	medially	ADV
eurjchem-322	75	18	the	the	DET
eurjchem-322	75	19	c7	c7	PROPN
eurjchem-322	75	20	–	–	PUNCT
eurjchem-322	75	21	c8	c8	PROPN
eurjchem-322	75	22	and	and	CCONJ
eurjchem-322	75	23	c11	c11	NOUN
eurjchem-322	75	24	–	–	PUNCT
eurjchem-322	75	25	c10	c10	VERB
eurjchem-322	75	26	bonds	bond	NOUN
eurjchem-322	75	27	of	of	ADP
eurjchem-322	75	28	the	the	DET
eurjchem-322	75	29	diazepine	diazepine	NOUN
eurjchem-322	75	30	and	and	CCONJ
eurjchem-322	75	31	passes	pass	VERB
eurjchem-322	75	32	through	through	ADP
eurjchem-322	75	33	the	the	DET
eurjchem-322	75	34	c3	c3	PROPN
eurjchem-322	75	35	atom	atom	NOUN
eurjchem-322	75	36	which	which	PRON
eurjchem-322	75	37	has	have	VERB
eurjchem-322	75	38	sp3	sp3	ADJ
eurjchem-322	75	39	hybridization	hybridization	NOUN
eurjchem-322	75	40	(	(	PUNCT
eurjchem-322	75	41	figure	figure	NOUN
eurjchem-322	75	42	2	2	NUM
eurjchem-322	75	43	)	)	PUNCT
eurjchem-322	75	44	.	.	PUNCT
eurjchem-322	76	1	from	from	ADP
eurjchem-322	76	2	the	the	DET
eurjchem-322	76	3	sixty	sixty	NUM
eurjchem-322	76	4	eight	eight	NUM
eurjchem-322	76	5	structures	structure	NOUN
eurjchem-322	76	6	analyzed	analyze	VERB
eurjchem-322	76	7	,	,	PUNCT
eurjchem-322	76	8	9	9	NUM
eurjchem-322	76	9	of	of	ADP
eurjchem-322	76	10	them	they	PRON
eurjchem-322	76	11	had	have	VERB
eurjchem-322	76	12	a	a	DET
eurjchem-322	76	13	–	–	PUNCT
eurjchem-322	76	14	br	br	NOUN
eurjchem-322	76	15	atom	atom	NOUN
eurjchem-322	76	16	as	as	ADP
eurjchem-322	76	17	substituent	substituent	NOUN
eurjchem-322	76	18	on	on	ADP
eurjchem-322	76	19	the	the	DET
eurjchem-322	76	20	c7	c7	PROPN
eurjchem-322	76	21	position	position	NOUN
eurjchem-322	76	22	,	,	PUNCT
eurjchem-322	76	23	4	4	NUM
eurjchem-322	76	24	of	of	ADP
eurjchem-322	76	25	them	they	PRON
eurjchem-322	76	26	were	be	AUX
eurjchem-322	76	27	–	–	PUNCT
eurjchem-322	76	28	no2	no2	NOUN
eurjchem-322	76	29	substituted	substitute	VERB
eurjchem-322	76	30	and	and	CCONJ
eurjchem-322	76	31	8	8	NUM
eurjchem-322	76	32	substituted	substitute	VERB
eurjchem-322	76	33	with	with	ADP
eurjchem-322	76	34	–	–	PUNCT
eurjchem-322	76	35	h.	h.	NOUN
eurjchem-322	76	36	the	the	DET
eurjchem-322	76	37	remainder	remainder	NOUN
eurjchem-322	76	38	had	have	VERB
eurjchem-322	76	39	–	–	PUNCT
eurjchem-322	76	40	cl	cl	NOUN
eurjchem-322	76	41	as	as	ADP
eurjchem-322	76	42	a	a	DET
eurjchem-322	76	43	substituent	substituent	NOUN
eurjchem-322	76	44	on	on	ADP
eurjchem-322	76	45	the	the	DET
eurjchem-322	76	46	c7	c7	PROPN
eurjchem-322	76	47	position	position	NOUN
eurjchem-322	76	48	.	.	PUNCT
eurjchem-322	77	1	in	in	ADP
eurjchem-322	77	2	the	the	DET
eurjchem-322	77	3	case	case	NOUN
eurjchem-322	77	4	of	of	ADP
eurjchem-322	77	5	atom	atom	PROPN
eurjchem-322	77	6	c2	c2	PROPN
eurjchem-322	77	7	’	'	PUNCT
eurjchem-322	77	8	,	,	PUNCT
eurjchem-322	77	9	16	16	NUM
eurjchem-322	77	10	of	of	ADP
eurjchem-322	77	11	the	the	DET
eurjchem-322	77	12	bzs	bzs	NOUN
eurjchem-322	77	13	had	have	VERB
eurjchem-322	77	14	–	–	PUNCT
eurjchem-322	77	15	cl	cl	NOUN
eurjchem-322	77	16	as	as	ADP
eurjchem-322	77	17	a	a	DET
eurjchem-322	77	18	substituent	substituent	NOUN
eurjchem-322	77	19	,	,	PUNCT
eurjchem-322	77	20	2	2	NUM
eurjchem-322	77	21	of	of	ADP
eurjchem-322	77	22	them	they	PRON
eurjchem-322	77	23	–	–	PUNCT
eurjchem-322	77	24	f	f	PROPN
eurjchem-322	77	25	and	and	CCONJ
eurjchem-322	77	26	the	the	DET
eurjchem-322	77	27	remainder	remainder	NOUN
eurjchem-322	77	28	an	an	DET
eurjchem-322	77	29	–	–	PUNCT
eurjchem-322	77	30	h	h	NOUN
eurjchem-322	77	31	atom	atom	NOUN
eurjchem-322	77	32	.	.	PUNCT
eurjchem-322	78	1	torsion	torsion	NOUN
eurjchem-322	78	2	angles	angle	VERB
eurjchem-322	78	3	t	t	PROPN
eurjchem-322	78	4	around	around	ADP
eurjchem-322	78	5	the	the	DET
eurjchem-322	78	6	c5	c5	PROPN
eurjchem-322	78	7	–	–	PUNCT
eurjchem-322	78	8	ph	ph	ADJ
eurjchem-322	78	9	bond	bond	NOUN
eurjchem-322	78	10	(	(	PUNCT
eurjchem-322	78	11	figure	figure	NOUN
eurjchem-322	78	12	3	3	NUM
eurjchem-322	78	13	)	)	PUNCT
eurjchem-322	78	14	show	show	VERB
eurjchem-322	78	15	a	a	DET
eurjchem-322	78	16	variation	variation	NOUN
eurjchem-322	78	17	within	within	ADP
eurjchem-322	78	18	the	the	DET
eurjchem-322	78	19	[	[	X
eurjchem-322	78	20	18‐47o	18‐47o	NUM
eurjchem-322	78	21	]	]	X
eurjchem-322	78	22	interval	interval	NOUN
eurjchem-322	78	23	range	range	NOUN
eurjchem-322	78	24	with	with	ADP
eurjchem-322	78	25	mean	mean	ADJ
eurjchem-322	78	26	value	value	NOUN
eurjchem-322	78	27	of	of	ADP
eurjchem-322	78	28	32o	32o	NOUN
eurjchem-322	78	29	for	for	ADP
eurjchem-322	78	30	compounds	compound	NOUN
eurjchem-322	78	31	with	with	ADP
eurjchem-322	78	32	c2’–h	c2’–h	ADJ
eurjchem-322	78	33	bond	bond	NOUN
eurjchem-322	78	34	.	.	PUNCT
eurjchem-322	79	1	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	79	2	with	with	ADP
eurjchem-322	79	3	a	a	DET
eurjchem-322	79	4	chlorine	chlorine	NOUN
eurjchem-322	79	5	atom	atom	NOUN
eurjchem-322	79	6	on	on	ADP
eurjchem-322	79	7	the	the	DET
eurjchem-322	79	8	c2	c2	PROPN
eurjchem-322	79	9	’	'	PUNCT
eurjchem-322	79	10	position	position	NOUN
eurjchem-322	79	11	exhibit	exhibit	VERB
eurjchem-322	79	12	a	a	DET
eurjchem-322	79	13	significant	significant	ADJ
eurjchem-322	79	14	higher	high	ADJ
eurjchem-322	79	15	torsion	torsion	NOUN
eurjchem-322	79	16	angle	angle	NOUN
eurjchem-322	79	17	lying	lie	VERB
eurjchem-322	79	18	within	within	ADP
eurjchem-322	79	19	the	the	DET
eurjchem-322	79	20	[	[	NOUN
eurjchem-322	79	21	51‐	51‐	NUM
eurjchem-322	79	22	76o	76o	NOUN
eurjchem-322	79	23	]	]	PUNCT
eurjchem-322	79	24	range	range	NOUN
eurjchem-322	79	25	with	with	ADP
eurjchem-322	79	26	mean	mean	NOUN
eurjchem-322	79	27	of	of	ADP
eurjchem-322	79	28	63o	63o	NUM
eurjchem-322	79	29	.	.	PUNCT
eurjchem-322	80	1	the	the	DET
eurjchem-322	80	2	only	only	ADJ
eurjchem-322	80	3	two	two	NUM
eurjchem-322	80	4	structures	structure	NOUN
eurjchem-322	80	5	with	with	ADP
eurjchem-322	80	6	a	a	DET
eurjchem-322	80	7	c2’–f	c2’–f	NOUN
eurjchem-322	80	8	substituent	substituent	NOUN
eurjchem-322	80	9	have	have	VERB
eurjchem-322	80	10	a	a	DET
eurjchem-322	80	11	torsion	torsion	NOUN
eurjchem-322	80	12	angle	angle	NOUN
eurjchem-322	80	13	of	of	ADP
eurjchem-322	80	14	43o	43o	NOUN
eurjchem-322	80	15	.	.	PUNCT
eurjchem-322	81	1	figure	figure	NOUN
eurjchem-322	81	2	2	2	NUM
eurjchem-322	81	3	.	.	PUNCT
eurjchem-322	81	4	schematic	schematic	ADJ
eurjchem-322	81	5	representation	representation	NOUN
eurjchem-322	81	6	of	of	ADP
eurjchem-322	81	7	the	the	DET
eurjchem-322	81	8	“	"	PUNCT
eurjchem-322	81	9	boat	boat	NOUN
eurjchem-322	81	10	”	"	PUNCT
eurjchem-322	81	11	conformation	conformation	NOUN
eurjchem-322	81	12	for	for	ADP
eurjchem-322	81	13	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	81	14	.	.	PUNCT
eurjchem-322	82	1	the	the	DET
eurjchem-322	82	2	parameters	parameter	NOUN
eurjchem-322	82	3	adopted	adopt	VERB
eurjchem-322	82	4	for	for	ADP
eurjchem-322	82	5	the	the	DET
eurjchem-322	82	6	conformational	conformational	ADJ
eurjchem-322	82	7	analysis	analysis	NOUN
eurjchem-322	82	8	are	be	AUX
eurjchem-322	82	9	a	a	DET
eurjchem-322	82	10	(	(	PUNCT
eurjchem-322	82	11	the	the	DET
eurjchem-322	82	12	c10	c10	PROPN
eurjchem-322	82	13	–	–	PUNCT
eurjchem-322	82	14	c5	c5	PROPN
eurjchem-322	82	15	–	–	PUNCT
eurjchem-322	82	16	n4	n4	PROPN
eurjchem-322	82	17	angle	angle	PROPN
eurjchem-322	82	18	)	)	PUNCT
eurjchem-322	82	19	;	;	PUNCT
eurjchem-322	82	20	b	b	X
eurjchem-322	82	21	(	(	PUNCT
eurjchem-322	82	22	the	the	DET
eurjchem-322	82	23	c5	c5	PROPN
eurjchem-322	82	24	–	–	PUNCT
eurjchem-322	82	25	n4	n4	PROPN
eurjchem-322	82	26	–	–	PUNCT
eurjchem-322	82	27	c3	c3	PROPN
eurjchem-322	82	28	angle	angle	NOUN
eurjchem-322	82	29	)	)	PUNCT
eurjchem-322	82	30	and	and	CCONJ
eurjchem-322	82	31	t	t	PROPN
eurjchem-322	82	32	(	(	PUNCT
eurjchem-322	82	33	torsion	torsion	NOUN
eurjchem-322	82	34	angle	angle	NOUN
eurjchem-322	82	35	around	around	ADP
eurjchem-322	82	36	bond	bond	NOUN
eurjchem-322	82	37	c5	c5	PROPN
eurjchem-322	82	38	–	–	PUNCT
eurjchem-322	82	39	ph	ph	NOUN
eurjchem-322	82	40	)	)	PUNCT
eurjchem-322	82	41	.	.	PUNCT
eurjchem-322	83	1	gomes	gome	NOUN
eurjchem-322	83	2	et	et	PROPN
eurjchem-322	83	3	al	al	PROPN
eurjchem-322	83	4	.	.	PUNCT
eurjchem-322	83	5	/	/	SYM
eurjchem-322	83	6	european	european	PROPN
eurjchem-322	83	7	journal	journal	PROPN
eurjchem-322	83	8	of	of	ADP
eurjchem-322	83	9	chemistry	chemistry	NOUN
eurjchem-322	83	10	2	2	NUM
eurjchem-322	83	11	(	(	PUNCT
eurjchem-322	83	12	1	1	NUM
eurjchem-322	83	13	)	)	PUNCT
eurjchem-322	83	14	(	(	PUNCT
eurjchem-322	83	15	2011	2011	NUM
eurjchem-322	83	16	)	)	PUNCT
eurjchem-322	84	1	1‐7	1‐7	NOUN
eurjchem-322	84	2	3	3	NUM
eurjchem-322	84	3	table	table	NOUN
eurjchem-322	84	4	1	1	NUM
eurjchem-322	84	5	.	.	PUNCT
eurjchem-322	84	6	common	common	ADJ
eurjchem-322	84	7	name	name	NOUN
eurjchem-322	84	8	,	,	PUNCT
eurjchem-322	84	9	systematic	systematic	ADJ
eurjchem-322	84	10	name	name	NOUN
eurjchem-322	84	11	and	and	CCONJ
eurjchem-322	84	12	adopted	adopt	VERB
eurjchem-322	84	13	notation	notation	NOUN
eurjchem-322	84	14	for	for	ADP
eurjchem-322	84	15	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	84	16	belonging	belong	VERB
eurjchem-322	84	17	to	to	ADP
eurjchem-322	84	18	group	group	NOUN
eurjchem-322	84	19	1	1	NUM
eurjchem-322	84	20	and	and	CCONJ
eurjchem-322	84	21	group	group	NOUN
eurjchem-322	84	22	2	2	NUM
eurjchem-322	84	23	.	.	PUNCT
eurjchem-322	84	24	group	group	NOUN
eurjchem-322	84	25	common	common	ADJ
eurjchem-322	84	26	name	name	NOUN
eurjchem-322	84	27	systematic	systematic	ADJ
eurjchem-322	84	28	name	name	NOUN
eurjchem-322	84	29	(	(	PUNCT
eurjchem-322	84	30	international	international	ADJ
eurjchem-322	84	31	)	)	PUNCT
eurjchem-322	84	32	adopted	adopt	VERB
eurjchem-322	84	33	notation	notation	NOUN
eurjchem-322	84	34	1	1	NUM
eurjchem-322	84	35	diazepam	diazepam	NOUN
eurjchem-322	84	36	1.a	1.a	NUM
eurjchem-322	84	37	(	(	PUNCT
eurjchem-322	84	38	rs)‐7‐chloro‐1,3‐dihydro‐	rs)‐7‐chloro‐1,3‐dihydro‐	PROPN
eurjchem-322	84	39	1‐methyl‐5‐phenyl‐	1‐methyl‐5‐phenyl‐	PROPN
eurjchem-322	84	40	1,4‐benzodiazepin‐2(2h)‐one	1,4‐benzodiazepin‐2(2h)‐one	NUM
eurjchem-322	84	41	.	.	PUNCT
eurjchem-322	85	1	7‐cl‐1‐me‐2’h‐bz	7‐cl‐1‐me‐2’h‐bz	NUM
eurjchem-322	85	2	flurazepam	flurazepam	VERB
eurjchem-322	85	3	1.b	1.b	NUM
eurjchem-322	85	4	(	(	PUNCT
eurjchem-322	85	5	rs)‐7‐chloro‐1‐[2‐(diethylamino)ethyl]‐5‐(2‐	rs)‐7‐chloro‐1‐[2‐(diethylamino)ethyl]‐5‐(2‐	PROPN
eurjchem-322	85	6	fluorophenyl)‐1,3‐dihydro‐2h‐1,4‐benzodiazepin‐2‐one	fluorophenyl)‐1,3‐dihydro‐2h‐1,4‐benzodiazepin‐2‐one	NUM
eurjchem-322	85	7	7‐cl‐1‐n(et)3‐2’f‐bz	7‐cl‐1‐n(et)3‐2’f‐bz	NUM
eurjchem-322	85	8	desalkylflurazepam	desalkylflurazepam	VERB
eurjchem-322	85	9	1.c	1.c	NUM
eurjchem-322	85	10	(	(	PUNCT
eurjchem-322	85	11	rs)‐7‐chloro‐5‐(2‐fluorophenyl)‐1,3‐dihydro‐2h‐1,4‐	rs)‐7‐chloro‐5‐(2‐fluorophenyl)‐1,3‐dihydro‐2h‐1,4‐	NOUN
eurjchem-322	85	12	benzodiazepin‐2‐one	benzodiazepin‐2‐one	NUM
eurjchem-322	85	13	7‐cl‐2’f‐bz	7‐cl‐2’f‐bz	NOUN
eurjchem-322	85	14	hydroxyethylflurazepam	hydroxyethylflurazepam	VERB
eurjchem-322	85	15	1.d	1.d	NUM
eurjchem-322	85	16	(	(	PUNCT
eurjchem-322	85	17	rs)‐7‐chloro‐1‐[2‐(hydroxy)ethyl]‐5‐(2‐fluorophenyl)‐	rs)‐7‐chloro‐1‐[2‐(hydroxy)ethyl]‐5‐(2‐fluorophenyl)‐	X
eurjchem-322	85	18	1,3‐dihydro‐2h‐1,4‐benzodiazepin‐2‐one	1,3‐dihydro‐2h‐1,4‐benzodiazepin‐2‐one	NUM
eurjchem-322	85	19	7‐cl‐1‐oh‐2’f‐bz	7‐cl‐1‐oh‐2’f‐bz	NUM
eurjchem-322	85	20	2	2	NUM
eurjchem-322	85	21	nitrazepam	nitrazepam	NOUN
eurjchem-322	85	22	2.a	2.a	NUM
eurjchem-322	85	23	(	(	PUNCT
eurjchem-322	85	24	rs)‐9‐nitro‐	rs)‐9‐nitro‐	PROPN
eurjchem-322	85	25	6‐phenyl‐	6‐phenyl‐	NUM
eurjchem-322	85	26	2,5‐diazabicyclo	2,5‐diazabicyclo	NUM
eurjchem-322	86	1	[	[	X
eurjchem-322	86	2	5.4.0	5.4.0	X
eurjchem-322	86	3	]	]	X
eurjchem-322	86	4	undeca‐	undeca‐	PROPN
eurjchem-322	86	5	5,8,10,12‐	5,8,10,12‐	PROPN
eurjchem-322	86	6	tetraen‐	tetraen‐	NOUN
eurjchem-322	86	7	3‐one	3‐one	NUM
eurjchem-322	86	8	7‐no2‐2’h‐bz	7‐no2‐2’h‐bz	NUM
eurjchem-322	86	9	clonazepam	clonazepam	NOUN
eurjchem-322	86	10	2.b	2.b	NUM
eurjchem-322	86	11	(	(	PUNCT
eurjchem-322	86	12	rs)‐	rs)‐	PROPN
eurjchem-322	86	13	5‐(2‐chlorphenyl)‐7‐nitro‐2,3‐dihydro‐1,4‐	5‐(2‐chlorphenyl)‐7‐nitro‐2,3‐dihydro‐1,4‐	NUM
eurjchem-322	86	14	benzodiazepin‐2(2h)‐one	benzodiazepin‐2(2h)‐one	NOUN
eurjchem-322	86	15	7‐no2‐2’cl‐bz	7‐no2‐2’cl‐bz	NUM
eurjchem-322	86	16	flunitrazepam	flunitrazepam	NOUN
eurjchem-322	86	17	2.c	2.c	NUM
eurjchem-322	86	18	6‐(2‐fluorophenyl)‐	6‐(2‐fluorophenyl)‐	NOUN
eurjchem-322	86	19	2‐methyl‐	2‐methyl‐	NUM
eurjchem-322	87	1	9‐nitro‐	9‐nitro‐	NUM
eurjchem-322	87	2	2,5‐diazabicyclo	2,5‐diazabicyclo	NUM
eurjchem-322	88	1	[	[	X
eurjchem-322	88	2	5.4.0	5.4.0	X
eurjchem-322	88	3	]	]	X
eurjchem-322	88	4	undeca‐	undeca‐	PROPN
eurjchem-322	88	5	5,8,10,12‐	5,8,10,12‐	PROPN
eurjchem-322	88	6	tetraen‐	tetraen‐	NUM
eurjchem-322	88	7	3‐one	3‐one	NUM
eurjchem-322	88	8	7‐no2‐1me‐2’f‐bz	7‐no2‐1me‐2’f‐bz	NUM
eurjchem-322	88	9	desmethylflunitrazepam	desmethylflunitrazepam	NOUN
eurjchem-322	88	10	2.d	2.d	NUM
eurjchem-322	88	11	6‐(2‐fluorophenyl)‐	6‐(2‐fluorophenyl)‐	NOUN
eurjchem-322	89	1	9‐nitro‐	9‐nitro‐	NUM
eurjchem-322	89	2	2,5‐diazabicyclo	2,5‐diazabicyclo	NUM
eurjchem-322	90	1	[	[	X
eurjchem-322	90	2	5.4.0	5.4.0	X
eurjchem-322	90	3	]	]	X
eurjchem-322	90	4	undeca‐	undeca‐	PROPN
eurjchem-322	90	5	5,8,10,12‐	5,8,10,12‐	PROPN
eurjchem-322	90	6	tetraen‐	tetraen‐	NUM
eurjchem-322	90	7	3‐one	3‐one	NUM
eurjchem-322	90	8	7‐no2‐2’f‐bz	7‐no2‐2’f‐bz	NUM
eurjchem-322	90	9	nitroflurazepam	nitroflurazepam	NOUN
eurjchem-322	90	10	2.e	2.e	NUM
eurjchem-322	90	11	(	(	PUNCT
eurjchem-322	90	12	rs)‐7‐nitro‐1‐[2‐(diethylamino)ethyl]‐5‐(2‐	rs)‐7‐nitro‐1‐[2‐(diethylamino)ethyl]‐5‐(2‐	NUM
eurjchem-322	90	13	fluorophenyl)‐1,3‐dihydro‐2h‐1,4‐benzodiazepin‐2‐one	fluorophenyl)‐1,3‐dihydro‐2h‐1,4‐benzodiazepin‐2‐one	NUM
eurjchem-322	90	14	7‐no2‐1‐n(et)3‐2’f‐bz	7‐no2‐1‐n(et)3‐2’f‐bz	NUM
eurjchem-322	90	15	desalkylnitraflurazepam	desalkylnitraflurazepam	NOUN
eurjchem-322	90	16	2.f	2.f	NUM
eurjchem-322	90	17	(	(	PUNCT
eurjchem-322	90	18	rs)‐7‐nitro‐1‐[2‐ethyl]‐5‐(2‐fluorophenyl)‐1,3‐dihydro‐	rs)‐7‐nitro‐1‐[2‐ethyl]‐5‐(2‐fluorophenyl)‐1,3‐dihydro‐	VERB
eurjchem-322	90	19	3hydroxy‐2h‐1,4‐benzodiazepin‐2‐one	3hydroxy‐2h‐1,4‐benzodiazepin‐2‐one	NOUN
eurjchem-322	90	20	7‐no2‐1‐et‐3oh‐2’f‐bz	7‐no2‐1‐et‐3oh‐2’f‐bz	NUM
eurjchem-322	90	21	1.a	1.a	NUM
eurjchem-322	90	22	1.b	1.b	NUM
eurjchem-322	90	23	1.c	1.c	NUM
eurjchem-322	90	24	figure	figure	NOUN
eurjchem-322	90	25	3	3	NUM
eurjchem-322	90	26	.	.	PUNCT
eurjchem-322	90	27	representation	representation	NOUN
eurjchem-322	90	28	of	of	ADP
eurjchem-322	90	29	the	the	DET
eurjchem-322	90	30	1.a	1.a	NUM
eurjchem-322	90	31	,	,	PUNCT
eurjchem-322	90	32	1.b	1.b	NUM
eurjchem-322	90	33	and	and	CCONJ
eurjchem-322	90	34	1.c	1.c	NUM
eurjchem-322	90	35	obtained	obtain	VERB
eurjchem-322	90	36	from	from	ADP
eurjchem-322	90	37	gas	gas	NOUN
eurjchem-322	90	38	phase	phase	NOUN
eurjchem-322	90	39	geometry	geometry	NOUN
eurjchem-322	90	40	optimization	optimization	NOUN
eurjchem-322	90	41	carry	carry	VERB
eurjchem-322	90	42	out	out	ADP
eurjchem-322	90	43	at	at	ADP
eurjchem-322	90	44	b3lyp/6–311g++	b3lyp/6–311g++	PROPN
eurjchem-322	90	45	(	(	PUNCT
eurjchem-322	90	46	d	d	PROPN
eurjchem-322	90	47	,	,	PUNCT
eurjchem-322	90	48	p	p	NOUN
eurjchem-322	90	49	)	)	PUNCT
eurjchem-322	90	50	level	level	NOUN
eurjchem-322	90	51	of	of	ADP
eurjchem-322	90	52	theory	theory	NOUN
eurjchem-322	90	53	.	.	PUNCT
eurjchem-322	91	1	when	when	SCONJ
eurjchem-322	91	2	there	there	PRON
eurjchem-322	91	3	is	be	VERB
eurjchem-322	91	4	an	an	DET
eurjchem-322	91	5	h	h	NOUN
eurjchem-322	91	6	atom	atom	NOUN
eurjchem-322	91	7	on	on	ADP
eurjchem-322	91	8	n1	n1	PROPN
eurjchem-322	91	9	these	these	DET
eurjchem-322	91	10	compounds	compound	NOUN
eurjchem-322	91	11	form	form	VERB
eurjchem-322	91	12	n1	n1	NOUN
eurjchem-322	91	13	…	…	SYM
eurjchem-322	91	14	o2	o2	ADJ
eurjchem-322	91	15	dimers	dimer	NOUN
eurjchem-322	91	16	.	.	PUNCT
eurjchem-322	92	1	in	in	ADP
eurjchem-322	92	2	the	the	DET
eurjchem-322	92	3	presence	presence	NOUN
eurjchem-322	92	4	of	of	ADP
eurjchem-322	92	5	competitive	competitive	ADJ
eurjchem-322	92	6	donors	donor	NOUN
eurjchem-322	92	7	or	or	CCONJ
eurjchem-322	92	8	acceptors	acceptor	NOUN
eurjchem-322	92	9	,	,	PUNCT
eurjchem-322	92	10	this	this	PRON
eurjchem-322	92	11	is	be	AUX
eurjchem-322	92	12	rarely	rarely	ADV
eurjchem-322	92	13	the	the	DET
eurjchem-322	92	14	case	case	NOUN
eurjchem-322	92	15	.	.	PUNCT
eurjchem-322	93	1	in	in	ADP
eurjchem-322	93	2	other	other	ADJ
eurjchem-322	93	3	cases	case	NOUN
eurjchem-322	93	4	,	,	PUNCT
eurjchem-322	93	5	when	when	SCONJ
eurjchem-322	93	6	there	there	PRON
eurjchem-322	93	7	are	be	VERB
eurjchem-322	93	8	hydrogen	hydrogen	NOUN
eurjchem-322	93	9	donors	donor	NOUN
eurjchem-322	93	10	or	or	CCONJ
eurjchem-322	93	11	acceptors	acceptor	NOUN
eurjchem-322	93	12	in	in	ADP
eurjchem-322	93	13	substituents	substituent	NOUN
eurjchem-322	93	14	or	or	CCONJ
eurjchem-322	93	15	in	in	ADP
eurjchem-322	93	16	solvent	solvent	ADJ
eurjchem-322	93	17	molecules	molecule	NOUN
eurjchem-322	93	18	,	,	PUNCT
eurjchem-322	93	19	the	the	DET
eurjchem-322	93	20	hydrogen	hydrogen	NOUN
eurjchem-322	93	21	bonding	bonding	NOUN
eurjchem-322	93	22	can	can	AUX
eurjchem-322	93	23	become	become	VERB
eurjchem-322	93	24	more	more	ADV
eurjchem-322	93	25	complicated	complicated	ADJ
eurjchem-322	93	26	.	.	PUNCT
eurjchem-322	94	1	this	this	PRON
eurjchem-322	94	2	may	may	AUX
eurjchem-322	94	3	explain	explain	VERB
eurjchem-322	94	4	,	,	PUNCT
eurjchem-322	94	5	in	in	ADP
eurjchem-322	94	6	part	part	NOUN
eurjchem-322	94	7	,	,	PUNCT
eurjchem-322	94	8	the	the	DET
eurjchem-322	94	9	divergence	divergence	NOUN
eurjchem-322	94	10	of	of	ADP
eurjchem-322	94	11	bonds	bond	NOUN
eurjchem-322	94	12	and	and	CCONJ
eurjchem-322	94	13	angles	angle	NOUN
eurjchem-322	94	14	from	from	ADP
eurjchem-322	94	15	the	the	DET
eurjchem-322	94	16	norm	norm	NOUN
eurjchem-322	94	17	for	for	ADP
eurjchem-322	94	18	some	some	PRON
eurjchem-322	94	19	of	of	ADP
eurjchem-322	94	20	the	the	DET
eurjchem-322	94	21	compounds	compound	NOUN
eurjchem-322	94	22	.	.	PUNCT
eurjchem-322	95	1	3.2	3.2	NUM
eurjchem-322	95	2	.	.	PUNCT
eurjchem-322	96	1	geometric	geometric	ADJ
eurjchem-322	96	2	optimizations	optimization	NOUN
eurjchem-322	96	3	geometry	geometry	NOUN
eurjchem-322	96	4	optimizations	optimization	NOUN
eurjchem-322	96	5	(	(	PUNCT
eurjchem-322	96	6	in	in	ADP
eurjchem-322	96	7	gaseous	gaseous	ADJ
eurjchem-322	96	8	state	state	NOUN
eurjchem-322	96	9	)	)	PUNCT
eurjchem-322	96	10	were	be	AUX
eurjchem-322	96	11	made	make	VERB
eurjchem-322	96	12	using	use	VERB
eurjchem-322	96	13	the	the	DET
eurjchem-322	96	14	gaussian	gaussian	ADJ
eurjchem-322	96	15	03	03	NUM
eurjchem-322	96	16	program	program	NOUN
eurjchem-322	96	17	[	[	X
eurjchem-322	96	18	15	15	NUM
eurjchem-322	96	19	]	]	X
eurjchem-322	96	20	,	,	PUNCT
eurjchem-322	96	21	which	which	PRON
eurjchem-322	96	22	performs	perform	VERB
eurjchem-322	96	23	the	the	DET
eurjchem-322	96	24	optimization	optimization	NOUN
eurjchem-322	96	25	of	of	ADP
eurjchem-322	96	26	the	the	DET
eurjchem-322	96	27	geometry	geometry	NOUN
eurjchem-322	96	28	of	of	ADP
eurjchem-322	96	29	the	the	DET
eurjchem-322	96	30	molecule	molecule	NOUN
eurjchem-322	96	31	by	by	ADP
eurjchem-322	96	32	density	density	NOUN
eurjchem-322	96	33	functional	functional	ADJ
eurjchem-322	96	34	theory	theory	NOUN
eurjchem-322	96	35	(	(	PUNCT
eurjchem-322	96	36	dft	dft	NOUN
eurjchem-322	96	37	)	)	PUNCT
eurjchem-322	96	38	methods	method	NOUN
eurjchem-322	96	39	.	.	PUNCT
eurjchem-322	97	1	the	the	DET
eurjchem-322	97	2	geometry	geometry	NOUN
eurjchem-322	97	3	is	be	AUX
eurjchem-322	97	4	optimized	optimize	VERB
eurjchem-322	97	5	as	as	ADP
eurjchem-322	97	6	a	a	DET
eurjchem-322	97	7	criterion	criterion	NOUN
eurjchem-322	97	8	of	of	ADP
eurjchem-322	97	9	the	the	DET
eurjchem-322	97	10	minimization	minimization	NOUN
eurjchem-322	97	11	of	of	ADP
eurjchem-322	97	12	energy	energy	NOUN
eurjchem-322	97	13	of	of	ADP
eurjchem-322	97	14	the	the	DET
eurjchem-322	97	15	molecule	molecule	NOUN
eurjchem-322	97	16	,	,	PUNCT
eurjchem-322	97	17	calculated	calculate	VERB
eurjchem-322	97	18	by	by	ADP
eurjchem-322	97	19	quantum	quantum	ADJ
eurjchem-322	97	20	chemical	chemical	NOUN
eurjchem-322	97	21	methods	method	NOUN
eurjchem-322	97	22	.	.	PUNCT
eurjchem-322	98	1	in	in	ADP
eurjchem-322	98	2	order	order	NOUN
eurjchem-322	98	3	to	to	PART
eurjchem-322	98	4	evaluate	evaluate	VERB
eurjchem-322	98	5	the	the	DET
eurjchem-322	98	6	structural	structural	ADJ
eurjchem-322	98	7	and	and	CCONJ
eurjchem-322	98	8	electronic	electronic	ADJ
eurjchem-322	98	9	effects	effect	NOUN
eurjchem-322	98	10	of	of	ADP
eurjchem-322	98	11	–	–	PUNCT
eurjchem-322	98	12	no2	no2	NOUN
eurjchem-322	98	13	and	and	CCONJ
eurjchem-322	98	14	–	–	PUNCT
eurjchem-322	98	15	cl	cl	NOUN
eurjchem-322	98	16	substituents	substituent	NOUN
eurjchem-322	98	17	at	at	ADP
eurjchem-322	98	18	the	the	DET
eurjchem-322	98	19	c7	c7	PROPN
eurjchem-322	98	20	position	position	NOUN
eurjchem-322	98	21	and	and	CCONJ
eurjchem-322	98	22	the	the	DET
eurjchem-322	98	23	effect	effect	NOUN
eurjchem-322	98	24	of	of	ADP
eurjchem-322	98	25	–	–	PUNCT
eurjchem-322	98	26	h	h	NOUN
eurjchem-322	98	27	,	,	PUNCT
eurjchem-322	98	28	–	–	PUNCT
eurjchem-322	98	29	cl	cl	NOUN
eurjchem-322	98	30	,	,	PUNCT
eurjchem-322	98	31	and	and	CCONJ
eurjchem-322	98	32	–	–	PUNCT
eurjchem-322	98	33	f	f	NOUN
eurjchem-322	98	34	substituents	substituent	NOUN
eurjchem-322	98	35	at	at	ADP
eurjchem-322	98	36	the	the	DET
eurjchem-322	98	37	c2	c2	PROPN
eurjchem-322	98	38	'	'	PART
eurjchem-322	98	39	positions	position	NOUN
eurjchem-322	98	40	in	in	ADP
eurjchem-322	98	41	bzs	bzs	NOUN
eurjchem-322	98	42	,	,	PUNCT
eurjchem-322	98	43	the	the	DET
eurjchem-322	98	44	compounds	compound	NOUN
eurjchem-322	98	45	were	be	AUX
eurjchem-322	98	46	grouped	group	VERB
eurjchem-322	98	47	into	into	ADP
eurjchem-322	98	48	two	two	NUM
eurjchem-322	98	49	sets	set	NOUN
eurjchem-322	98	50	as	as	SCONJ
eurjchem-322	98	51	shown	show	VERB
eurjchem-322	98	52	in	in	ADP
eurjchem-322	98	53	table	table	NOUN
eurjchem-322	98	54	1	1	NUM
eurjchem-322	98	55	:	:	PUNCT
eurjchem-322	98	56	i	i	NOUN
eurjchem-322	98	57	)	)	PUNCT
eurjchem-322	98	58	the	the	DET
eurjchem-322	98	59	first	first	ADJ
eurjchem-322	98	60	consists	consist	VERB
eurjchem-322	98	61	of	of	ADP
eurjchem-322	98	62	the	the	DET
eurjchem-322	98	63	compounds	compound	NOUN
eurjchem-322	98	64	with	with	ADP
eurjchem-322	98	65	a	a	DET
eurjchem-322	98	66	c7	c7	PROPN
eurjchem-322	98	67	–	–	PUNCT
eurjchem-322	98	68	cl	cl	NOUN
eurjchem-322	98	69	substitution	substitution	NOUN
eurjchem-322	98	70	,	,	PUNCT
eurjchem-322	98	71	the	the	DET
eurjchem-322	98	72	reference	reference	NOUN
eurjchem-322	98	73	compound	compound	NOUN
eurjchem-322	98	74	used	use	VERB
eurjchem-322	98	75	being	be	AUX
eurjchem-322	98	76	diazepam	diazepam	NOUN
eurjchem-322	98	77	,	,	PUNCT
eurjchem-322	98	78	ii	ii	PROPN
eurjchem-322	98	79	)	)	PUNCT
eurjchem-322	99	1	the	the	DET
eurjchem-322	99	2	second	second	ADJ
eurjchem-322	99	3	consists	consist	VERB
eurjchem-322	99	4	of	of	ADP
eurjchem-322	99	5	compounds	compound	NOUN
eurjchem-322	99	6	with	with	ADP
eurjchem-322	99	7	a	a	DET
eurjchem-322	99	8	c7	c7	PROPN
eurjchem-322	99	9	–	–	PUNCT
eurjchem-322	99	10	no2	no2	NOUN
eurjchem-322	99	11	substitution	substitution	NOUN
eurjchem-322	99	12	,	,	PUNCT
eurjchem-322	99	13	the	the	DET
eurjchem-322	99	14	reference	reference	NOUN
eurjchem-322	99	15	compound	compound	NOUN
eurjchem-322	99	16	being	be	AUX
eurjchem-322	99	17	nitrazepam	nitrazepam	ADJ
eurjchem-322	99	18	.	.	PUNCT
eurjchem-322	100	1	the	the	DET
eurjchem-322	100	2	first	first	ADJ
eurjchem-322	100	3	group	group	NOUN
eurjchem-322	100	4	consists	consist	VERB
eurjchem-322	100	5	of	of	ADP
eurjchem-322	100	6	diazepam	diazepam	NOUN
eurjchem-322	100	7	1.a	1.a	NUM
eurjchem-322	100	8	,	,	PUNCT
eurjchem-322	100	9	flurazepam	flurazepam	VERB
eurjchem-322	100	10	1.b	1.b	NUM
eurjchem-322	100	11	,	,	PUNCT
eurjchem-322	100	12	and	and	CCONJ
eurjchem-322	100	13	the	the	DET
eurjchem-322	100	14	desalkylflurazepam	desalkylflurazepam	PROPN
eurjchem-322	100	15	1.c	1.c	NUM
eurjchem-322	100	16	,	,	PUNCT
eurjchem-322	100	17	hydroxyethylflurazepam	hydroxyethylflurazepam	NOUN
eurjchem-322	100	18	1.d	1.d	NUM
eurjchem-322	100	19	,	,	PUNCT
eurjchem-322	100	20	(	(	PUNCT
eurjchem-322	100	21	last	last	ADJ
eurjchem-322	100	22	two	two	NUM
eurjchem-322	100	23	being	be	AUX
eurjchem-322	100	24	the	the	DET
eurjchem-322	100	25	active	active	ADJ
eurjchem-322	100	26	metabolites	metabolite	NOUN
eurjchem-322	100	27	of	of	ADP
eurjchem-322	100	28	flurazepam	flurazepam	NOUN
eurjchem-322	100	29	)	)	PUNCT
eurjchem-322	100	30	.	.	PUNCT
eurjchem-322	101	1	the	the	DET
eurjchem-322	101	2	second	second	ADJ
eurjchem-322	101	3	group	group	NOUN
eurjchem-322	101	4	consists	consist	VERB
eurjchem-322	101	5	of	of	ADP
eurjchem-322	101	6	nitrazepam	nitrazepam	NOUN
eurjchem-322	101	7	2.a	2.a	NUM
eurjchem-322	101	8	,	,	PUNCT
eurjchem-322	101	9	clonazepam	clonazepam	PROPN
eurjchem-322	101	10	2.b	2.b	NUM
eurjchem-322	101	11	,	,	PUNCT
eurjchem-322	101	12	flunitrazepam	flunitrazepam	NOUN
eurjchem-322	101	13	2.c	2.c	NUM
eurjchem-322	101	14	and	and	CCONJ
eurjchem-322	101	15	its	its	PRON
eurjchem-322	101	16	active	active	ADJ
eurjchem-322	101	17	metabolite	metabolite	NOUN
eurjchem-322	101	18	desmethylflunitrazepam	desmethylflunitrazepam	NOUN
eurjchem-322	101	19	2.d	2.d	NUM
eurjchem-322	101	20	as	as	ADV
eurjchem-322	101	21	well	well	ADV
eurjchem-322	101	22	as	as	ADP
eurjchem-322	101	23	nitroflurazepam	nitroflurazepam	NOUN
eurjchem-322	101	24	2.e	2.e	NUM
eurjchem-322	101	25	and	and	CCONJ
eurjchem-322	101	26	desalkylnitraflurazepam	desalkylnitraflurazepam	VERB
eurjchem-322	101	27	2.f	2.f	NUM
eurjchem-322	101	28	(	(	PUNCT
eurjchem-322	101	29	the	the	DET
eurjchem-322	101	30	latter	latter	ADJ
eurjchem-322	101	31	two	two	NUM
eurjchem-322	101	32	compounds	compound	NOUN
eurjchem-322	101	33	are	be	AUX
eurjchem-322	101	34	not	not	PART
eurjchem-322	101	35	used	use	VERB
eurjchem-322	101	36	as	as	ADP
eurjchem-322	101	37	commercial	commercial	ADJ
eurjchem-322	101	38	bzs	bzs	NOUN
eurjchem-322	101	39	)	)	PUNCT
eurjchem-322	101	40	.	.	PUNCT
eurjchem-322	102	1	since	since	SCONJ
eurjchem-322	102	2	the	the	DET
eurjchem-322	102	3	common	common	ADJ
eurjchem-322	102	4	names	name	NOUN
eurjchem-322	102	5	for	for	ADP
eurjchem-322	102	6	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	102	7	do	do	AUX
eurjchem-322	102	8	not	not	PART
eurjchem-322	102	9	give	give	VERB
eurjchem-322	102	10	any	any	DET
eurjchem-322	102	11	information	information	NOUN
eurjchem-322	102	12	about	about	ADP
eurjchem-322	102	13	the	the	DET
eurjchem-322	102	14	nature	nature	NOUN
eurjchem-322	102	15	of	of	ADP
eurjchem-322	102	16	substitutions	substitution	NOUN
eurjchem-322	102	17	on	on	ADP
eurjchem-322	102	18	the	the	DET
eurjchem-322	102	19	benzodiazepine	benzodiazepine	NOUN
eurjchem-322	102	20	ring	ring	NOUN
eurjchem-322	102	21	,	,	PUNCT
eurjchem-322	102	22	the	the	DET
eurjchem-322	102	23	discussion	discussion	NOUN
eurjchem-322	102	24	of	of	ADP
eurjchem-322	102	25	the	the	DET
eurjchem-322	102	26	results	result	NOUN
eurjchem-322	102	27	will	will	AUX
eurjchem-322	102	28	be	be	AUX
eurjchem-322	102	29	made	make	VERB
eurjchem-322	102	30	based	base	VERB
eurjchem-322	102	31	on	on	ADP
eurjchem-322	102	32	the	the	DET
eurjchem-322	102	33	notation	notation	NOUN
eurjchem-322	102	34	shown	show	VERB
eurjchem-322	102	35	in	in	ADP
eurjchem-322	102	36	table	table	NOUN
eurjchem-322	102	37	1	1	NUM
eurjchem-322	102	38	.	.	PUNCT
eurjchem-322	103	1	the	the	DET
eurjchem-322	103	2	optimized	optimize	VERB
eurjchem-322	103	3	structures	structure	NOUN
eurjchem-322	103	4	belonging	belong	VERB
eurjchem-322	103	5	to	to	ADP
eurjchem-322	103	6	both	both	DET
eurjchem-322	103	7	groups	group	NOUN
eurjchem-322	103	8	,	,	PUNCT
eurjchem-322	103	9	obtained	obtain	VERB
eurjchem-322	103	10	for	for	ADP
eurjchem-322	103	11	minimization	minimization	NOUN
eurjchem-322	103	12	of	of	ADP
eurjchem-322	103	13	the	the	DET
eurjchem-322	103	14	total	total	ADJ
eurjchem-322	103	15	electronic	electronic	ADJ
eurjchem-322	103	16	energies	energy	NOUN
eurjchem-322	103	17	,	,	PUNCT
eurjchem-322	103	18	and	and	CCONJ
eurjchem-322	103	19	their	their	PRON
eurjchem-322	103	20	atom	atom	NOUN
eurjchem-322	103	21	coordinates	coordinate	NOUN
eurjchem-322	103	22	are	be	AUX
eurjchem-322	103	23	supplied	supply	VERB
eurjchem-322	103	24	as	as	ADP
eurjchem-322	103	25	supplementary	supplementary	ADJ
eurjchem-322	103	26	information	information	NOUN
eurjchem-322	103	27	.	.	PUNCT
eurjchem-322	104	1	the	the	DET
eurjchem-322	104	2	optimized	optimize	VERB
eurjchem-322	104	3	geometry	geometry	NOUN
eurjchem-322	104	4	for	for	ADP
eurjchem-322	104	5	7	7	NUM
eurjchem-322	104	6	–	–	PUNCT
eurjchem-322	104	7	cl–1	cl–1	NOUN
eurjchem-322	104	8	–	–	PUNCT
eurjchem-322	104	9	me–2’h	me–2’h	NUM
eurjchem-322	104	10	–	–	PUNCT
eurjchem-322	104	11	bz	bz	PROPN
eurjchem-322	104	12	(	(	PUNCT
eurjchem-322	104	13	1.a	1.a	NUM
eurjchem-322	104	14	)	)	PUNCT
eurjchem-322	104	15	,	,	PUNCT
eurjchem-322	104	16	for	for	ADP
eurjchem-322	104	17	7	7	NUM
eurjchem-322	104	18	–	–	PUNCT
eurjchem-322	104	19	cl–1	cl–1	NOUN
eurjchem-322	104	20	–	–	PUNCT
eurjchem-322	104	21	n(et)3–2’f	n(et)3–2’f	NOUN
eurjchem-322	104	22	–	–	PUNCT
eurjchem-322	104	23	bz	bz	PROPN
eurjchem-322	104	24	(	(	PUNCT
eurjchem-322	104	25	1.b	1.b	NUM
eurjchem-322	104	26	)	)	PUNCT
eurjchem-322	104	27	,	,	PUNCT
eurjchem-322	104	28	and	and	CCONJ
eurjchem-322	104	29	for	for	ADP
eurjchem-322	104	30	7	7	NUM
eurjchem-322	104	31	–	–	PUNCT
eurjchem-322	104	32	cl–1–2’f	cl–1–2’f	PROPN
eurjchem-322	104	33	–	–	PUNCT
eurjchem-322	104	34	bz	bz	PROPN
eurjchem-322	104	35	(	(	PUNCT
eurjchem-322	104	36	1.c	1.c	NUM
eurjchem-322	104	37	)	)	PUNCT
eurjchem-322	104	38	are	be	AUX
eurjchem-322	104	39	given	give	VERB
eurjchem-322	104	40	as	as	ADP
eurjchem-322	104	41	examples	example	NOUN
eurjchem-322	104	42	in	in	ADP
eurjchem-322	104	43	figure	figure	NOUN
eurjchem-322	104	44	3	3	NUM
eurjchem-322	104	45	.	.	PUNCT
eurjchem-322	105	1	the	the	DET
eurjchem-322	105	2	geometries	geometry	NOUN
eurjchem-322	105	3	do	do	AUX
eurjchem-322	105	4	not	not	PART
eurjchem-322	105	5	differ	differ	VERB
eurjchem-322	105	6	significantly	significantly	ADV
eurjchem-322	105	7	,	,	PUNCT
eurjchem-322	105	8	except	except	SCONJ
eurjchem-322	105	9	for	for	ADP
eurjchem-322	105	10	the	the	DET
eurjchem-322	105	11	conformation	conformation	NOUN
eurjchem-322	105	12	of	of	ADP
eurjchem-322	105	13	the	the	DET
eurjchem-322	105	14	aromatic	aromatic	ADJ
eurjchem-322	105	15	ring	ring	NOUN
eurjchem-322	105	16	at	at	ADP
eurjchem-322	105	17	c5	c5	PROPN
eurjchem-322	105	18	.	.	PUNCT
eurjchem-322	106	1	the	the	DET
eurjchem-322	106	2	values	value	NOUN
eurjchem-322	106	3	obtained	obtain	VERB
eurjchem-322	106	4	for	for	ADP
eurjchem-322	106	5	the	the	DET
eurjchem-322	106	6	lengths	length	NOUN
eurjchem-322	106	7	of	of	ADP
eurjchem-322	106	8	bonds	bond	NOUN
eurjchem-322	106	9	of	of	ADP
eurjchem-322	106	10	the	the	DET
eurjchem-322	106	11	same	same	ADJ
eurjchem-322	106	12	nature	nature	NOUN
eurjchem-322	106	13	do	do	AUX
eurjchem-322	106	14	not	not	PART
eurjchem-322	106	15	differ	differ	VERB
eurjchem-322	106	16	significantly	significantly	ADV
eurjchem-322	106	17	within	within	ADP
eurjchem-322	106	18	the	the	DET
eurjchem-322	106	19	structures	structure	NOUN
eurjchem-322	106	20	studied	study	VERB
eurjchem-322	106	21	.	.	PUNCT
eurjchem-322	107	1	in	in	ADP
eurjchem-322	107	2	the	the	DET
eurjchem-322	107	3	aromatic	aromatic	ADJ
eurjchem-322	107	4	ring	ring	NOUN
eurjchem-322	107	5	,	,	PUNCT
eurjchem-322	107	6	the	the	DET
eurjchem-322	107	7	bz	bz	PROPN
eurjchem-322	107	8	car	car	NOUN
eurjchem-322	107	9	bond	bond	NOUN
eurjchem-322	107	10	lengths	length	NOUN
eurjchem-322	107	11	are	be	AUX
eurjchem-322	107	12	typical	typical	ADJ
eurjchem-322	107	13	of	of	ADP
eurjchem-322	107	14	those	those	PRON
eurjchem-322	107	15	found	find	VERB
eurjchem-322	107	16	in	in	ADP
eurjchem-322	107	17	aromatic	aromatic	ADJ
eurjchem-322	107	18	rings	ring	NOUN
eurjchem-322	107	19	.	.	PUNCT
eurjchem-322	108	1	the	the	DET
eurjchem-322	108	2	imine	imine	NOUN
eurjchem-322	108	3	and	and	CCONJ
eurjchem-322	108	4	secondary	secondary	ADJ
eurjchem-322	108	5	amide	amide	NOUN
eurjchem-322	108	6	bond	bond	NOUN
eurjchem-322	108	7	distances	distance	NOUN
eurjchem-322	108	8	of	of	ADP
eurjchem-322	108	9	the	the	DET
eurjchem-322	108	10	diazepine	diazepine	NOUN
eurjchem-322	108	11	ring	ring	NOUN
eurjchem-322	108	12	are	be	AUX
eurjchem-322	108	13	also	also	ADV
eurjchem-322	108	14	within	within	ADP
eurjchem-322	108	15	the	the	DET
eurjchem-322	108	16	normal	normal	ADJ
eurjchem-322	108	17	range	range	NOUN
eurjchem-322	108	18	.	.	PUNCT
eurjchem-322	109	1	bond	bond	NOUN
eurjchem-322	109	2	distances	distance	NOUN
eurjchem-322	109	3	and	and	CCONJ
eurjchem-322	109	4	angular	angular	ADJ
eurjchem-322	109	5	values	value	NOUN
eurjchem-322	109	6	are	be	AUX
eurjchem-322	109	7	also	also	ADV
eurjchem-322	109	8	comparable	comparable	ADJ
eurjchem-322	109	9	to	to	ADP
eurjchem-322	109	10	those	those	PRON
eurjchem-322	109	11	obtained	obtain	VERB
eurjchem-322	109	12	experimentally	experimentally	ADV
eurjchem-322	109	13	by	by	ADP
eurjchem-322	109	14	x‐ray	x‐ray	ADJ
eurjchem-322	109	15	structural	structural	ADJ
eurjchem-322	109	16	analysis	analysis	NOUN
eurjchem-322	109	17	,	,	PUNCT
eurjchem-322	109	18	although	although	SCONJ
eurjchem-322	109	19	being	be	AUX
eurjchem-322	109	20	slightly	slightly	ADV
eurjchem-322	109	21	and	and	CCONJ
eurjchem-322	109	22	systematically	systematically	ADV
eurjchem-322	109	23	increased	increase	VERB
eurjchem-322	109	24	.	.	PUNCT
eurjchem-322	110	1	this	this	DET
eurjchem-322	110	2	feature	feature	NOUN
eurjchem-322	110	3	that	that	PRON
eurjchem-322	110	4	can	can	AUX
eurjchem-322	110	5	be	be	AUX
eurjchem-322	110	6	attributed	attribute	VERB
eurjchem-322	110	7	to	to	ADP
eurjchem-322	110	8	the	the	DET
eurjchem-322	110	9	fact	fact	NOUN
eurjchem-322	110	10	that	that	SCONJ
eurjchem-322	110	11	4	4	NUM
eurjchem-322	110	12	gomes	gome	NOUN
eurjchem-322	110	13	et	et	PROPN
eurjchem-322	110	14	al	al	PROPN
eurjchem-322	110	15	.	.	PUNCT
eurjchem-322	110	16	/	/	SYM
eurjchem-322	110	17	european	european	PROPN
eurjchem-322	110	18	journal	journal	PROPN
eurjchem-322	110	19	of	of	ADP
eurjchem-322	110	20	chemistry	chemistry	NOUN
eurjchem-322	110	21	2	2	NUM
eurjchem-322	110	22	(	(	PUNCT
eurjchem-322	110	23	1	1	NUM
eurjchem-322	110	24	)	)	PUNCT
eurjchem-322	110	25	(	(	PUNCT
eurjchem-322	110	26	2011	2011	NUM
eurjchem-322	110	27	)	)	PUNCT
eurjchem-322	110	28	1‐7	1‐7	NOUN
eurjchem-322	110	29	table	table	NOUN
eurjchem-322	110	30	2	2	NUM
eurjchem-322	110	31	.	.	PUNCT
eurjchem-322	110	32	values	value	NOUN
eurjchem-322	110	33	obtained	obtain	VERB
eurjchem-322	110	34	for	for	ADP
eurjchem-322	110	35	a	a	DET
eurjchem-322	110	36	,	,	PUNCT
eurjchem-322	110	37	b	b	NOUN
eurjchem-322	110	38	and	and	CCONJ
eurjchem-322	110	39	t	t	PROPN
eurjchem-322	110	40	angles	angle	NOUN
eurjchem-322	110	41	(	(	PUNCT
eurjchem-322	110	42	refer	refer	VERB
eurjchem-322	110	43	to	to	PART
eurjchem-322	110	44	figure	figure	VERB
eurjchem-322	110	45	3	3	NUM
eurjchem-322	110	46	)	)	PUNCT
eurjchem-322	110	47	,	,	PUNCT
eurjchem-322	110	48	obtained	obtain	VERB
eurjchem-322	110	49	at	at	ADP
eurjchem-322	110	50	b3lyp/6–311g++	b3lyp/6–311g++	PROPN
eurjchem-322	110	51	(	(	PUNCT
eurjchem-322	110	52	d	d	PROPN
eurjchem-322	110	53	,	,	PUNCT
eurjchem-322	110	54	p	p	NOUN
eurjchem-322	110	55	)	)	PUNCT
eurjchem-322	110	56	level	level	NOUN
eurjchem-322	110	57	of	of	ADP
eurjchem-322	110	58	theory	theory	NOUN
eurjchem-322	110	59	as	as	ADV
eurjchem-322	110	60	well	well	ADV
eurjchem-322	110	61	as	as	ADP
eurjchem-322	110	62	their	their	PRON
eurjchem-322	110	63	dipole	dipole	NOUN
eurjchem-322	110	64	moments	moment	NOUN
eurjchem-322	110	65	(	(	PUNCT
eurjchem-322	110	66	debye	debye	ADJ
eurjchem-322	110	67	)	)	PUNCT
eurjchem-322	110	68	in	in	ADP
eurjchem-322	110	69	gas	gas	NOUN
eurjchem-322	110	70	phase	phase	NOUN
eurjchem-322	110	71	.	.	PUNCT
eurjchem-322	111	1	compound	compound	VERB
eurjchem-322	111	2	a	a	DET
eurjchem-322	111	3	(	(	PUNCT
eurjchem-322	111	4	°	°	NOUN
eurjchem-322	111	5	)	)	PUNCT
eurjchem-322	111	6	b	b	PROPN
eurjchem-322	111	7	(	(	PUNCT
eurjchem-322	111	8	°	°	NOUN
eurjchem-322	111	9	)	)	PUNCT
eurjchem-322	111	10	t	t	NOUN
eurjchem-322	111	11	(	(	PUNCT
eurjchem-322	111	12	°	°	PROPN
eurjchem-322	111	13	)	)	PUNCT
eurjchem-322	111	14	d(d	d(d	PROPN
eurjchem-322	111	15	)	)	PUNCT
eurjchem-322	111	16	g1	g1	NOUN
eurjchem-322	111	17	diazepam	diazepam	VERB
eurjchem-322	111	18	1.a	1.a	NUM
eurjchem-322	111	19	7‐cl‐1‐me‐2’h‐bz	7‐cl‐1‐me‐2’h‐bz	NUM
eurjchem-322	111	20	123.4(7	123.4(7	NUM
eurjchem-322	111	21	)	)	PUNCT
eurjchem-322	111	22	118.7(7	118.7(7	NUM
eurjchem-322	111	23	)	)	PUNCT
eurjchem-322	111	24	31(1	31(1	NUM
eurjchem-322	111	25	)	)	PUNCT
eurjchem-322	111	26	2.30	2.30	NUM
eurjchem-322	111	27	flurazepam	flurazepam	VERB
eurjchem-322	111	28	1.b	1.b	NUM
eurjchem-322	111	29	7‐cl‐1‐n(et)3‐2’f‐bz	7‐cl‐1‐n(et)3‐2’f‐bz	NUM
eurjchem-322	111	30	124.3(7	124.3(7	NUM
eurjchem-322	111	31	)	)	PUNCT
eurjchem-322	111	32	118.5(7	118.5(7	NUM
eurjchem-322	111	33	)	)	PUNCT
eurjchem-322	111	34	49(1	49(1	NOUN
eurjchem-322	111	35	)	)	PUNCT
eurjchem-322	111	36	4.14	4.14	NUM
eurjchem-322	112	1	desalkylflurazepam	desalkylflurazepam	VERB
eurjchem-322	112	2	1.c	1.c	NUM
eurjchem-322	112	3	7‐cl‐2’f‐bz	7‐cl‐2’f‐bz	NOUN
eurjchem-322	112	4	136.8(7	136.8(7	NUM
eurjchem-322	112	5	)	)	PUNCT
eurjchem-322	112	6	119.6(7	119.6(7	NUM
eurjchem-322	112	7	)	)	PUNCT
eurjchem-322	112	8	50(1	50(1	PROPN
eurjchem-322	112	9	)	)	PUNCT
eurjchem-322	112	10	4.21	4.21	NUM
eurjchem-322	112	11	hydroxyethylflurazepam	hydroxyethylflurazepam	NOUN
eurjchem-322	112	12	1.d	1.d	NUM
eurjchem-322	112	13	7‐cl‐1‐oh‐2’f‐bz	7‐cl‐1‐oh‐2’f‐bz	NUM
eurjchem-322	112	14	124.1(7	124.1(7	NUM
eurjchem-322	112	15	)	)	PUNCT
eurjchem-322	112	16	118.5(7	118.5(7	NUM
eurjchem-322	112	17	)	)	PUNCT
eurjchem-322	112	18	46(1	46(1	NOUN
eurjchem-322	112	19	)	)	PUNCT
eurjchem-322	112	20	3.74	3.74	NUM
eurjchem-322	112	21	g2	g2	NOUN
eurjchem-322	112	22	nitrozepam	nitrozepam	VERB
eurjchem-322	112	23	2.a	2.a	NUM
eurjchem-322	112	24	7‐no2‐2’h‐bz	7‐no2‐2’h‐bz	NUM
eurjchem-322	112	25	124.5(7	124.5(7	NUM
eurjchem-322	112	26	)	)	PUNCT
eurjchem-322	112	27	119.7(7	119.7(7	NUM
eurjchem-322	112	28	)	)	PUNCT
eurjchem-322	112	29	33(1	33(1	NUM
eurjchem-322	112	30	)	)	PUNCT
eurjchem-322	112	31	1.35	1.35	NUM
eurjchem-322	112	32	clonazepam	clonazepam	NOUN
eurjchem-322	112	33	2.b	2.b	NUM
eurjchem-322	112	34	7‐no2‐2’cl‐bz	7‐no2‐2’cl‐bz	NUM
eurjchem-322	112	35	126.1(7	126.1(7	NUM
eurjchem-322	112	36	)	)	PUNCT
eurjchem-322	112	37	119.7(7	119.7(7	NOUN
eurjchem-322	112	38	)	)	PUNCT
eurjchem-322	112	39	62(1	62(1	NOUN
eurjchem-322	112	40	)	)	PUNCT
eurjchem-322	112	41	2.47	2.47	NUM
eurjchem-322	112	42	flunitrazepam	flunitrazepam	NOUN
eurjchem-322	112	43	2.c	2.c	NUM
eurjchem-322	112	44	7‐no2‐1me‐2’f‐bz	7‐no2‐1me‐2’f‐bz	NUM
eurjchem-322	112	45	124.4(7	124.4(7	NUM
eurjchem-322	112	46	)	)	PUNCT
eurjchem-322	112	47	118.5(7	118.5(7	NUM
eurjchem-322	112	48	)	)	PUNCT
eurjchem-322	112	49	48(1	48(1	NOUN
eurjchem-322	112	50	)	)	PUNCT
eurjchem-322	112	51	3.20	3.20	NUM
eurjchem-322	112	52	desmethylflunitrazepam	desmethylflunitrazepam	NOUN
eurjchem-322	112	53	2.d	2.d	NUM
eurjchem-322	112	54	7‐no2‐2’f‐bz	7‐no2‐2’f‐bz	NUM
eurjchem-322	112	55	126.7(7	126.7(7	NUM
eurjchem-322	112	56	)	)	PUNCT
eurjchem-322	112	57	119.6(7	119.6(7	NUM
eurjchem-322	112	58	)	)	PUNCT
eurjchem-322	112	59	50(1	50(1	PROPN
eurjchem-322	112	60	)	)	PUNCT
eurjchem-322	112	61	2.35	2.35	NUM
eurjchem-322	112	62	nitroflurazepam	nitroflurazepam	NOUN
eurjchem-322	112	63	2.e	2.e	NUM
eurjchem-322	112	64	7‐no2‐1‐n(et)3‐2’f‐bz	7‐no2‐1‐n(et)3‐2’f‐bz	NUM
eurjchem-322	112	65	124.2(7	124.2(7	NUM
eurjchem-322	112	66	)	)	PUNCT
eurjchem-322	112	67	118.2(7	118.2(7	NUM
eurjchem-322	112	68	)	)	PUNCT
eurjchem-322	112	69	47(1	47(1	NOUN
eurjchem-322	112	70	)	)	PUNCT
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eurjchem-322	112	73	2.f	2.f	NUM
eurjchem-322	112	74	7‐no2‐1‐et‐3oh‐2’f‐bz	7‐no2‐1‐et‐3oh‐2’f‐bz	NUM
eurjchem-322	112	75	125.7(7	125.7(7	NUM
eurjchem-322	112	76	)	)	PUNCT
eurjchem-322	112	77	119.5(7	119.5(7	NUM
eurjchem-322	112	78	)	)	PUNCT
eurjchem-322	112	79	50(1	50(1	NUM
eurjchem-322	112	80	)	)	PUNCT
eurjchem-322	112	81	2.74	2.74	NUM
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eurjchem-322	112	83	3	3	NUM
eurjchem-322	112	84	.	.	PUNCT
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eurjchem-322	112	87	(	(	PUNCT
eurjchem-322	112	88	e‐	e‐	ADJ
eurjchem-322	112	89	)	)	PUNCT
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eurjchem-322	112	92	npo	npo	PROPN
eurjchem-322	112	93	at	at	ADP
eurjchem-322	112	94	b3lyp/6–311++g(d	b3lyp/6–311++g(d	PROPN
eurjchem-322	112	95	,	,	PUNCT
eurjchem-322	112	96	p	p	NOUN
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eurjchem-322	112	100	the	the	DET
eurjchem-322	112	101	bzs	bzs	NOUN
eurjchem-322	112	102	gas	gas	NOUN
eurjchem-322	112	103	phase	phase	NOUN
eurjchem-322	112	104	.	.	PUNCT
eurjchem-322	113	1	compound	compound	PROPN
eurjchem-322	113	2	c7	c7	PROPN
eurjchem-322	113	3	c11	c11	PROPN
eurjchem-322	113	4	n1	n1	PROPN
eurjchem-322	113	5	c	c	PROPN
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eurjchem-322	113	8	n4	n4	PROPN
eurjchem-322	113	9	c5	c5	PROPN
eurjchem-322	113	10	c2	c2	PROPN
eurjchem-322	113	11	’	'	PUNCT
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eurjchem-322	113	13	7‐cl‐1‐me‐2’h‐bz	7‐cl‐1‐me‐2’h‐bz	NUM
eurjchem-322	113	14	1.a	1.a	NUM
eurjchem-322	113	15	‐0.066	‐0.066	PROPN
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eurjchem-322	113	17	‐0.491	‐0.491	NOUN
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eurjchem-322	113	23	1.b	1.b	NUM
eurjchem-322	113	24	‐0.063	‐0.063	PROPN
eurjchem-322	113	25	+0.180	+0.180	ADP
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eurjchem-322	114	1	7‐cl‐2’f‐bz	7‐cl‐2’f‐bz	NOUN
eurjchem-322	114	2	1.c	1.c	NUM
eurjchem-322	114	3	‐0.069	‐0.069	NOUN
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eurjchem-322	114	5	‐0.654	‐0.654	PROPN
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eurjchem-322	114	10	7‐cl‐1‐oh‐2’f‐bz	7‐cl‐1‐oh‐2’f‐bz	NUM
eurjchem-322	114	11	1.d	1.d	NUM
eurjchem-322	114	12	‐0.062	‐0.062	NOUN
eurjchem-322	114	13	+0.178	+0.178	ADJ
eurjchem-322	114	14	‐0.496	‐0.496	NOUN
eurjchem-322	114	15	‐0.604	‐0.604	VERB
eurjchem-322	114	16	‐0.399	‐0.399	NOUN
eurjchem-322	114	17	+0.263	+0.263	ADP
eurjchem-322	114	18	+0.446	+0.446	PROPN
eurjchem-322	114	19	g2	g2	PROPN
eurjchem-322	114	20	7‐no2‐2’h‐bz	7‐no2‐2’h‐bz	NUM
eurjchem-322	114	21	2.a	2.a	NUM
eurjchem-322	114	22	+0.045	+0.045	ADJ
eurjchem-322	114	23	+0.199	+0.199	NOUN
eurjchem-322	114	24	‐0.650	‐0.650	NOUN
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eurjchem-322	114	27	+0.272	+0.272	ADJ
eurjchem-322	114	28	‐0.194	‐0.194	NOUN
eurjchem-322	114	29	7‐no2‐2’cl‐bz	7‐no2‐2’cl‐bz	NUM
eurjchem-322	114	30	2.b	2.b	NUM
eurjchem-322	114	31	+0.046	+0.046	NOUN
eurjchem-322	114	32	+0.201	+0.201	PROPN
eurjchem-322	114	33	‐0.649	‐0.649	X
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eurjchem-322	114	37	‐0.026	‐0.026	PROPN
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eurjchem-322	114	39	2.c	2.c	NUM
eurjchem-322	115	1	+0.048	+0.048	NOUN
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eurjchem-322	115	3	‐0.486	‐0.486	PROPN
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eurjchem-322	115	5	‐0.398	‐0.398	X
eurjchem-322	115	6	+0.266	+0.266	PROPN
eurjchem-322	115	7	+0.447	+0.447	PROPN
eurjchem-322	115	8	7‐no2‐2’f‐bz	7‐no2‐2’f‐bz	NUM
eurjchem-322	115	9	2.d	2.d	NUM
eurjchem-322	115	10	+0.045	+0.045	ADJ
eurjchem-322	115	11	+0.200	+0.200	PRON
eurjchem-322	115	12	‐0.649	‐0.649	NOUN
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eurjchem-322	115	14	‐0.403	‐0.403	VERB
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eurjchem-322	115	16	+0.446	+0.446	PROPN
eurjchem-322	115	17	7‐no2‐1‐n(et)3‐2’f‐bz	7‐no2‐1‐n(et)3‐2’f‐bz	NUM
eurjchem-322	116	1	2.e	2.e	NUM
eurjchem-322	116	2	+0.044	+0.044	PROPN
eurjchem-322	116	3	+0.213	+0.213	PROPN
eurjchem-322	116	4	‐0.491	‐0.491	NOUN
eurjchem-322	116	5	‐0.590	‐0.590	X
eurjchem-322	116	6	‐0.396	‐0.396	NUM
eurjchem-322	116	7	+0.264	+0.264	NOUN
eurjchem-322	116	8	+0.448	+0.448	X
eurjchem-322	116	9	7‐no2‐1‐et‐3oh‐2’f‐bz	7‐no2‐1‐et‐3oh‐2’f‐bz	NUM
eurjchem-322	116	10	2.f	2.f	NUM
eurjchem-322	116	11	+0.043	+0.043	ADJ
eurjchem-322	116	12	+0.234	+0.234	ADJ
eurjchem-322	116	13	+0.481	+0.481	PROPN
eurjchem-322	116	14	‐0.589	‐0.589	CCONJ
eurjchem-322	117	1	‐0.444	‐0.444	ADV
eurjchem-322	117	2	+0.292	+0.292	X
eurjchem-322	117	3	+0.446	+0.446	ADJ
eurjchem-322	117	4	optimization	optimization	NOUN
eurjchem-322	117	5	in	in	ADP
eurjchem-322	117	6	gaseous	gaseous	ADJ
eurjchem-322	117	7	phase	phase	NOUN
eurjchem-322	117	8	does	do	AUX
eurjchem-322	117	9	not	not	PART
eurjchem-322	117	10	take	take	VERB
eurjchem-322	117	11	the	the	DET
eurjchem-322	117	12	effects	effect	NOUN
eurjchem-322	117	13	of	of	ADP
eurjchem-322	117	14	intermolecular	intermolecular	ADJ
eurjchem-322	117	15	interactions	interaction	NOUN
eurjchem-322	117	16	due	due	ADJ
eurjchem-322	117	17	the	the	DET
eurjchem-322	117	18	crystal	crystal	NOUN
eurjchem-322	117	19	packing	packing	NOUN
eurjchem-322	117	20	into	into	ADP
eurjchem-322	117	21	account	account	NOUN
eurjchem-322	117	22	.	.	PUNCT
eurjchem-322	118	1	3.2.1	3.2.1	X
eurjchem-322	118	2	.	.	PUNCT
eurjchem-322	118	3	conformation	conformation	NOUN
eurjchem-322	118	4	of	of	ADP
eurjchem-322	118	5	the	the	DET
eurjchem-322	118	6	dft	dft	PROPN
eurjchem-322	118	7	optimized	optimize	VERB
eurjchem-322	118	8	structures	structure	NOUN
eurjchem-322	118	9	the	the	DET
eurjchem-322	118	10	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	118	11	in	in	ADP
eurjchem-322	118	12	this	this	DET
eurjchem-322	118	13	study	study	NOUN
eurjchem-322	118	14	show	show	VERB
eurjchem-322	118	15	the	the	DET
eurjchem-322	118	16	typical	typical	ADJ
eurjchem-322	118	17	conformation	conformation	NOUN
eurjchem-322	118	18	for	for	ADP
eurjchem-322	118	19	the	the	DET
eurjchem-322	118	20	diazepine	diazepine	NOUN
eurjchem-322	118	21	ring	ring	NOUN
eurjchem-322	118	22	.	.	PUNCT
eurjchem-322	119	1	this	this	DET
eurjchem-322	119	2	conformation	conformation	NOUN
eurjchem-322	119	3	does	do	AUX
eurjchem-322	119	4	not	not	PART
eurjchem-322	119	5	change	change	VERB
eurjchem-322	119	6	significantly	significantly	ADV
eurjchem-322	119	7	with	with	ADP
eurjchem-322	119	8	the	the	DET
eurjchem-322	119	9	type	type	NOUN
eurjchem-322	119	10	of	of	ADP
eurjchem-322	119	11	substituents	substituent	NOUN
eurjchem-322	119	12	.	.	PUNCT
eurjchem-322	120	1	as	as	SCONJ
eurjchem-322	120	2	mentioned	mention	VERB
eurjchem-322	120	3	above	above	ADV
eurjchem-322	120	4	,	,	PUNCT
eurjchem-322	120	5	section	section	NOUN
eurjchem-322	120	6	3.1	3.1	NUM
eurjchem-322	120	7	,	,	PUNCT
eurjchem-322	120	8	the	the	DET
eurjchem-322	120	9	diazepine	diazepine	NOUN
eurjchem-322	120	10	ring	ring	NOUN
eurjchem-322	120	11	adopts	adopt	VERB
eurjchem-322	120	12	a	a	DET
eurjchem-322	120	13	boat	boat	NOUN
eurjchem-322	120	14	conformation	conformation	NOUN
eurjchem-322	120	15	with	with	ADP
eurjchem-322	120	16	a	a	DET
eurjchem-322	120	17	pseudo‐reflection	pseudo‐reflection	NOUN
eurjchem-322	120	18	plane	plane	NOUN
eurjchem-322	120	19	that	that	PRON
eurjchem-322	120	20	cuts	cut	VERB
eurjchem-322	120	21	medially	medially	ADV
eurjchem-322	120	22	the	the	DET
eurjchem-322	120	23	c7	c7	PROPN
eurjchem-322	120	24	–	–	PUNCT
eurjchem-322	120	25	c8	c8	PROPN
eurjchem-322	120	26	and	and	CCONJ
eurjchem-322	120	27	c11	c11	NOUN
eurjchem-322	120	28	–	–	PUNCT
eurjchem-322	120	29	c10	c10	VERB
eurjchem-322	120	30	bonds	bond	NOUN
eurjchem-322	120	31	of	of	ADP
eurjchem-322	120	32	the	the	DET
eurjchem-322	120	33	diazepine	diazepine	NOUN
eurjchem-322	120	34	and	and	CCONJ
eurjchem-322	120	35	passes	pass	VERB
eurjchem-322	120	36	through	through	ADP
eurjchem-322	120	37	the	the	DET
eurjchem-322	120	38	c3	c3	PROPN
eurjchem-322	120	39	atom	atom	NOUN
eurjchem-322	120	40	having	have	VERB
eurjchem-322	120	41	the	the	DET
eurjchem-322	120	42	sp3	sp3	ADJ
eurjchem-322	120	43	hybridization	hybridization	NOUN
eurjchem-322	120	44	(	(	PUNCT
eurjchem-322	120	45	figure	figure	NOUN
eurjchem-322	120	46	2	2	NUM
eurjchem-322	120	47	)	)	PUNCT
eurjchem-322	120	48	.	.	PUNCT
eurjchem-322	121	1	the	the	DET
eurjchem-322	121	2	valence	valence	NOUN
eurjchem-322	121	3	angles	angle	VERB
eurjchem-322	121	4	involving	involve	VERB
eurjchem-322	121	5	the	the	DET
eurjchem-322	121	6	n4	n4	PROPN
eurjchem-322	121	7	atom	atom	NOUN
eurjchem-322	121	8	are	be	AUX
eurjchem-322	121	9	close	close	ADJ
eurjchem-322	121	10	to	to	ADP
eurjchem-322	121	11	120o	120o	NUM
eurjchem-322	121	12	,	,	PUNCT
eurjchem-322	121	13	the	the	DET
eurjchem-322	121	14	overall	overall	ADJ
eurjchem-322	121	15	geometry	geometry	NOUN
eurjchem-322	121	16	of	of	ADP
eurjchem-322	121	17	its	its	PRON
eurjchem-322	121	18	neighborhood	neighborhood	NOUN
eurjchem-322	121	19	is	be	AUX
eurjchem-322	121	20	flat	flat	ADJ
eurjchem-322	121	21	and	and	CCONJ
eurjchem-322	121	22	the	the	DET
eurjchem-322	121	23	bond	bond	NOUN
eurjchem-322	121	24	length	length	NOUN
eurjchem-322	121	25	is	be	AUX
eurjchem-322	121	26	typical	typical	ADJ
eurjchem-322	121	27	of	of	ADP
eurjchem-322	121	28	a	a	DET
eurjchem-322	121	29	double	double	ADJ
eurjchem-322	121	30	c	c	NOUN
eurjchem-322	121	31	=	=	NOUN
eurjchem-322	121	32	n	n	PRON
eurjchem-322	121	33	bond	bond	NOUN
eurjchem-322	121	34	.	.	PUNCT
eurjchem-322	122	1	on	on	ADP
eurjchem-322	122	2	the	the	DET
eurjchem-322	122	3	opposite	opposite	ADJ
eurjchem-322	122	4	side	side	NOUN
eurjchem-322	122	5	of	of	ADP
eurjchem-322	122	6	the	the	DET
eurjchem-322	122	7	molecule	molecule	NOUN
eurjchem-322	122	8	,	,	PUNCT
eurjchem-322	122	9	the	the	DET
eurjchem-322	122	10	carbonyl	carbonyl	NOUN
eurjchem-322	122	11	carbon	carbon	NOUN
eurjchem-322	122	12	atom	atom	NOUN
eurjchem-322	122	13	of	of	ADP
eurjchem-322	122	14	the	the	DET
eurjchem-322	122	15	set	set	NOUN
eurjchem-322	122	16	n1–(c	n1–(c	PROPN
eurjchem-322	122	17	=	=	SYM
eurjchem-322	122	18	o	o	NOUN
eurjchem-322	122	19	)	)	PUNCT
eurjchem-322	122	20	similarly	similarly	ADV
eurjchem-322	122	21	has	have	VERB
eurjchem-322	122	22	a	a	DET
eurjchem-322	122	23	flat	flat	ADJ
eurjchem-322	122	24	triangular	triangular	NOUN
eurjchem-322	122	25	geometry	geometry	NOUN
eurjchem-322	122	26	.	.	PUNCT
eurjchem-322	123	1	the	the	DET
eurjchem-322	123	2	conformation	conformation	NOUN
eurjchem-322	123	3	can	can	AUX
eurjchem-322	123	4	be	be	AUX
eurjchem-322	123	5	characterized	characterize	VERB
eurjchem-322	123	6	by	by	ADP
eurjchem-322	123	7	three	three	NUM
eurjchem-322	123	8	angles	angle	NOUN
eurjchem-322	123	9	,	,	PUNCT
eurjchem-322	123	10	the	the	DET
eurjchem-322	123	11	angle	angle	NOUN
eurjchem-322	123	12	a	a	DET
eurjchem-322	123	13	formed	form	VERB
eurjchem-322	123	14	between	between	ADP
eurjchem-322	123	15	the	the	DET
eurjchem-322	123	16	c11	c11	NOUN
eurjchem-322	123	17	–	–	PUNCT
eurjchem-322	123	18	c5	c5	PROPN
eurjchem-322	123	19	–	–	PUNCT
eurjchem-322	123	20	n4	n4	PROPN
eurjchem-322	123	21	atoms	atom	NOUN
eurjchem-322	123	22	,	,	PUNCT
eurjchem-322	123	23	the	the	DET
eurjchem-322	123	24	angle	angle	NOUN
eurjchem-322	123	25	b	b	PROPN
eurjchem-322	123	26	between	between	ADP
eurjchem-322	123	27	the	the	DET
eurjchem-322	123	28	c5	c5	PROPN
eurjchem-322	123	29	–	–	PUNCT
eurjchem-322	123	30	n4	n4	PROPN
eurjchem-322	123	31	–	–	PUNCT
eurjchem-322	123	32	c3	c3	NOUN
eurjchem-322	123	33	atoms	atom	NOUN
eurjchem-322	123	34	,	,	PUNCT
eurjchem-322	123	35	and	and	CCONJ
eurjchem-322	123	36	the	the	DET
eurjchem-322	123	37	torsion	torsion	NOUN
eurjchem-322	123	38	angle	angle	NOUN
eurjchem-322	123	39	t	t	PROPN
eurjchem-322	123	40	defined	define	VERB
eurjchem-322	123	41	as	as	ADP
eurjchem-322	123	42	the	the	DET
eurjchem-322	123	43	angle	angle	NOUN
eurjchem-322	123	44	n4‐c5‐c1’‐c2	n4‐c5‐c1’‐c2	PROPN
eurjchem-322	123	45	’	'	PUNCT
eurjchem-322	123	46	.	.	PUNCT
eurjchem-322	124	1	the	the	DET
eurjchem-322	124	2	general	general	ADJ
eurjchem-322	124	3	conformation	conformation	NOUN
eurjchem-322	124	4	adopted	adopt	VERB
eurjchem-322	124	5	is	be	AUX
eurjchem-322	124	6	represented	represent	VERB
eurjchem-322	124	7	in	in	ADP
eurjchem-322	124	8	figure	figure	NOUN
eurjchem-322	124	9	2	2	NUM
eurjchem-322	124	10	where	where	SCONJ
eurjchem-322	124	11	7	7	NUM
eurjchem-322	124	12	–	–	PUNCT
eurjchem-322	124	13	no2–2'h	no2–2'h	PROPN
eurjchem-322	124	14	–	–	PUNCT
eurjchem-322	124	15	bz	bz	PROPN
eurjchem-322	124	16	,	,	PUNCT
eurjchem-322	124	17	2.a	2.a	NUM
eurjchem-322	124	18	,	,	PUNCT
eurjchem-322	124	19	was	be	AUX
eurjchem-322	124	20	chosen	choose	VERB
eurjchem-322	124	21	as	as	ADP
eurjchem-322	124	22	an	an	DET
eurjchem-322	124	23	example	example	NOUN
eurjchem-322	124	24	.	.	PUNCT
eurjchem-322	125	1	table	table	NOUN
eurjchem-322	125	2	2	2	NUM
eurjchem-322	125	3	summarizes	summarize	NOUN
eurjchem-322	125	4	the	the	DET
eurjchem-322	125	5	geometrical	geometrical	ADJ
eurjchem-322	125	6	parameters	parameter	NOUN
eurjchem-322	125	7	a	a	DET
eurjchem-322	125	8	,	,	PUNCT
eurjchem-322	125	9	b	b	NOUN
eurjchem-322	125	10	,	,	PUNCT
eurjchem-322	125	11	and	and	CCONJ
eurjchem-322	125	12	t	t	PROPN
eurjchem-322	125	13	for	for	ADP
eurjchem-322	125	14	each	each	DET
eurjchem-322	125	15	compound	compound	NOUN
eurjchem-322	125	16	.	.	PUNCT
eurjchem-322	126	1	the	the	DET
eurjchem-322	126	2	angle	angle	NOUN
eurjchem-322	126	3	b	b	NOUN
eurjchem-322	126	4	does	do	AUX
eurjchem-322	126	5	not	not	PART
eurjchem-322	126	6	vary	vary	VERB
eurjchem-322	126	7	with	with	ADP
eurjchem-322	126	8	the	the	DET
eurjchem-322	126	9	type	type	NOUN
eurjchem-322	126	10	of	of	ADP
eurjchem-322	126	11	compound	compound	NOUN
eurjchem-322	126	12	neither	neither	CCONJ
eurjchem-322	126	13	does	do	AUX
eurjchem-322	126	14	angle	angle	VERB
eurjchem-322	126	15	a	a	PRON
eurjchem-322	126	16	with	with	ADP
eurjchem-322	126	17	the	the	DET
eurjchem-322	126	18	exception	exception	NOUN
eurjchem-322	126	19	of	of	ADP
eurjchem-322	126	20	7	7	NUM
eurjchem-322	126	21	–	–	PUNCT
eurjchem-322	126	22	cl–2’f	cl–2’f	NOUN
eurjchem-322	126	23	–	–	PUNCT
eurjchem-322	126	24	bz	bz	X
eurjchem-322	126	25	,	,	PUNCT
eurjchem-322	126	26	1.c	1.c	NUM
eurjchem-322	126	27	,	,	PUNCT
eurjchem-322	126	28	whose	whose	DET
eurjchem-322	126	29	angle	angle	NOUN
eurjchem-322	126	30	a	a	PRON
eurjchem-322	126	31	of	of	ADP
eurjchem-322	126	32	136.6	136.6	NUM
eurjchem-322	126	33	(	(	PUNCT
eurjchem-322	126	34	8)	8)	NUM
eurjchem-322	126	35	°	°	NOUN
eurjchem-322	126	36	is	be	AUX
eurjchem-322	126	37	higher	high	ADJ
eurjchem-322	126	38	than	than	ADP
eurjchem-322	126	39	that	that	PRON
eurjchem-322	126	40	of	of	ADP
eurjchem-322	126	41	the	the	DET
eurjchem-322	126	42	remaining	remain	VERB
eurjchem-322	126	43	bzs	bzs	NOUN
eurjchem-322	126	44	.	.	PUNCT
eurjchem-322	127	1	on	on	ADP
eurjchem-322	127	2	the	the	DET
eurjchem-322	127	3	other	other	ADJ
eurjchem-322	127	4	hand	hand	NOUN
eurjchem-322	127	5	,	,	PUNCT
eurjchem-322	127	6	the	the	DET
eurjchem-322	127	7	angle	angle	NOUN
eurjchem-322	127	8	between	between	ADP
eurjchem-322	127	9	the	the	DET
eurjchem-322	127	10	c5	c5	PROPN
eurjchem-322	127	11	phenyl	phenyl	NOUN
eurjchem-322	127	12	ring	ring	NOUN
eurjchem-322	127	13	plane	plane	NOUN
eurjchem-322	127	14	and	and	CCONJ
eurjchem-322	127	15	the	the	DET
eurjchem-322	127	16	aromatic	aromatic	ADJ
eurjchem-322	127	17	benzodiazepine	benzodiazepine	NOUN
eurjchem-322	127	18	residue	residue	NOUN
eurjchem-322	127	19	plane	plane	NOUN
eurjchem-322	127	20	varies	vary	VERB
eurjchem-322	127	21	from	from	ADP
eurjchem-322	127	22	compound	compound	NOUN
eurjchem-322	127	23	to	to	ADP
eurjchem-322	127	24	compound	compound	NOUN
eurjchem-322	127	25	.	.	PUNCT
eurjchem-322	128	1	this	this	DET
eurjchem-322	128	2	variation	variation	NOUN
eurjchem-322	128	3	is	be	AUX
eurjchem-322	128	4	quantified	quantify	VERB
eurjchem-322	128	5	by	by	ADP
eurjchem-322	128	6	the	the	DET
eurjchem-322	128	7	torsion	torsion	NOUN
eurjchem-322	128	8	angle	angle	NOUN
eurjchem-322	128	9	t	t	PROPN
eurjchem-322	128	10	,	,	PUNCT
eurjchem-322	128	11	around	around	ADP
eurjchem-322	128	12	c5	c5	PROPN
eurjchem-322	128	13	–	–	PUNCT
eurjchem-322	128	14	ph	ph	ADJ
eurjchem-322	128	15	bond	bond	NOUN
eurjchem-322	128	16	(	(	PUNCT
eurjchem-322	128	17	figure	figure	NOUN
eurjchem-322	128	18	3	3	NUM
eurjchem-322	128	19	)	)	PUNCT
eurjchem-322	128	20	.	.	PUNCT
eurjchem-322	129	1	an	an	DET
eurjchem-322	129	2	analysis	analysis	NOUN
eurjchem-322	129	3	of	of	ADP
eurjchem-322	129	4	this	this	DET
eurjchem-322	129	5	value	value	NOUN
eurjchem-322	129	6	suggests	suggest	VERB
eurjchem-322	129	7	that	that	SCONJ
eurjchem-322	129	8	it	it	PRON
eurjchem-322	129	9	is	be	AUX
eurjchem-322	129	10	dependent	dependent	ADJ
eurjchem-322	129	11	on	on	ADP
eurjchem-322	129	12	the	the	DET
eurjchem-322	129	13	nature	nature	NOUN
eurjchem-322	129	14	of	of	ADP
eurjchem-322	129	15	the	the	DET
eurjchem-322	129	16	substituent	substituent	NOUN
eurjchem-322	129	17	present	present	ADJ
eurjchem-322	129	18	on	on	ADP
eurjchem-322	129	19	the	the	DET
eurjchem-322	129	20	atom	atom	NOUN
eurjchem-322	129	21	c2	c2	PROPN
eurjchem-322	129	22	'	'	PART
eurjchem-322	129	23	of	of	ADP
eurjchem-322	129	24	the	the	DET
eurjchem-322	129	25	phenyl	phenyl	NOUN
eurjchem-322	129	26	ring	ring	NOUN
eurjchem-322	129	27	.	.	PUNCT
eurjchem-322	130	1	when	when	SCONJ
eurjchem-322	130	2	the	the	DET
eurjchem-322	130	3	substituent	substituent	NOUN
eurjchem-322	130	4	is	be	AUX
eurjchem-322	130	5	a	a	DET
eurjchem-322	130	6	hydrogen	hydrogen	NOUN
eurjchem-322	130	7	atom	atom	NOUN
eurjchem-322	130	8	,	,	PUNCT
eurjchem-322	130	9	as	as	SCONJ
eurjchem-322	130	10	is	be	AUX
eurjchem-322	130	11	the	the	DET
eurjchem-322	130	12	case	case	NOUN
eurjchem-322	130	13	of	of	ADP
eurjchem-322	130	14	7	7	NUM
eurjchem-322	130	15	–	–	PUNCT
eurjchem-322	130	16	cl–1	cl–1	NOUN
eurjchem-322	130	17	–	–	PUNCT
eurjchem-322	130	18	me–2’h	me–2’h	NUM
eurjchem-322	130	19	–	–	PUNCT
eurjchem-322	130	20	bz	bz	PROPN
eurjchem-322	130	21	,	,	PUNCT
eurjchem-322	130	22	1.a	1.a	NUM
eurjchem-322	130	23	,	,	PUNCT
eurjchem-322	130	24	and	and	CCONJ
eurjchem-322	130	25	7	7	NUM
eurjchem-322	130	26	–	–	SYM
eurjchem-322	130	27	no2–2’h	no2–2’h	NUM
eurjchem-322	130	28	–	–	PUNCT
eurjchem-322	130	29	bz	bz	PROPN
eurjchem-322	130	30	,	,	PUNCT
eurjchem-322	130	31	2.a	2.a	NUM
eurjchem-322	130	32	,	,	PUNCT
eurjchem-322	130	33	the	the	DET
eurjchem-322	130	34	torsion	torsion	NOUN
eurjchem-322	130	35	angle	angle	NOUN
eurjchem-322	130	36	is	be	AUX
eurjchem-322	130	37	about	about	ADP
eurjchem-322	130	38	30o	30o	NOUN
eurjchem-322	130	39	.	.	PUNCT
eurjchem-322	131	1	when	when	SCONJ
eurjchem-322	131	2	the	the	DET
eurjchem-322	131	3	substituent	substituent	NOUN
eurjchem-322	131	4	is	be	AUX
eurjchem-322	131	5	a	a	DET
eurjchem-322	131	6	fluorine	fluorine	NOUN
eurjchem-322	131	7	atom	atom	NOUN
eurjchem-322	131	8	,	,	PUNCT
eurjchem-322	131	9	this	this	DET
eurjchem-322	131	10	angle	angle	NOUN
eurjchem-322	131	11	increases	increase	VERB
eurjchem-322	131	12	to	to	PART
eurjchem-322	131	13	lie	lie	VERB
eurjchem-322	131	14	in	in	ADP
eurjchem-322	131	15	the	the	DET
eurjchem-322	131	16	46–50	46–50	NOUN
eurjchem-322	131	17	°	°	NUM
eurjchem-322	131	18	range	range	NOUN
eurjchem-322	131	19	.	.	PUNCT
eurjchem-322	132	1	bz	bz	PROPN
eurjchem-322	132	2	7	7	NUM
eurjchem-322	132	3	–	–	PUNCT
eurjchem-322	132	4	no2–2’cl	no2–2’cl	NOUN
eurjchem-322	132	5	–	–	PUNCT
eurjchem-322	132	6	bz	bz	PROPN
eurjchem-322	132	7	,	,	PUNCT
eurjchem-322	132	8	2.b	2.b	NUM
eurjchem-322	132	9	,	,	PUNCT
eurjchem-322	132	10	presents	present	VERB
eurjchem-322	132	11	the	the	DET
eurjchem-322	132	12	highest	high	ADJ
eurjchem-322	132	13	value	value	NOUN
eurjchem-322	132	14	(	(	PUNCT
eurjchem-322	132	15	60o	60o	NOUN
eurjchem-322	132	16	)	)	PUNCT
eurjchem-322	132	17	of	of	ADP
eurjchem-322	132	18	twist	twist	ADJ
eurjchem-322	132	19	angle	angle	NOUN
eurjchem-322	132	20	around	around	ADP
eurjchem-322	132	21	the	the	DET
eurjchem-322	132	22	c5	c5	PROPN
eurjchem-322	132	23	–	–	PUNCT
eurjchem-322	132	24	ph	ph	ADJ
eurjchem-322	132	25	bond	bond	NOUN
eurjchem-322	132	26	.	.	PUNCT
eurjchem-322	133	1	these	these	DET
eurjchem-322	133	2	variations	variation	NOUN
eurjchem-322	133	3	,	,	PUNCT
eurjchem-322	133	4	which	which	PRON
eurjchem-322	133	5	probably	probably	ADV
eurjchem-322	133	6	reflect	reflect	VERB
eurjchem-322	133	7	the	the	DET
eurjchem-322	133	8	electrostatic	electrostatic	ADJ
eurjchem-322	133	9	repulsions	repulsion	NOUN
eurjchem-322	133	10	that	that	PRON
eurjchem-322	133	11	exist	exist	VERB
eurjchem-322	133	12	between	between	ADP
eurjchem-322	133	13	the	the	DET
eurjchem-322	133	14	electronic	electronic	ADJ
eurjchem-322	133	15	clouds	cloud	NOUN
eurjchem-322	133	16	of	of	ADP
eurjchem-322	133	17	halogens	halogen	NOUN
eurjchem-322	133	18	and	and	CCONJ
eurjchem-322	133	19	the	the	DET
eurjchem-322	133	20	unoccupied	unoccupied	ADJ
eurjchem-322	133	21	orbital	orbital	NOUN
eurjchem-322	133	22	of	of	ADP
eurjchem-322	133	23	the	the	DET
eurjchem-322	133	24	imine	imine	ADJ
eurjchem-322	133	25	nitrogen	nitrogen	NOUN
eurjchem-322	133	26	atom	atom	NOUN
eurjchem-322	133	27	,	,	PUNCT
eurjchem-322	133	28	are	be	AUX
eurjchem-322	133	29	also	also	ADV
eurjchem-322	133	30	observed	observe	VERB
eurjchem-322	133	31	in	in	ADP
eurjchem-322	133	32	the	the	DET
eurjchem-322	133	33	set	set	NOUN
eurjchem-322	133	34	of	of	ADP
eurjchem-322	133	35	crystalline	crystalline	NOUN
eurjchem-322	133	36	structures	structure	NOUN
eurjchem-322	133	37	that	that	PRON
eurjchem-322	133	38	were	be	AUX
eurjchem-322	133	39	analyzed	analyze	VERB
eurjchem-322	133	40	.	.	PUNCT
eurjchem-322	134	1	it	it	PRON
eurjchem-322	134	2	is	be	AUX
eurjchem-322	134	3	worth	worth	ADJ
eurjchem-322	134	4	noting	note	VERB
eurjchem-322	134	5	that	that	SCONJ
eurjchem-322	134	6	the	the	DET
eurjchem-322	134	7	modification	modification	NOUN
eurjchem-322	134	8	of	of	ADP
eurjchem-322	134	9	the	the	DET
eurjchem-322	134	10	conformation	conformation	NOUN
eurjchem-322	134	11	of	of	ADP
eurjchem-322	134	12	the	the	DET
eurjchem-322	134	13	molecule	molecule	NOUN
eurjchem-322	134	14	may	may	AUX
eurjchem-322	134	15	affect	affect	VERB
eurjchem-322	134	16	the	the	DET
eurjchem-322	134	17	extent	extent	NOUN
eurjchem-322	134	18	of	of	ADP
eurjchem-322	134	19	its	its	PRON
eurjchem-322	134	20	linking	linking	NOUN
eurjchem-322	134	21	to	to	ADP
eurjchem-322	134	22	a	a	DET
eurjchem-322	134	23	pharmacologically	pharmacologically	ADV
eurjchem-322	134	24	active	active	ADJ
eurjchem-322	134	25	site	site	NOUN
eurjchem-322	134	26	,	,	PUNCT
eurjchem-322	134	27	therefore	therefore	ADV
eurjchem-322	134	28	affecting	affect	VERB
eurjchem-322	134	29	the	the	DET
eurjchem-322	134	30	pharmacological	pharmacological	ADJ
eurjchem-322	134	31	activity	activity	NOUN
eurjchem-322	134	32	of	of	ADP
eurjchem-322	134	33	the	the	DET
eurjchem-322	134	34	drug	drug	NOUN
eurjchem-322	134	35	.	.	PUNCT
eurjchem-322	135	1	3.3	3.3	NUM
eurjchem-322	135	2	.	.	PUNCT
eurjchem-322	136	1	polarity	polarity	NOUN
eurjchem-322	136	2	and	and	CCONJ
eurjchem-322	136	3	charge	charge	NOUN
eurjchem-322	136	4	distributions	distribution	NOUN
eurjchem-322	136	5	the	the	DET
eurjchem-322	136	6	dipole	dipole	NOUN
eurjchem-322	136	7	moments	moment	NOUN
eurjchem-322	136	8	obtained	obtain	VERB
eurjchem-322	136	9	for	for	ADP
eurjchem-322	136	10	the	the	DET
eurjchem-322	136	11	studied	study	VERB
eurjchem-322	136	12	compounds	compound	NOUN
eurjchem-322	136	13	are	be	AUX
eurjchem-322	136	14	given	give	VERB
eurjchem-322	136	15	in	in	ADP
eurjchem-322	136	16	table	table	NOUN
eurjchem-322	136	17	2	2	NUM
eurjchem-322	136	18	.	.	PUNCT
eurjchem-322	137	1	it	it	PRON
eurjchem-322	137	2	appears	appear	VERB
eurjchem-322	137	3	that	that	SCONJ
eurjchem-322	137	4	the	the	DET
eurjchem-322	137	5	compounds	compound	NOUN
eurjchem-322	137	6	containing	contain	VERB
eurjchem-322	137	7	a	a	DET
eurjchem-322	137	8	chlorine	chlorine	NOUN
eurjchem-322	137	9	atom	atom	NOUN
eurjchem-322	137	10	in	in	ADP
eurjchem-322	137	11	position	position	NOUN
eurjchem-322	137	12	c7	c7	PROPN
eurjchem-322	137	13	have	have	VERB
eurjchem-322	137	14	a	a	DET
eurjchem-322	137	15	higher	high	ADJ
eurjchem-322	137	16	dipole	dipole	NOUN
eurjchem-322	137	17	moment	moment	NOUN
eurjchem-322	137	18	than	than	ADP
eurjchem-322	137	19	those	those	PRON
eurjchem-322	137	20	with	with	ADP
eurjchem-322	137	21	a	a	DET
eurjchem-322	137	22	nitro	nitro	NOUN
eurjchem-322	137	23	group	group	NOUN
eurjchem-322	137	24	in	in	ADP
eurjchem-322	137	25	the	the	DET
eurjchem-322	137	26	same	same	ADJ
eurjchem-322	137	27	position	position	NOUN
eurjchem-322	137	28	.	.	PUNCT
eurjchem-322	138	1	also	also	ADV
eurjchem-322	138	2	,	,	PUNCT
eurjchem-322	138	3	the	the	DET
eurjchem-322	138	4	existence	existence	NOUN
eurjchem-322	138	5	of	of	ADP
eurjchem-322	138	6	a	a	DET
eurjchem-322	138	7	fluorine	fluorine	NOUN
eurjchem-322	138	8	atom	atom	NOUN
eurjchem-322	138	9	at	at	ADP
eurjchem-322	138	10	position	position	NOUN
eurjchem-322	138	11	c2	c2	PROPN
eurjchem-322	138	12	’	'	PUNCT
eurjchem-322	138	13	and	and	CCONJ
eurjchem-322	138	14	the	the	DET
eurjchem-322	138	15	introduction	introduction	NOUN
eurjchem-322	138	16	of	of	ADP
eurjchem-322	138	17	a	a	DET
eurjchem-322	138	18	polar	polar	ADJ
eurjchem-322	138	19	substituent	substituent	NOUN
eurjchem-322	138	20	at	at	ADP
eurjchem-322	138	21	the	the	DET
eurjchem-322	138	22	nitrogen	nitrogen	NOUN
eurjchem-322	138	23	atom	atom	NOUN
eurjchem-322	138	24	n1	n1	PROPN
eurjchem-322	138	25	increase	increase	VERB
eurjchem-322	138	26	the	the	DET
eurjchem-322	138	27	polarity	polarity	NOUN
eurjchem-322	138	28	of	of	ADP
eurjchem-322	138	29	the	the	DET
eurjchem-322	138	30	bz	bz	PROPN
eurjchem-322	138	31	.	.	PUNCT
eurjchem-322	139	1	in	in	ADP
eurjchem-322	139	2	addition	addition	NOUN
eurjchem-322	139	3	to	to	ADP
eurjchem-322	139	4	the	the	DET
eurjchem-322	139	5	dipole	dipole	NOUN
eurjchem-322	139	6	moment	moment	NOUN
eurjchem-322	139	7	,	,	PUNCT
eurjchem-322	139	8	it	it	PRON
eurjchem-322	139	9	is	be	AUX
eurjchem-322	139	10	also	also	ADV
eurjchem-322	139	11	of	of	ADP
eurjchem-322	139	12	interest	interest	NOUN
eurjchem-322	139	13	to	to	PART
eurjchem-322	139	14	analyze	analyze	VERB
eurjchem-322	139	15	the	the	DET
eurjchem-322	139	16	relative	relative	ADJ
eurjchem-322	139	17	charge	charge	NOUN
eurjchem-322	139	18	distribution	distribution	NOUN
eurjchem-322	139	19	among	among	ADP
eurjchem-322	139	20	the	the	DET
eurjchem-322	139	21	atoms	atom	NOUN
eurjchem-322	139	22	of	of	ADP
eurjchem-322	139	23	the	the	DET
eurjchem-322	139	24	molecule	molecule	NOUN
eurjchem-322	139	25	.	.	PUNCT
eurjchem-322	140	1	these	these	DET
eurjchem-322	140	2	relative	relative	ADJ
eurjchem-322	140	3	distributions	distribution	NOUN
eurjchem-322	140	4	may	may	AUX
eurjchem-322	140	5	indicate	indicate	VERB
eurjchem-322	140	6	preferential	preferential	ADJ
eurjchem-322	140	7	binding	bind	VERB
eurjchem-322	140	8	sites	site	NOUN
eurjchem-322	140	9	on	on	ADP
eurjchem-322	140	10	the	the	DET
eurjchem-322	140	11	hydrophilic	hydrophilic	ADJ
eurjchem-322	140	12	or	or	CCONJ
eurjchem-322	140	13	lipophilic	lipophilic	ADJ
eurjchem-322	140	14	regions	region	NOUN
eurjchem-322	140	15	of	of	ADP
eurjchem-322	140	16	the	the	DET
eurjchem-322	140	17	receptor	receptor	NOUN
eurjchem-322	140	18	.	.	PUNCT
eurjchem-322	141	1	moreover	moreover	ADV
eurjchem-322	141	2	,	,	PUNCT
eurjchem-322	141	3	they	they	PRON
eurjchem-322	141	4	can	can	AUX
eurjchem-322	141	5	determine	determine	VERB
eurjchem-322	141	6	sites	site	NOUN
eurjchem-322	141	7	of	of	ADP
eurjchem-322	141	8	the	the	DET
eurjchem-322	141	9	receptor	receptor	NOUN
eurjchem-322	141	10	regions	region	NOUN
eurjchem-322	141	11	at	at	ADP
eurjchem-322	141	12	which	which	PRON
eurjchem-322	141	13	polarity	polarity	NOUN
eurjchem-322	141	14	could	could	AUX
eurjchem-322	141	15	be	be	AUX
eurjchem-322	141	16	more	more	ADV
eurjchem-322	141	17	easily	easily	ADV
eurjchem-322	141	18	induced	induce	VERB
eurjchem-322	141	19	.	.	PUNCT
eurjchem-322	142	1	the	the	DET
eurjchem-322	142	2	atomic	atomic	ADJ
eurjchem-322	142	3	charges	charge	NOUN
eurjchem-322	142	4	were	be	AUX
eurjchem-322	142	5	calculated	calculate	VERB
eurjchem-322	142	6	by	by	ADP
eurjchem-322	142	7	natural	natural	ADJ
eurjchem-322	142	8	population	population	NOUN
eurjchem-322	142	9	analysis	analysis	NOUN
eurjchem-322	142	10	(	(	PUNCT
eurjchem-322	142	11	npa	npa	NOUN
eurjchem-322	142	12	)	)	PUNCT
eurjchem-322	142	13	[	[	X
eurjchem-322	142	14	19	19	NUM
eurjchem-322	142	15	]	]	PUNCT
eurjchem-322	142	16	using	use	VERB
eurjchem-322	142	17	the	the	DET
eurjchem-322	142	18	same	same	ADJ
eurjchem-322	142	19	level	level	NOUN
eurjchem-322	142	20	of	of	ADP
eurjchem-322	142	21	theory	theory	NOUN
eurjchem-322	142	22	as	as	ADP
eurjchem-322	142	23	for	for	ADP
eurjchem-322	142	24	geometrical	geometrical	ADJ
eurjchem-322	142	25	optimizations	optimization	NOUN
eurjchem-322	142	26	.	.	PUNCT
eurjchem-322	143	1	the	the	DET
eurjchem-322	143	2	values	value	NOUN
eurjchem-322	143	3	obtained	obtain	VERB
eurjchem-322	143	4	for	for	ADP
eurjchem-322	143	5	selected	select	VERB
eurjchem-322	143	6	atoms	atom	NOUN
eurjchem-322	143	7	in	in	ADP
eurjchem-322	143	8	compounds	compound	NOUN
eurjchem-322	143	9	1.a‐e	1.a‐e	NUM
eurjchem-322	143	10	and	and	CCONJ
eurjchem-322	143	11	2.a‐f	2.a‐f	NUM
eurjchem-322	143	12	are	be	AUX
eurjchem-322	143	13	summarized	summarize	VERB
eurjchem-322	143	14	in	in	ADP
eurjchem-322	143	15	table	table	NOUN
eurjchem-322	143	16	3	3	NUM
eurjchem-322	143	17	.	.	PUNCT
eurjchem-322	144	1	since	since	SCONJ
eurjchem-322	144	2	such	such	ADJ
eurjchem-322	144	3	charge	charge	NOUN
eurjchem-322	144	4	distributions	distribution	NOUN
eurjchem-322	144	5	were	be	AUX
eurjchem-322	144	6	calculated	calculate	VERB
eurjchem-322	144	7	for	for	SCONJ
eurjchem-322	144	8	the	the	DET
eurjchem-322	144	9	gas	gas	NOUN
eurjchem-322	144	10	phase	phase	NOUN
eurjchem-322	144	11	geometries	geometry	NOUN
eurjchem-322	144	12	care	care	NOUN
eurjchem-322	144	13	must	must	AUX
eurjchem-322	144	14	be	be	AUX
eurjchem-322	144	15	taken	take	VERB
eurjchem-322	144	16	in	in	ADP
eurjchem-322	144	17	the	the	DET
eurjchem-322	144	18	analysis	analysis	NOUN
eurjchem-322	144	19	of	of	ADP
eurjchem-322	144	20	their	their	PRON
eurjchem-322	144	21	absolute	absolute	ADJ
eurjchem-322	144	22	values	value	NOUN
eurjchem-322	144	23	.	.	PUNCT
eurjchem-322	145	1	however	however	ADV
eurjchem-322	145	2	,	,	PUNCT
eurjchem-322	145	3	the	the	DET
eurjchem-322	145	4	resultant	resultant	NOUN
eurjchem-322	145	5	simplifications	simplification	NOUN
eurjchem-322	145	6	introduced	introduce	VERB
eurjchem-322	145	7	by	by	ADP
eurjchem-322	145	8	the	the	DET
eurjchem-322	145	9	model	model	NOUN
eurjchem-322	145	10	do	do	AUX
eurjchem-322	145	11	not	not	PART
eurjchem-322	145	12	preclude	preclude	VERB
eurjchem-322	145	13	the	the	DET
eurjchem-322	145	14	validity	validity	NOUN
eurjchem-322	145	15	of	of	ADP
eurjchem-322	145	16	the	the	DET
eurjchem-322	145	17	discussion	discussion	NOUN
eurjchem-322	145	18	based	base	VERB
eurjchem-322	145	19	on	on	ADP
eurjchem-322	145	20	relative	relative	ADJ
eurjchem-322	145	21	comparisons	comparison	NOUN
eurjchem-322	145	22	.	.	PUNCT
eurjchem-322	146	1	3.3.1	3.3.1	X
eurjchem-322	146	2	.	.	PUNCT
eurjchem-322	146	3	charge	charge	NOUN
eurjchem-322	146	4	distribution	distribution	NOUN
eurjchem-322	146	5	at	at	ADP
eurjchem-322	146	6	n1	n1	NOUN
eurjchem-322	146	7	the	the	DET
eurjchem-322	146	8	most	most	ADV
eurjchem-322	146	9	negative	negative	ADJ
eurjchem-322	146	10	atomic	atomic	ADJ
eurjchem-322	146	11	areas	area	NOUN
eurjchem-322	146	12	on	on	ADP
eurjchem-322	146	13	the	the	DET
eurjchem-322	146	14	molecule	molecule	NOUN
eurjchem-322	146	15	become	become	VERB
eurjchem-322	146	16	more	more	ADV
eurjchem-322	146	17	sensitive	sensitive	ADJ
eurjchem-322	146	18	to	to	ADP
eurjchem-322	146	19	acidic	acidic	ADJ
eurjchem-322	146	20	coordination	coordination	NOUN
eurjchem-322	146	21	.	.	PUNCT
eurjchem-322	147	1	the	the	DET
eurjchem-322	147	2	negative	negative	ADJ
eurjchem-322	147	3	charge	charge	NOUN
eurjchem-322	147	4	distributions	distribution	NOUN
eurjchem-322	147	5	are	be	AUX
eurjchem-322	147	6	often	often	ADV
eurjchem-322	147	7	due	due	ADJ
eurjchem-322	147	8	to	to	PART
eurjchem-322	147	9	inductive	inductive	ADJ
eurjchem-322	147	10	effects	effect	NOUN
eurjchem-322	147	11	of	of	ADP
eurjchem-322	147	12	substituents	substituent	NOUN
eurjchem-322	147	13	such	such	ADJ
eurjchem-322	147	14	as	as	ADP
eurjchem-322	147	15	alkyl	alkyl	ADJ
eurjchem-322	147	16	chains	chain	NOUN
eurjchem-322	147	17	or	or	CCONJ
eurjchem-322	147	18	other	other	ADJ
eurjchem-322	147	19	sigma	sigma	ADJ
eurjchem-322	147	20	electronic	electronic	ADJ
eurjchem-322	147	21	density	density	NOUN
eurjchem-322	147	22	donors	donor	NOUN
eurjchem-322	147	23	.	.	PUNCT
eurjchem-322	148	1	this	this	PRON
eurjchem-322	148	2	seems	seem	VERB
eurjchem-322	148	3	to	to	PART
eurjchem-322	148	4	be	be	AUX
eurjchem-322	148	5	the	the	DET
eurjchem-322	148	6	case	case	NOUN
eurjchem-322	148	7	for	for	ADP
eurjchem-322	148	8	the	the	DET
eurjchem-322	148	9	nitrogen	nitrogen	NOUN
eurjchem-322	148	10	atom	atom	NOUN
eurjchem-322	148	11	n1	n1	NOUN
eurjchem-322	148	12	where	where	SCONJ
eurjchem-322	148	13	the	the	DET
eurjchem-322	148	14	presence	presence	NOUN
eurjchem-322	148	15	of	of	ADP
eurjchem-322	148	16	an	an	DET
eurjchem-322	148	17	alkyl	alkyl	ADJ
eurjchem-322	148	18	substituent	substituent	NOUN
eurjchem-322	148	19	significantly	significantly	ADV
eurjchem-322	148	20	alters	alter	VERB
eurjchem-322	148	21	the	the	DET
eurjchem-322	148	22	charge	charge	NOUN
eurjchem-322	148	23	distribution	distribution	NOUN
eurjchem-322	148	24	in	in	ADP
eurjchem-322	148	25	the	the	DET
eurjchem-322	148	26	atom	atom	NOUN
eurjchem-322	148	27	,	,	PUNCT
eurjchem-322	148	28	decreasing	decrease	VERB
eurjchem-322	148	29	its	its	PRON
eurjchem-322	148	30	polarity	polarity	NOUN
eurjchem-322	148	31	thereby	thereby	ADV
eurjchem-322	148	32	making	make	VERB
eurjchem-322	148	33	a	a	DET
eurjchem-322	148	34	molecule	molecule	NOUN
eurjchem-322	148	35	with	with	ADP
eurjchem-322	148	36	lower	low	ADJ
eurjchem-322	148	37	donor	donor	NOUN
eurjchem-322	148	38	ability	ability	NOUN
eurjchem-322	148	39	in	in	ADP
eurjchem-322	148	40	this	this	DET
eurjchem-322	148	41	region	region	NOUN
eurjchem-322	148	42	.	.	PUNCT
eurjchem-322	149	1	3.3.2	3.3.2	X
eurjchem-322	149	2	.	.	PUNCT
eurjchem-322	149	3	charge	charge	NOUN
eurjchem-322	149	4	distribution	distribution	NOUN
eurjchem-322	149	5	at	at	ADP
eurjchem-322	149	6	c7	c7	PROPN
eurjchem-322	149	7	the	the	DET
eurjchem-322	149	8	variation	variation	NOUN
eurjchem-322	149	9	of	of	ADP
eurjchem-322	149	10	the	the	DET
eurjchem-322	149	11	charge	charge	NOUN
eurjchem-322	149	12	distribution	distribution	NOUN
eurjchem-322	149	13	at	at	ADP
eurjchem-322	149	14	carbon	carbon	NOUN
eurjchem-322	149	15	atom	atom	NOUN
eurjchem-322	149	16	c7	c7	PROPN
eurjchem-322	149	17	shows	show	VERB
eurjchem-322	149	18	that	that	SCONJ
eurjchem-322	149	19	the	the	DET
eurjchem-322	149	20	electron	electron	NOUN
eurjchem-322	149	21	density	density	NOUN
eurjchem-322	149	22	withdrawing	withdraw	VERB
eurjchem-322	149	23	effect	effect	NOUN
eurjchem-322	149	24	of	of	ADP
eurjchem-322	149	25	nitro	nitro	NOUN
eurjchem-322	149	26	group	group	NOUN
eurjchem-322	149	27	is	be	AUX
eurjchem-322	149	28	superior	superior	ADJ
eurjchem-322	149	29	to	to	ADP
eurjchem-322	149	30	chlorine	chlorine	NOUN
eurjchem-322	149	31	.	.	PUNCT
eurjchem-322	150	1	thus	thus	ADV
eurjchem-322	150	2	,	,	PUNCT
eurjchem-322	150	3	the	the	DET
eurjchem-322	150	4	charges	charge	NOUN
eurjchem-322	150	5	on	on	ADP
eurjchem-322	150	6	c7	c7	PROPN
eurjchem-322	150	7	for	for	ADP
eurjchem-322	150	8	compounds	compound	NOUN
eurjchem-322	150	9	belonging	belong	VERB
eurjchem-322	150	10	to	to	ADP
eurjchem-322	150	11	the	the	DET
eurjchem-322	150	12	g1	g1	PROPN
eurjchem-322	150	13	group	group	NOUN
eurjchem-322	150	14	are	be	AUX
eurjchem-322	150	15	slightly	slightly	ADV
eurjchem-322	150	16	negative	negative	ADJ
eurjchem-322	150	17	or	or	CCONJ
eurjchem-322	150	18	gomes	gome	NOUN
eurjchem-322	150	19	et	et	PROPN
eurjchem-322	150	20	al	al	PROPN
eurjchem-322	150	21	.	.	PUNCT
eurjchem-322	150	22	/	/	SYM
eurjchem-322	150	23	european	european	PROPN
eurjchem-322	150	24	journal	journal	PROPN
eurjchem-322	150	25	of	of	ADP
eurjchem-322	150	26	chemistry	chemistry	NOUN
eurjchem-322	150	27	2	2	NUM
eurjchem-322	150	28	(	(	PUNCT
eurjchem-322	150	29	1	1	NUM
eurjchem-322	150	30	)	)	PUNCT
eurjchem-322	150	31	(	(	PUNCT
eurjchem-322	150	32	2011	2011	NUM
eurjchem-322	150	33	)	)	PUNCT
eurjchem-322	151	1	1‐7	1‐7	NOUN
eurjchem-322	151	2	5	5	NUM
eurjchem-322	151	3	1.a	1.a	NUM
eurjchem-322	151	4	1.b	1.b	NUM
eurjchem-322	151	5	figure	figure	NOUN
eurjchem-322	151	6	4	4	NUM
eurjchem-322	151	7	.	.	PUNCT
eurjchem-322	152	1	the	the	DET
eurjchem-322	152	2	electrostatic	electrostatic	ADJ
eurjchem-322	152	3	potential	potential	NOUN
eurjchem-322	152	4	(	(	PUNCT
eurjchem-322	152	5	esp	esp	ADJ
eurjchem-322	152	6	)	)	PUNCT
eurjchem-322	152	7	,	,	PUNCT
eurjchem-322	152	8	mapped	map	VERB
eurjchem-322	152	9	on	on	ADP
eurjchem-322	152	10	an	an	DET
eurjchem-322	152	11	electron	electron	NOUN
eurjchem-322	152	12	density	density	NOUN
eurjchem-322	152	13	surface	surface	NOUN
eurjchem-322	152	14	(	(	PUNCT
eurjchem-322	152	15	that	that	PRON
eurjchem-322	152	16	was	be	AUX
eurjchem-322	152	17	given	give	VERB
eurjchem-322	152	18	by	by	ADP
eurjchem-322	152	19	scf	scf	PROPN
eurjchem-322	152	20	)	)	PUNCT
eurjchem-322	152	21	for	for	ADP
eurjchem-322	152	22	1.a	1.a	NUM
eurjchem-322	152	23	(	(	PUNCT
eurjchem-322	152	24	7‐cl‐1‐me‐2'h‐bz	7‐cl‐1‐me‐2'h‐bz	NUM
eurjchem-322	152	25	)	)	PUNCT
eurjchem-322	152	26	and	and	CCONJ
eurjchem-322	152	27	for	for	ADP
eurjchem-322	152	28	1.b	1.b	NUM
eurjchem-322	152	29	(	(	PUNCT
eurjchem-322	152	30	7‐cl‐1‐n	7‐cl‐1‐n	NUM
eurjchem-322	152	31	(	(	PUNCT
eurjchem-322	152	32	et	et	NOUN
eurjchem-322	152	33	)	)	PUNCT
eurjchem-322	152	34	3‐2'f‐bz	3‐2'f‐bz	NUM
eurjchem-322	152	35	)	)	PUNCT
eurjchem-322	152	36	.	.	PUNCT
eurjchem-322	153	1	the	the	DET
eurjchem-322	153	2	positively	positively	ADV
eurjchem-322	153	3	charged	charge	VERB
eurjchem-322	153	4	regions	region	NOUN
eurjchem-322	153	5	are	be	AUX
eurjchem-322	153	6	blue	blue	ADJ
eurjchem-322	153	7	and	and	CCONJ
eurjchem-322	153	8	green	green	ADJ
eurjchem-322	153	9	while	while	SCONJ
eurjchem-322	153	10	regions	region	NOUN
eurjchem-322	153	11	with	with	ADP
eurjchem-322	153	12	higher	high	ADJ
eurjchem-322	153	13	electron	electron	NOUN
eurjchem-322	153	14	density	density	NOUN
eurjchem-322	153	15	are	be	AUX
eurjchem-322	153	16	mapped	map	VERB
eurjchem-322	153	17	from	from	ADP
eurjchem-322	153	18	red	red	ADJ
eurjchem-322	153	19	to	to	ADP
eurjchem-322	153	20	yellow	yellow	ADJ
eurjchem-322	153	21	.	.	PUNCT
eurjchem-322	154	1	the	the	DET
eurjchem-322	154	2	isovalue	isovalue	NOUN
eurjchem-322	154	3	taken	take	VERB
eurjchem-322	154	4	was	be	AUX
eurjchem-322	154	5	0.04	0.04	NUM
eurjchem-322	154	6	e	e	NOUN
eurjchem-322	154	7	/	/	SYM
eurjchem-322	154	8	å3	å3	PROPN
eurjchem-322	154	9	.	.	PUNCT
eurjchem-322	155	1	2.a	2.a	NUM
eurjchem-322	155	2	2.b	2.b	NUM
eurjchem-322	155	3	2.c	2.c	NUM
eurjchem-322	155	4	figure	figure	NOUN
eurjchem-322	155	5	5	5	NUM
eurjchem-322	155	6	.	.	PUNCT
eurjchem-322	156	1	the	the	DET
eurjchem-322	156	2	electrostatic	electrostatic	ADJ
eurjchem-322	156	3	potential	potential	NOUN
eurjchem-322	156	4	(	(	PUNCT
eurjchem-322	156	5	esp	esp	ADJ
eurjchem-322	156	6	)	)	PUNCT
eurjchem-322	156	7	,	,	PUNCT
eurjchem-322	156	8	mapped	map	VERB
eurjchem-322	156	9	on	on	ADP
eurjchem-322	156	10	an	an	DET
eurjchem-322	156	11	electron	electron	NOUN
eurjchem-322	156	12	density	density	NOUN
eurjchem-322	156	13	surface	surface	NOUN
eurjchem-322	156	14	(	(	PUNCT
eurjchem-322	156	15	that	that	PRON
eurjchem-322	156	16	was	be	AUX
eurjchem-322	156	17	given	give	VERB
eurjchem-322	156	18	by	by	ADP
eurjchem-322	156	19	scf	scf	PROPN
eurjchem-322	156	20	)	)	PUNCT
eurjchem-322	156	21	for	for	ADP
eurjchem-322	156	22	2.a	2.a	NUM
eurjchem-322	156	23	(	(	PUNCT
eurjchem-322	156	24	7‐cl‐1‐	7‐cl‐1‐	NUM
eurjchem-322	156	25	me‐2'h‐bz	me‐2'h‐bz	NOUN
eurjchem-322	156	26	)	)	PUNCT
eurjchem-322	156	27	,	,	PUNCT
eurjchem-322	156	28	for	for	ADP
eurjchem-322	156	29	2.b	2.b	NUM
eurjchem-322	156	30	7‐no2‐2’cl‐bz	7‐no2‐2’cl‐bz	NUM
eurjchem-322	156	31	and	and	CCONJ
eurjchem-322	156	32	2.c	2.c	NUM
eurjchem-322	156	33	,	,	PUNCT
eurjchem-322	156	34	7‐no2‐2’f‐bz	7‐no2‐2’f‐bz	NUM
eurjchem-322	156	35	.	.	PUNCT
eurjchem-322	156	36	the	the	DET
eurjchem-322	156	37	positively	positively	ADV
eurjchem-322	156	38	charged	charge	VERB
eurjchem-322	156	39	regions	region	NOUN
eurjchem-322	156	40	are	be	AUX
eurjchem-322	156	41	blue	blue	ADJ
eurjchem-322	156	42	and	and	CCONJ
eurjchem-322	156	43	green	green	ADJ
eurjchem-322	156	44	while	while	SCONJ
eurjchem-322	156	45	regions	region	NOUN
eurjchem-322	156	46	with	with	ADP
eurjchem-322	156	47	higher	high	ADJ
eurjchem-322	156	48	electron	electron	NOUN
eurjchem-322	156	49	density	density	NOUN
eurjchem-322	156	50	are	be	AUX
eurjchem-322	156	51	mapped	map	VERB
eurjchem-322	156	52	from	from	ADP
eurjchem-322	156	53	red	red	ADJ
eurjchem-322	156	54	to	to	ADP
eurjchem-322	156	55	yellow	yellow	ADJ
eurjchem-322	156	56	.	.	PUNCT
eurjchem-322	157	1	the	the	DET
eurjchem-322	157	2	isovalue	isovalue	NOUN
eurjchem-322	157	3	taken	take	VERB
eurjchem-322	157	4	was	be	AUX
eurjchem-322	157	5	0.04	0.04	NUM
eurjchem-322	157	6	e	e	NOUN
eurjchem-322	157	7	/	/	SYM
eurjchem-322	157	8	å3	å3	PROPN
eurjchem-322	157	9	.	.	PUNCT
eurjchem-322	158	1	very	very	ADV
eurjchem-322	158	2	close	close	ADV
eurjchem-322	158	3	to	to	ADP
eurjchem-322	158	4	neutrality	neutrality	NOUN
eurjchem-322	158	5	.	.	PUNCT
eurjchem-322	159	1	however	however	ADV
eurjchem-322	159	2	,	,	PUNCT
eurjchem-322	159	3	c7	c7	PROPN
eurjchem-322	159	4	in	in	ADP
eurjchem-322	159	5	g2	g2	PROPN
eurjchem-322	159	6	group	group	NOUN
eurjchem-322	159	7	compounds	compound	NOUN
eurjchem-322	159	8	is	be	AUX
eurjchem-322	159	9	slightly	slightly	ADV
eurjchem-322	159	10	electropositive	electropositive	ADJ
eurjchem-322	159	11	due	due	ADP
eurjchem-322	159	12	to	to	ADP
eurjchem-322	159	13	the	the	DET
eurjchem-322	159	14	negative	negative	ADJ
eurjchem-322	159	15	inductive	inductive	ADJ
eurjchem-322	159	16	effect	effect	NOUN
eurjchem-322	159	17	of	of	ADP
eurjchem-322	159	18	the	the	DET
eurjchem-322	159	19	nitro	nitro	NOUN
eurjchem-322	159	20	group	group	NOUN
eurjchem-322	159	21	,	,	PUNCT
eurjchem-322	159	22	since	since	SCONJ
eurjchem-322	159	23	the	the	DET
eurjchem-322	159	24	sp2	sp2	NOUN
eurjchem-322	159	25	hybridization	hybridization	NOUN
eurjchem-322	159	26	of	of	ADP
eurjchem-322	159	27	this	this	DET
eurjchem-322	159	28	group	group	NOUN
eurjchem-322	159	29	allows	allow	VERB
eurjchem-322	159	30	the	the	DET
eurjchem-322	159	31	flow	flow	NOUN
eurjchem-322	159	32	of	of	ADP
eurjchem-322	159	33	the	the	DET
eurjchem-322	159	34	electron	electron	NOUN
eurjchem-322	159	35	cloud	cloud	NOUN
eurjchem-322	159	36	to	to	ADP
eurjchem-322	159	37	the	the	DET
eurjchem-322	159	38	oxygen	oxygen	NOUN
eurjchem-322	159	39	atoms	atom	NOUN
eurjchem-322	159	40	.	.	PUNCT
eurjchem-322	160	1	3.3.3	3.3.3	NUM
eurjchem-322	160	2	.	.	PUNCT
eurjchem-322	160	3	charge	charge	NOUN
eurjchem-322	160	4	distribution	distribution	NOUN
eurjchem-322	160	5	at	at	ADP
eurjchem-322	160	6	c2	c2	PROPN
eurjchem-322	160	7	'	'	PART
eurjchem-322	160	8	the	the	DET
eurjchem-322	160	9	effect	effect	NOUN
eurjchem-322	160	10	of	of	ADP
eurjchem-322	160	11	variation	variation	NOUN
eurjchem-322	160	12	in	in	ADP
eurjchem-322	160	13	charge	charge	NOUN
eurjchem-322	160	14	on	on	ADP
eurjchem-322	160	15	the	the	DET
eurjchem-322	160	16	c2	c2	PROPN
eurjchem-322	160	17	’	'	PUNCT
eurjchem-322	160	18	carbon	carbon	NOUN
eurjchem-322	160	19	atom	atom	NOUN
eurjchem-322	160	20	seems	seem	VERB
eurjchem-322	160	21	to	to	PART
eurjchem-322	160	22	be	be	AUX
eurjchem-322	160	23	more	more	ADV
eurjchem-322	160	24	pronounced	pronounced	ADJ
eurjchem-322	160	25	for	for	ADP
eurjchem-322	160	26	the	the	DET
eurjchem-322	160	27	c	c	PROPN
eurjchem-322	160	28	–	–	PUNCT
eurjchem-322	160	29	f	f	NOUN
eurjchem-322	160	30	bond	bond	NOUN
eurjchem-322	160	31	as	as	SCONJ
eurjchem-322	160	32	compared	compare	VERB
eurjchem-322	160	33	with	with	ADP
eurjchem-322	160	34	c	c	PROPN
eurjchem-322	160	35	–	–	PUNCT
eurjchem-322	160	36	h	h	NOUN
eurjchem-322	160	37	and	and	CCONJ
eurjchem-322	160	38	c	c	NOUN
eurjchem-322	160	39	–	–	PUNCT
eurjchem-322	160	40	cl	cl	NOUN
eurjchem-322	160	41	bonds	bond	NOUN
eurjchem-322	160	42	.	.	PUNCT
eurjchem-322	161	1	in	in	ADP
eurjchem-322	161	2	fact	fact	NOUN
eurjchem-322	161	3	,	,	PUNCT
eurjchem-322	161	4	by	by	ADP
eurjchem-322	161	5	comparing	compare	VERB
eurjchem-322	161	6	the	the	DET
eurjchem-322	161	7	atomic	atomic	ADJ
eurjchem-322	161	8	charges	charge	NOUN
eurjchem-322	161	9	at	at	ADP
eurjchem-322	161	10	carbon	carbon	NOUN
eurjchem-322	161	11	atom	atom	NOUN
eurjchem-322	161	12	c2	c2	PROPN
eurjchem-322	161	13	'	'	PUNCT
eurjchem-322	161	14	in	in	ADP
eurjchem-322	161	15	the	the	DET
eurjchem-322	161	16	presence	presence	NOUN
eurjchem-322	161	17	and	and	CCONJ
eurjchem-322	161	18	absence	absence	NOUN
eurjchem-322	161	19	of	of	ADP
eurjchem-322	161	20	the	the	DET
eurjchem-322	161	21	fluorine	fluorine	NOUN
eurjchem-322	161	22	atom	atom	NOUN
eurjchem-322	161	23	,	,	PUNCT
eurjchem-322	161	24	it	it	PRON
eurjchem-322	161	25	appears	appear	VERB
eurjchem-322	161	26	that	that	SCONJ
eurjchem-322	161	27	the	the	DET
eurjchem-322	161	28	c	c	PROPN
eurjchem-322	161	29	–	–	PUNCT
eurjchem-322	161	30	f	f	PROPN
eurjchem-322	161	31	bond	bond	NOUN
eurjchem-322	161	32	reverses	reverse	VERB
eurjchem-322	161	33	the	the	DET
eurjchem-322	161	34	polarity	polarity	NOUN
eurjchem-322	161	35	of	of	ADP
eurjchem-322	161	36	the	the	DET
eurjchem-322	161	37	carbon	carbon	NOUN
eurjchem-322	161	38	atom	atom	NOUN
eurjchem-322	161	39	c2	c2	PROPN
eurjchem-322	161	40	'	'	PART
eurjchem-322	161	41	making	make	VERB
eurjchem-322	161	42	it	it	PRON
eurjchem-322	161	43	quite	quite	ADV
eurjchem-322	161	44	electro‐	electro‐	NOUN
eurjchem-322	161	45	positive	positive	ADJ
eurjchem-322	161	46	.	.	PUNCT
eurjchem-322	162	1	the	the	DET
eurjchem-322	162	2	replacement	replacement	NOUN
eurjchem-322	162	3	of	of	ADP
eurjchem-322	162	4	a	a	DET
eurjchem-322	162	5	hydrogen	hydrogen	NOUN
eurjchem-322	162	6	atom	atom	NOUN
eurjchem-322	162	7	of	of	ADP
eurjchem-322	162	8	a	a	DET
eurjchem-322	162	9	hydrocarbon	hydrocarbon	NOUN
eurjchem-322	162	10	by	by	ADP
eurjchem-322	162	11	a	a	DET
eurjchem-322	162	12	fluorine	fluorine	NOUN
eurjchem-322	162	13	atom	atom	NOUN
eurjchem-322	162	14	significantly	significantly	ADV
eurjchem-322	162	15	influences	influence	VERB
eurjchem-322	162	16	the	the	DET
eurjchem-322	162	17	physicochemical	physicochemical	ADJ
eurjchem-322	162	18	properties	property	NOUN
eurjchem-322	162	19	of	of	ADP
eurjchem-322	162	20	this	this	DET
eurjchem-322	162	21	compound	compound	NOUN
eurjchem-322	162	22	.	.	PUNCT
eurjchem-322	163	1	the	the	DET
eurjchem-322	163	2	fluorine	fluorine	NOUN
eurjchem-322	163	3	atom	atom	NOUN
eurjchem-322	163	4	is	be	AUX
eurjchem-322	163	5	more	more	ADV
eurjchem-322	163	6	electronegative	electronegative	ADJ
eurjchem-322	163	7	than	than	ADP
eurjchem-322	163	8	the	the	DET
eurjchem-322	163	9	hydrogen	hydrogen	NOUN
eurjchem-322	163	10	atom	atom	NOUN
eurjchem-322	163	11	and	and	CCONJ
eurjchem-322	163	12	its	its	PRON
eurjchem-322	163	13	atomic	atomic	ADJ
eurjchem-322	163	14	volume	volume	NOUN
eurjchem-322	163	15	is	be	AUX
eurjchem-322	163	16	also	also	ADV
eurjchem-322	163	17	much	much	ADV
eurjchem-322	163	18	higher	high	ADJ
eurjchem-322	163	19	:	:	PUNCT
eurjchem-322	163	20	the	the	DET
eurjchem-322	163	21	van	van	PROPN
eurjchem-322	163	22	der	der	NOUN
eurjchem-322	163	23	waals	waal	NOUN
eurjchem-322	163	24	radius	radius	VERB
eurjchem-322	163	25	for	for	ADP
eurjchem-322	163	26	hydrogen	hydrogen	NOUN
eurjchem-322	163	27	atom	atom	NOUN
eurjchem-322	163	28	is	be	AUX
eurjchem-322	163	29	1.20	1.20	NUM
eurjchem-322	163	30	å	å	NOUN
eurjchem-322	163	31	,	,	PUNCT
eurjchem-322	163	32	while	while	SCONJ
eurjchem-322	163	33	for	for	ADP
eurjchem-322	163	34	fluoride	fluoride	NOUN
eurjchem-322	163	35	is	be	AUX
eurjchem-322	163	36	1.47	1.47	NUM
eurjchem-322	163	37	å	å	NOUN
eurjchem-322	163	38	.	.	PUNCT
eurjchem-322	164	1	the	the	DET
eurjchem-322	164	2	high	high	ADJ
eurjchem-322	164	3	electronegativity	electronegativity	NOUN
eurjchem-322	164	4	of	of	ADP
eurjchem-322	164	5	fluorine	fluorine	NOUN
eurjchem-322	164	6	atom	atom	NOUN
eurjchem-322	164	7	and	and	CCONJ
eurjchem-322	164	8	the	the	DET
eurjchem-322	164	9	similarity	similarity	NOUN
eurjchem-322	164	10	of	of	ADP
eurjchem-322	164	11	its	its	PRON
eurjchem-322	164	12	orbital	orbital	NOUN
eurjchem-322	164	13	,	,	PUNCT
eurjchem-322	164	14	in	in	ADP
eurjchem-322	164	15	terms	term	NOUN
eurjchem-322	164	16	of	of	ADP
eurjchem-322	164	17	size	size	NOUN
eurjchem-322	164	18	and	and	CCONJ
eurjchem-322	164	19	energy	energy	NOUN
eurjchem-322	164	20	on	on	ADP
eurjchem-322	164	21	the	the	DET
eurjchem-322	164	22	carbon	carbon	NOUN
eurjchem-322	164	23	atom	atom	NOUN
eurjchem-322	164	24	,	,	PUNCT
eurjchem-322	164	25	allows	allow	VERB
eurjchem-322	164	26	for	for	ADP
eurjchem-322	164	27	a	a	DET
eurjchem-322	164	28	very	very	ADV
eurjchem-322	164	29	strong	strong	ADJ
eurjchem-322	164	30	bond	bond	NOUN
eurjchem-322	164	31	.	.	PUNCT
eurjchem-322	165	1	thus	thus	ADV
eurjchem-322	165	2	,	,	PUNCT
eurjchem-322	165	3	the	the	DET
eurjchem-322	165	4	carbon	carbon	NOUN
eurjchem-322	165	5	–	–	PUNCT
eurjchem-322	165	6	fluorine	fluorine	NOUN
eurjchem-322	165	7	bond	bond	NOUN
eurjchem-322	165	8	is	be	AUX
eurjchem-322	165	9	the	the	DET
eurjchem-322	165	10	highest	high	ADJ
eurjchem-322	165	11	energy	energy	NOUN
eurjchem-322	165	12	at	at	ADP
eurjchem-322	165	13	which	which	PRON
eurjchem-322	165	14	a	a	DET
eurjchem-322	165	15	carbon	carbon	NOUN
eurjchem-322	165	16	atom	atom	NOUN
eurjchem-322	165	17	can	can	AUX
eurjchem-322	165	18	participate	participate	VERB
eurjchem-322	165	19	[	[	X
eurjchem-322	165	20	21,22	21,22	NOUN
eurjchem-322	165	21	]	]	X
eurjchem-322	165	22	.	.	PUNCT
eurjchem-322	166	1	the	the	DET
eurjchem-322	166	2	difference	difference	NOUN
eurjchem-322	166	3	in	in	ADP
eurjchem-322	166	4	electronegativity	electronegativity	NOUN
eurjchem-322	166	5	between	between	ADP
eurjchem-322	166	6	the	the	DET
eurjchem-322	166	7	carbon	carbon	NOUN
eurjchem-322	166	8	and	and	CCONJ
eurjchem-322	166	9	fluorine	fluorine	NOUN
eurjchem-322	166	10	atom	atom	NOUN
eurjchem-322	166	11	generates	generate	VERB
eurjchem-322	166	12	a	a	DET
eurjchem-322	166	13	large	large	ADJ
eurjchem-322	166	14	dipole	dipole	NOUN
eurjchem-322	166	15	moment	moment	NOUN
eurjchem-322	166	16	which	which	PRON
eurjchem-322	166	17	,	,	PUNCT
eurjchem-322	166	18	if	if	SCONJ
eurjchem-322	166	19	combined	combine	VERB
eurjchem-322	166	20	with	with	ADP
eurjchem-322	166	21	the	the	DET
eurjchem-322	166	22	electrostatic	electrostatic	ADJ
eurjchem-322	166	23	distribution	distribution	NOUN
eurjchem-322	166	24	of	of	ADP
eurjchem-322	166	25	a	a	DET
eurjchem-322	166	26	specific	specific	ADJ
eurjchem-322	166	27	molecule	molecule	NOUN
eurjchem-322	166	28	,	,	PUNCT
eurjchem-322	166	29	may	may	AUX
eurjchem-322	166	30	contribute	contribute	VERB
eurjchem-322	166	31	to	to	ADP
eurjchem-322	166	32	the	the	DET
eurjchem-322	166	33	ability	ability	NOUN
eurjchem-322	166	34	of	of	ADP
eurjchem-322	166	35	the	the	DET
eurjchem-322	166	36	molecule	molecule	NOUN
eurjchem-322	166	37	to	to	PART
eurjchem-322	166	38	participate	participate	VERB
eurjchem-322	166	39	in	in	ADP
eurjchem-322	166	40	intermolecular	intermolecular	ADJ
eurjchem-322	166	41	interactions	interaction	NOUN
eurjchem-322	166	42	.	.	PUNCT
eurjchem-322	167	1	this	this	PRON
eurjchem-322	167	2	is	be	AUX
eurjchem-322	167	3	particularly	particularly	ADV
eurjchem-322	167	4	true	true	ADJ
eurjchem-322	167	5	in	in	ADP
eurjchem-322	167	6	aromatic	aromatic	ADJ
eurjchem-322	167	7	systems	system	NOUN
eurjchem-322	167	8	,	,	PUNCT
eurjchem-322	167	9	examples	example	NOUN
eurjchem-322	167	10	of	of	ADP
eurjchem-322	167	11	which	which	PRON
eurjchem-322	167	12	are	be	AUX
eurjchem-322	167	13	the	the	DET
eurjchem-322	167	14	bzs	bzs	NOUN
eurjchem-322	167	15	,	,	PUNCT
eurjchem-322	167	16	where	where	SCONJ
eurjchem-322	167	17	the	the	DET
eurjchem-322	167	18	introduction	introduction	NOUN
eurjchem-322	167	19	of	of	ADP
eurjchem-322	167	20	a	a	DET
eurjchem-322	167	21	fluorine	fluorine	NOUN
eurjchem-322	167	22	atom	atom	NOUN
eurjchem-322	167	23	modifies	modify	VERB
eurjchem-322	167	24	the	the	DET
eurjchem-322	167	25	distribution	distribution	NOUN
eurjchem-322	167	26	of	of	ADP
eurjchem-322	167	27	electrostatic	electrostatic	ADJ
eurjchem-322	167	28	surface	surface	NOUN
eurjchem-322	167	29	of	of	ADP
eurjchem-322	167	30	the	the	DET
eurjchem-322	167	31	molecule	molecule	NOUN
eurjchem-322	167	32	and	and	CCONJ
eurjchem-322	167	33	may	may	AUX
eurjchem-322	167	34	also	also	ADV
eurjchem-322	167	35	induce	induce	VERB
eurjchem-322	167	36	new	new	ADJ
eurjchem-322	167	37	potential	potential	ADJ
eurjchem-322	167	38	binding	bind	VERB
eurjchem-322	167	39	sites	site	NOUN
eurjchem-322	167	40	on	on	ADP
eurjchem-322	167	41	the	the	DET
eurjchem-322	167	42	molecule	molecule	NOUN
eurjchem-322	167	43	in	in	ADP
eurjchem-322	167	44	question	question	NOUN
eurjchem-322	167	45	located	locate	VERB
eurjchem-322	167	46	close	close	ADV
eurjchem-322	167	47	of	of	ADP
eurjchem-322	167	48	fluorine	fluorine	NOUN
eurjchem-322	167	49	atoms	atom	NOUN
eurjchem-322	167	50	.	.	PUNCT
eurjchem-322	168	1	3.4	3.4	NUM
eurjchem-322	168	2	.	.	PUNCT
eurjchem-322	168	3	isoelectronic	isoelectronic	ADJ
eurjchem-322	168	4	potential	potential	ADJ
eurjchem-322	168	5	surfaces	surface	NOUN
eurjchem-322	168	6	concerning	concern	VERB
eurjchem-322	168	7	ligand‐receptor	ligand‐receptor	NOUN
eurjchem-322	168	8	binding	binding	NOUN
eurjchem-322	168	9	(	(	PUNCT
eurjchem-322	168	10	drug‐receptor	drug‐receptor	NOUN
eurjchem-322	168	11	)	)	PUNCT
eurjchem-322	168	12	not	not	PART
eurjchem-322	168	13	only	only	ADV
eurjchem-322	168	14	the	the	DET
eurjchem-322	168	15	polarity	polarity	NOUN
eurjchem-322	168	16	of	of	ADP
eurjchem-322	168	17	the	the	DET
eurjchem-322	168	18	molecule	molecule	NOUN
eurjchem-322	168	19	or	or	CCONJ
eurjchem-322	168	20	its	its	PRON
eurjchem-322	168	21	electronic	electronic	ADJ
eurjchem-322	168	22	charge	charge	NOUN
eurjchem-322	168	23	distribution	distribution	NOUN
eurjchem-322	168	24	should	should	AUX
eurjchem-322	168	25	be	be	AUX
eurjchem-322	168	26	envisaged	envisage	VERB
eurjchem-322	168	27	.	.	PUNCT
eurjchem-322	169	1	the	the	DET
eurjchem-322	169	2	approach	approach	NOUN
eurjchem-322	169	3	of	of	ADP
eurjchem-322	169	4	the	the	DET
eurjchem-322	169	5	drug	drug	NOUN
eurjchem-322	169	6	to	to	ADP
eurjchem-322	169	7	the	the	DET
eurjchem-322	169	8	receptor	receptor	NOUN
eurjchem-322	169	9	for	for	ADP
eurjchem-322	169	10	linking	link	VERB
eurjchem-322	169	11	is	be	AUX
eurjchem-322	169	12	,	,	PUNCT
eurjchem-322	169	13	possibly	possibly	ADV
eurjchem-322	169	14	,	,	PUNCT
eurjchem-322	169	15	carried	carry	VERB
eurjchem-322	169	16	out	out	ADP
eurjchem-322	169	17	by	by	ADP
eurjchem-322	169	18	a	a	DET
eurjchem-322	169	19	process	process	NOUN
eurjchem-322	169	20	that	that	PRON
eurjchem-322	169	21	involves	involve	VERB
eurjchem-322	169	22	the	the	DET
eurjchem-322	169	23	presence	presence	NOUN
eurjchem-322	169	24	of	of	ADP
eurjchem-322	169	25	a	a	DET
eurjchem-322	169	26	cavity	cavity	NOUN
eurjchem-322	169	27	in	in	ADP
eurjchem-322	169	28	the	the	DET
eurjchem-322	169	29	active	active	ADJ
eurjchem-322	169	30	site	site	NOUN
eurjchem-322	169	31	,	,	PUNCT
eurjchem-322	169	32	the	the	DET
eurjchem-322	169	33	establishment	establishment	NOUN
eurjchem-322	169	34	of	of	ADP
eurjchem-322	169	35	intermolecular	intermolecular	ADJ
eurjchem-322	169	36	connections	connection	NOUN
eurjchem-322	169	37	(	(	PUNCT
eurjchem-322	169	38	that	that	PRON
eurjchem-322	169	39	can	can	AUX
eurjchem-322	169	40	be	be	AUX
eurjchem-322	169	41	of	of	ADP
eurjchem-322	169	42	electrostatic	electrostatic	ADJ
eurjchem-322	169	43	nature	nature	NOUN
eurjchem-322	169	44	or	or	CCONJ
eurjchem-322	169	45	hydrophobic	hydrophobic	NOUN
eurjchem-322	169	46	/	/	SYM
eurjchem-322	169	47	hydrophilic	hydrophilic	NOUN
eurjchem-322	169	48	interactions	interaction	NOUN
eurjchem-322	169	49	)	)	PUNCT
eurjchem-322	169	50	,	,	PUNCT
eurjchem-322	169	51	and	and	CCONJ
eurjchem-322	169	52	a	a	DET
eurjchem-322	169	53	possible	possible	ADJ
eurjchem-322	169	54	rearrangement	rearrangement	NOUN
eurjchem-322	169	55	of	of	ADP
eurjchem-322	169	56	the	the	DET
eurjchem-322	169	57	active	active	ADJ
eurjchem-322	169	58	site	site	NOUN
eurjchem-322	169	59	due	due	ADP
eurjchem-322	169	60	to	to	ADP
eurjchem-322	169	61	the	the	DET
eurjchem-322	169	62	above	above	ADJ
eurjchem-322	169	63	mentioned	mention	VERB
eurjchem-322	169	64	interactions	interaction	NOUN
eurjchem-322	169	65	.	.	PUNCT
eurjchem-322	170	1	since	since	SCONJ
eurjchem-322	170	2	this	this	PRON
eurjchem-322	170	3	is	be	AUX
eurjchem-322	170	4	a	a	DET
eurjchem-322	170	5	dynamic	dynamic	ADJ
eurjchem-322	170	6	process	process	NOUN
eurjchem-322	170	7	,	,	PUNCT
eurjchem-322	170	8	the	the	DET
eurjchem-322	170	9	charge	charge	NOUN
eurjchem-322	170	10	distribution	distribution	NOUN
eurjchem-322	170	11	on	on	ADP
eurjchem-322	170	12	the	the	DET
eurjchem-322	170	13	molecular	molecular	ADJ
eurjchem-322	170	14	surface	surface	NOUN
eurjchem-322	170	15	could	could	AUX
eurjchem-322	170	16	probably	probably	ADV
eurjchem-322	170	17	play	play	VERB
eurjchem-322	170	18	an	an	DET
eurjchem-322	170	19	important	important	ADJ
eurjchem-322	170	20	role	role	NOUN
eurjchem-322	170	21	in	in	ADP
eurjchem-322	170	22	the	the	DET
eurjchem-322	170	23	establishing	establishing	NOUN
eurjchem-322	170	24	of	of	ADP
eurjchem-322	170	25	the	the	DET
eurjchem-322	170	26	drug‐	drug‐	NOUN
eurjchem-322	170	27	receptor	receptor	NOUN
eurjchem-322	170	28	interaction	interaction	NOUN
eurjchem-322	170	29	.	.	PUNCT
eurjchem-322	171	1	molecules	molecule	NOUN
eurjchem-322	171	2	can	can	AUX
eurjchem-322	171	3	exhibit	exhibit	VERB
eurjchem-322	171	4	different	different	ADJ
eurjchem-322	171	5	molecular	molecular	ADJ
eurjchem-322	171	6	electronic	electronic	ADJ
eurjchem-322	171	7	charge	charge	NOUN
eurjchem-322	171	8	distributions	distribution	NOUN
eurjchem-322	171	9	depending	depend	VERB
eurjchem-322	171	10	on	on	ADP
eurjchem-322	171	11	the	the	DET
eurjchem-322	171	12	radial	radial	ADJ
eurjchem-322	171	13	distance	distance	NOUN
eurjchem-322	171	14	to	to	ADP
eurjchem-322	171	15	the	the	DET
eurjchem-322	171	16	atoms	atom	NOUN
eurjchem-322	171	17	nuclei	nucleus	NOUN
eurjchem-322	171	18	.	.	PUNCT
eurjchem-322	172	1	thus	thus	ADV
eurjchem-322	172	2	,	,	PUNCT
eurjchem-322	172	3	a	a	DET
eurjchem-322	172	4	group	group	NOUN
eurjchem-322	172	5	that	that	PRON
eurjchem-322	172	6	is	be	AUX
eurjchem-322	172	7	"	"	PUNCT
eurjchem-322	172	8	a	a	DET
eurjchem-322	172	9	strong	strong	ADJ
eurjchem-322	172	10	attractor	attractor	NOUN
eurjchem-322	172	11	of	of	ADP
eurjchem-322	172	12	electron	electron	NOUN
eurjchem-322	172	13	density	density	NOUN
eurjchem-322	172	14	"	"	PUNCT
eurjchem-322	172	15	can	can	AUX
eurjchem-322	172	16	localize	localize	VERB
eurjchem-322	172	17	the	the	DET
eurjchem-322	172	18	negative	negative	ADJ
eurjchem-322	172	19	charge	charge	NOUN
eurjchem-322	172	20	over	over	ADP
eurjchem-322	172	21	a	a	DET
eurjchem-322	172	22	distance	distance	NOUN
eurjchem-322	172	23	closer	close	ADJ
eurjchem-322	172	24	to	to	ADP
eurjchem-322	172	25	the	the	DET
eurjchem-322	172	26	core	core	NOUN
eurjchem-322	172	27	than	than	ADP
eurjchem-322	172	28	a	a	DET
eurjchem-322	172	29	weaker	weak	ADJ
eurjchem-322	172	30	attractor	attractor	NOUN
eurjchem-322	172	31	of	of	ADP
eurjchem-322	172	32	that	that	DET
eurjchem-322	172	33	density	density	NOUN
eurjchem-322	172	34	.	.	PUNCT
eurjchem-322	173	1	consequently	consequently	ADV
eurjchem-322	173	2	,	,	PUNCT
eurjchem-322	173	3	the	the	DET
eurjchem-322	173	4	effect	effect	NOUN
eurjchem-322	173	5	of	of	ADP
eurjchem-322	173	6	the	the	DET
eurjchem-322	173	7	less	less	ADV
eurjchem-322	173	8	electron	electron	NOUN
eurjchem-322	173	9	attractor	attractor	NOUN
eurjchem-322	173	10	group	group	NOUN
eurjchem-322	173	11	density	density	NOUN
eurjchem-322	173	12	on	on	ADP
eurjchem-322	173	13	the	the	DET
eurjchem-322	173	14	approach	approach	NOUN
eurjchem-322	173	15	to	to	ADP
eurjchem-322	173	16	a	a	DET
eurjchem-322	173	17	receptor	receptor	NOUN
eurjchem-322	173	18	can	can	AUX
eurjchem-322	173	19	prevail	prevail	VERB
eurjchem-322	173	20	over	over	ADP
eurjchem-322	173	21	the	the	DET
eurjchem-322	173	22	former	former	NOUN
eurjchem-322	173	23	.	.	PUNCT
eurjchem-322	174	1	the	the	DET
eurjchem-322	174	2	electrostatic	electrostatic	ADJ
eurjchem-322	174	3	potential	potential	ADJ
eurjchem-322	174	4	surfaces	surface	NOUN
eurjchem-322	174	5	obtained	obtain	VERB
eurjchem-322	174	6	for	for	ADP
eurjchem-322	174	7	the	the	DET
eurjchem-322	174	8	representative	representative	ADJ
eurjchem-322	174	9	compounds	compound	NOUN
eurjchem-322	174	10	are	be	AUX
eurjchem-322	174	11	depicted	depict	VERB
eurjchem-322	174	12	in	in	ADP
eurjchem-322	174	13	figure	figure	NOUN
eurjchem-322	174	14	4	4	NUM
eurjchem-322	174	15	and	and	CCONJ
eurjchem-322	174	16	5	5	NUM
eurjchem-322	174	17	.	.	PUNCT
eurjchem-322	175	1	the	the	DET
eurjchem-322	175	2	large	large	ADJ
eurjchem-322	175	3	red	red	ADJ
eurjchem-322	175	4	region	region	NOUN
eurjchem-322	175	5	around	around	ADP
eurjchem-322	175	6	the	the	DET
eurjchem-322	175	7	carbonyl	carbonyl	NOUN
eurjchem-322	175	8	oxygen	oxygen	NOUN
eurjchem-322	175	9	is	be	AUX
eurjchem-322	175	10	indicative	indicative	ADJ
eurjchem-322	175	11	of	of	ADP
eurjchem-322	175	12	the	the	DET
eurjchem-322	175	13	existence	existence	NOUN
eurjchem-322	175	14	of	of	ADP
eurjchem-322	175	15	higher	high	ADJ
eurjchem-322	175	16	negative	negative	ADJ
eurjchem-322	175	17	electrostatic	electrostatic	ADJ
eurjchem-322	175	18	potential	potential	NOUN
eurjchem-322	175	19	indicating	indicate	VERB
eurjchem-322	175	20	favorable	favorable	ADJ
eurjchem-322	175	21	interaction	interaction	NOUN
eurjchem-322	175	22	energy	energy	NOUN
eurjchem-322	175	23	with	with	ADP
eurjchem-322	175	24	electronic	electronic	ADJ
eurjchem-322	175	25	density	density	NOUN
eurjchem-322	175	26	acceptors	acceptor	NOUN
eurjchem-322	175	27	.	.	PUNCT
eurjchem-322	176	1	it	it	PRON
eurjchem-322	176	2	should	should	AUX
eurjchem-322	176	3	be	be	AUX
eurjchem-322	176	4	noted	note	VERB
eurjchem-322	176	5	that	that	SCONJ
eurjchem-322	176	6	,	,	PUNCT
eurjchem-322	176	7	due	due	ADP
eurjchem-322	176	8	to	to	ADP
eurjchem-322	176	9	differences	difference	NOUN
eurjchem-322	176	10	in	in	ADP
eurjchem-322	176	11	electronegativity	electronegativity	NOUN
eurjchem-322	176	12	between	between	ADP
eurjchem-322	176	13	carbon	carbon	NOUN
eurjchem-322	176	14	and	and	CCONJ
eurjchem-322	176	15	fluorine	fluorine	NOUN
eurjchem-322	176	16	atom	atom	NOUN
eurjchem-322	176	17	,	,	PUNCT
eurjchem-322	176	18	the	the	DET
eurjchem-322	176	19	c2	c2	PROPN
eurjchem-322	176	20	’	'	PUNCT
eurjchem-322	176	21	carbon	carbon	NOUN
eurjchem-322	176	22	atoms	atom	NOUN
eurjchem-322	176	23	assume	assume	VERB
eurjchem-322	176	24	a	a	DET
eurjchem-322	176	25	“	"	PUNCT
eurjchem-322	176	26	partial	partial	ADJ
eurjchem-322	176	27	positive	positive	ADJ
eurjchem-322	176	28	charge	charge	NOUN
eurjchem-322	176	29	”	"	PUNCT
eurjchem-322	176	30	that	that	PRON
eurjchem-322	176	31	contrasts	contrast	VERB
eurjchem-322	176	32	with	with	ADP
eurjchem-322	176	33	the	the	DET
eurjchem-322	176	34	partial	partial	ADJ
eurjchem-322	176	35	negative	negative	ADJ
eurjchem-322	176	36	charge	charge	NOUN
eurjchem-322	176	37	distribution	distribution	NOUN
eurjchem-322	176	38	on	on	ADP
eurjchem-322	176	39	compounds	compound	NOUN
eurjchem-322	176	40	that	that	PRON
eurjchem-322	176	41	do	do	AUX
eurjchem-322	176	42	not	not	PART
eurjchem-322	176	43	have	have	AUX
eurjchem-322	176	44	fluoridated	fluoridate	VERB
eurjchem-322	176	45	substitution	substitution	NOUN
eurjchem-322	176	46	at	at	ADP
eurjchem-322	176	47	that	that	DET
eurjchem-322	176	48	site	site	NOUN
eurjchem-322	176	49	.	.	PUNCT
eurjchem-322	177	1	6	6	NUM
eurjchem-322	177	2	gomes	gome	NOUN
eurjchem-322	177	3	et	et	PROPN
eurjchem-322	177	4	al	al	PROPN
eurjchem-322	177	5	.	.	PUNCT
eurjchem-322	177	6	/	/	SYM
eurjchem-322	177	7	european	european	PROPN
eurjchem-322	177	8	journal	journal	PROPN
eurjchem-322	177	9	of	of	ADP
eurjchem-322	177	10	chemistry	chemistry	NOUN
eurjchem-322	177	11	2	2	NUM
eurjchem-322	177	12	(	(	PUNCT
eurjchem-322	177	13	1	1	NUM
eurjchem-322	177	14	)	)	PUNCT
eurjchem-322	177	15	(	(	PUNCT
eurjchem-322	177	16	2011	2011	NUM
eurjchem-322	177	17	)	)	PUNCT
eurjchem-322	177	18	1‐7	1‐7	NOUN
eurjchem-322	177	19	figure	figure	NOUN
eurjchem-322	177	20	6	6	NUM
eurjchem-322	177	21	.	.	PUNCT
eurjchem-322	178	1	the	the	DET
eurjchem-322	178	2	electrostatic	electrostatic	ADJ
eurjchem-322	178	3	potential	potential	NOUN
eurjchem-322	178	4	(	(	PUNCT
eurjchem-322	178	5	esp	esp	ADJ
eurjchem-322	178	6	)	)	PUNCT
eurjchem-322	178	7	,	,	PUNCT
eurjchem-322	178	8	mapped	map	VERB
eurjchem-322	178	9	on	on	ADP
eurjchem-322	178	10	an	an	DET
eurjchem-322	178	11	electron	electron	NOUN
eurjchem-322	178	12	density	density	NOUN
eurjchem-322	178	13	surface	surface	NOUN
eurjchem-322	178	14	(	(	PUNCT
eurjchem-322	178	15	that	that	PRON
eurjchem-322	178	16	was	be	AUX
eurjchem-322	178	17	given	give	VERB
eurjchem-322	178	18	by	by	ADP
eurjchem-322	178	19	scf	scf	PROPN
eurjchem-322	178	20	)	)	PUNCT
eurjchem-322	178	21	for	for	ADP
eurjchem-322	178	22	2.a	2.a	NUM
eurjchem-322	178	23	(	(	PUNCT
eurjchem-322	178	24	7‐cl‐1‐me‐2'h‐bz	7‐cl‐1‐me‐2'h‐bz	NUM
eurjchem-322	178	25	)	)	PUNCT
eurjchem-322	178	26	and	and	CCONJ
eurjchem-322	178	27	for	for	ADP
eurjchem-322	178	28	2.c	2.c	NUM
eurjchem-322	178	29	,	,	PUNCT
eurjchem-322	178	30	7‐no2‐2’f‐bz	7‐no2‐2’f‐bz	NUM
eurjchem-322	178	31	combined	combine	VERB
eurjchem-322	178	32	with	with	ADP
eurjchem-322	178	33	the	the	DET
eurjchem-322	178	34	receptor	receptor	NOUN
eurjchem-322	178	35	locals	local	NOUN
eurjchem-322	178	36	of	of	ADP
eurjchem-322	178	37	interaction	interaction	NOUN
eurjchem-322	178	38	of	of	ADP
eurjchem-322	178	39	the	the	DET
eurjchem-322	178	40	α1β2γ2	α1β2γ2	ADJ
eurjchem-322	178	41	gabaa	gabaa	NOUN
eurjchem-322	178	42	subtype	subtype	NOUN
eurjchem-322	178	43	as	as	SCONJ
eurjchem-322	178	44	proposed	propose	VERB
eurjchem-322	178	45	by	by	ADP
eurjchem-322	178	46	clayton	clayton	PROPN
eurjchem-322	178	47	and	and	CCONJ
eurjchem-322	178	48	co‐workers	co‐worker	NOUN
eurjchem-322	178	49	[	[	X
eurjchem-322	178	50	23	23	NUM
eurjchem-322	178	51	]	]	PUNCT
eurjchem-322	178	52	.	.	PUNCT
eurjchem-322	179	1	the	the	DET
eurjchem-322	179	2	model	model	NOUN
eurjchem-322	179	3	presents	present	VERB
eurjchem-322	179	4	two	two	NUM
eurjchem-322	179	5	areas	area	NOUN
eurjchem-322	179	6	with	with	ADP
eurjchem-322	179	7	two	two	NUM
eurjchem-322	179	8	electronic	electronic	ADJ
eurjchem-322	179	9	acceptor	acceptor	NOUN
eurjchem-322	179	10	interactions	interaction	NOUN
eurjchem-322	179	11	(	(	PUNCT
eurjchem-322	179	12	h1	h1	NOUN
eurjchem-322	179	13	and	and	CCONJ
eurjchem-322	179	14	h2	h2	NOUN
eurjchem-322	179	15	)	)	PUNCT
eurjchem-322	179	16	three	three	NUM
eurjchem-322	179	17	lipophilic	lipophilic	ADJ
eurjchem-322	179	18	interaction	interaction	NOUN
eurjchem-322	179	19	regions	region	NOUN
eurjchem-322	179	20	(	(	PUNCT
eurjchem-322	179	21	l1	l1	PROPN
eurjchem-322	179	22	,	,	PUNCT
eurjchem-322	179	23	l2	l2	NOUN
eurjchem-322	179	24	,	,	PUNCT
eurjchem-322	179	25	l3	l3	PROPN
eurjchem-322	179	26	)	)	PUNCT
eurjchem-322	179	27	as	as	ADV
eurjchem-322	179	28	well	well	ADV
eurjchem-322	179	29	as	as	ADP
eurjchem-322	179	30	regions	region	NOUN
eurjchem-322	179	31	of	of	ADP
eurjchem-322	179	32	negative	negative	ADJ
eurjchem-322	179	33	steric	steric	ADJ
eurjchem-322	179	34	repulsion(s1	repulsion(s1	NOUN
eurjchem-322	179	35	,	,	PUNCT
eurjchem-322	179	36	s2	s2	NOUN
eurjchem-322	179	37	and	and	CCONJ
eurjchem-322	179	38	s3	s3	PROPN
eurjchem-322	179	39	)	)	PUNCT
eurjchem-322	179	40	.	.	PUNCT
eurjchem-322	180	1	in	in	ADP
eurjchem-322	180	2	recent	recent	ADJ
eurjchem-322	180	3	years	year	NOUN
eurjchem-322	180	4	,	,	PUNCT
eurjchem-322	180	5	a	a	DET
eurjchem-322	180	6	unified	unified	ADJ
eurjchem-322	180	7	model	model	NOUN
eurjchem-322	180	8	of	of	ADP
eurjchem-322	180	9	receptor	receptor	NOUN
eurjchem-322	180	10	/	/	SYM
eurjchem-322	180	11	pharma	pharma	NOUN
eurjchem-322	180	12	cophore	cophore	NOUN
eurjchem-322	180	13	for	for	ADP
eurjchem-322	180	14	agonists	agonist	NOUN
eurjchem-322	180	15	,	,	PUNCT
eurjchem-322	180	16	antagonists	antagonist	NOUN
eurjchem-322	180	17	,	,	PUNCT
eurjchem-322	180	18	and	and	CCONJ
eurjchem-322	180	19	inverse	inverse	ADJ
eurjchem-322	180	20	agonists	agonist	NOUN
eurjchem-322	180	21	of	of	ADP
eurjchem-322	180	22	bzs	bzs	NOUN
eurjchem-322	180	23	site	site	NOUN
eurjchem-322	180	24	on	on	ADP
eurjchem-322	180	25	gabaa	gabaa	NOUN
eurjchem-322	180	26	receptor	receptor	NOUN
eurjchem-322	180	27	has	have	AUX
eurjchem-322	180	28	been	be	AUX
eurjchem-322	180	29	developed	develop	VERB
eurjchem-322	180	30	.	.	PUNCT
eurjchem-322	181	1	this	this	PRON
eurjchem-322	181	2	can	can	AUX
eurjchem-322	181	3	be	be	AUX
eurjchem-322	181	4	achieved	achieve	VERB
eurjchem-322	181	5	by	by	ADP
eurjchem-322	181	6	the	the	DET
eurjchem-322	181	7	combination	combination	NOUN
eurjchem-322	181	8	of	of	ADP
eurjchem-322	181	9	several	several	ADJ
eurjchem-322	181	10	techniques	technique	NOUN
eurjchem-322	181	11	such	such	ADJ
eurjchem-322	181	12	as	as	ADP
eurjchem-322	181	13	synthesis	synthesis	NOUN
eurjchem-322	181	14	of	of	ADP
eurjchem-322	181	15	drugs	drug	NOUN
eurjchem-322	181	16	with	with	ADP
eurjchem-322	181	17	radioisotopic	radioisotopic	ADJ
eurjchem-322	181	18	markers	marker	NOUN
eurjchem-322	181	19	and	and	CCONJ
eurjchem-322	181	20	techniques	technique	NOUN
eurjchem-322	181	21	for	for	ADP
eurjchem-322	181	22	mapping	map	VERB
eurjchem-322	181	23	the	the	DET
eurjchem-322	181	24	receptor	receptor	NOUN
eurjchem-322	181	25	.	.	PUNCT
eurjchem-322	182	1	clayton	clayton	PROPN
eurjchem-322	182	2	et	et	PROPN
eurjchem-322	182	3	al	al	PROPN
eurjchem-322	182	4	.	.	PUNCT
eurjchem-322	183	1	[	[	X
eurjchem-322	183	2	23	23	NUM
eurjchem-322	183	3	]	]	PUNCT
eurjchem-322	183	4	in	in	ADP
eurjchem-322	183	5	2007	2007	NUM
eurjchem-322	183	6	proposed	propose	VERB
eurjchem-322	183	7	a	a	DET
eurjchem-322	183	8	base	base	NOUN
eurjchem-322	183	9	model	model	NOUN
eurjchem-322	183	10	for	for	ADP
eurjchem-322	183	11	the	the	DET
eurjchem-322	183	12	binding	bind	VERB
eurjchem-322	183	13	receptor/	receptor/	NUM
eurjchem-322	183	14	pharmacophore	pharmacophore	NOUN
eurjchem-322	183	15	at	at	ADP
eurjchem-322	183	16	the	the	DET
eurjchem-322	183	17	α1β2γ2	α1β2γ2	ADJ
eurjchem-322	183	18	gabaa	gabaa	NOUN
eurjchem-322	183	19	receptor	receptor	NOUN
eurjchem-322	183	20	subtype	subtype	NOUN
eurjchem-322	183	21	that	that	PRON
eurjchem-322	183	22	is	be	AUX
eurjchem-322	183	23	depicted	depict	VERB
eurjchem-322	183	24	in	in	ADP
eurjchem-322	183	25	figure	figure	NOUN
eurjchem-322	183	26	6	6	NUM
eurjchem-322	183	27	.	.	PUNCT
eurjchem-322	184	1	according	accord	VERB
eurjchem-322	184	2	to	to	ADP
eurjchem-322	184	3	the	the	DET
eurjchem-322	184	4	author	author	NOUN
eurjchem-322	184	5	the	the	DET
eurjchem-322	184	6	model	model	NOUN
eurjchem-322	184	7	consists	consist	VERB
eurjchem-322	184	8	of	of	ADP
eurjchem-322	184	9	two	two	NUM
eurjchem-322	184	10	domains	domain	NOUN
eurjchem-322	184	11	with	with	ADP
eurjchem-322	184	12	acceptor	acceptor	NOUN
eurjchem-322	184	13	(	(	PUNCT
eurjchem-322	184	14	h1	h1	PROPN
eurjchem-322	184	15	and	and	CCONJ
eurjchem-322	184	16	h2	h2	NOUN
eurjchem-322	184	17	)	)	PUNCT
eurjchem-322	184	18	.	.	PUNCT
eurjchem-322	185	1	in	in	ADP
eurjchem-322	185	2	addition	addition	NOUN
eurjchem-322	185	3	to	to	ADP
eurjchem-322	185	4	these	these	DET
eurjchem-322	185	5	areas	area	NOUN
eurjchem-322	185	6	of	of	ADP
eurjchem-322	185	7	connection	connection	NOUN
eurjchem-322	185	8	,	,	PUNCT
eurjchem-322	185	9	there	there	PRON
eurjchem-322	185	10	are	be	VERB
eurjchem-322	185	11	three	three	NUM
eurjchem-322	185	12	regions	region	NOUN
eurjchem-322	185	13	of	of	ADP
eurjchem-322	185	14	lipophilic	lipophilic	ADJ
eurjchem-322	185	15	interaction	interaction	NOUN
eurjchem-322	185	16	(	(	PUNCT
eurjchem-322	185	17	l1	l1	PROPN
eurjchem-322	185	18	,	,	PUNCT
eurjchem-322	185	19	l2	l2	NOUN
eurjchem-322	185	20	and	and	CCONJ
eurjchem-322	185	21	l3	l3	NOUN
eurjchem-322	185	22	)	)	PUNCT
eurjchem-322	185	23	as	as	ADV
eurjchem-322	185	24	well	well	ADV
eurjchem-322	185	25	as	as	ADP
eurjchem-322	185	26	regions	region	NOUN
eurjchem-322	185	27	of	of	ADP
eurjchem-322	185	28	negative	negative	ADJ
eurjchem-322	185	29	steric	steric	ADJ
eurjchem-322	185	30	repulsion	repulsion	NOUN
eurjchem-322	185	31	(	(	PUNCT
eurjchem-322	185	32	s1	s1	NOUN
eurjchem-322	185	33	,	,	PUNCT
eurjchem-322	185	34	s2	s2	NOUN
eurjchem-322	185	35	and	and	CCONJ
eurjchem-322	185	36	s3	s3	PROPN
eurjchem-322	185	37	)	)	PUNCT
eurjchem-322	185	38	.	.	PUNCT
eurjchem-322	186	1	in	in	ADP
eurjchem-322	186	2	the	the	DET
eurjchem-322	186	3	same	same	ADJ
eurjchem-322	186	4	figure	figure	NOUN
eurjchem-322	186	5	the	the	DET
eurjchem-322	186	6	receptor/	receptor/	NUM
eurjchem-322	186	7	pharmacophore	pharmacophore	NOUN
eurjchem-322	186	8	model	model	NOUN
eurjchem-322	186	9	is	be	AUX
eurjchem-322	186	10	overlapped	overlap	VERB
eurjchem-322	186	11	with	with	ADP
eurjchem-322	186	12	the	the	DET
eurjchem-322	186	13	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	186	14	studied	study	VERB
eurjchem-322	186	15	in	in	ADP
eurjchem-322	186	16	this	this	DET
eurjchem-322	186	17	work	work	NOUN
eurjchem-322	186	18	shown	show	VERB
eurjchem-322	186	19	as	as	ADP
eurjchem-322	186	20	esp	esp	ADJ
eurjchem-322	186	21	mapped	map	VERB
eurjchem-322	186	22	density	density	NOUN
eurjchem-322	186	23	surfaces	surface	NOUN
eurjchem-322	186	24	.	.	PUNCT
eurjchem-322	187	1	as	as	SCONJ
eurjchem-322	187	2	mentioned	mention	VERB
eurjchem-322	187	3	before	before	ADV
eurjchem-322	187	4	,	,	PUNCT
eurjchem-322	187	5	the	the	DET
eurjchem-322	187	6	main	main	ADJ
eurjchem-322	187	7	structural	structural	ADJ
eurjchem-322	187	8	differences	difference	NOUN
eurjchem-322	187	9	between	between	ADP
eurjchem-322	187	10	the	the	DET
eurjchem-322	187	11	bzs	bzs	NOUN
eurjchem-322	187	12	presented	present	VERB
eurjchem-322	187	13	in	in	ADP
eurjchem-322	187	14	this	this	DET
eurjchem-322	187	15	study	study	NOUN
eurjchem-322	187	16	concerns	concern	NOUN
eurjchem-322	187	17	c7	c7	PROPN
eurjchem-322	187	18	(	(	PUNCT
eurjchem-322	187	19	either	either	CCONJ
eurjchem-322	187	20	–	–	PUNCT
eurjchem-322	187	21	no2	no2	NOUN
eurjchem-322	187	22	or	or	CCONJ
eurjchem-322	187	23	–	–	PUNCT
eurjchem-322	187	24	cl	cl	NOUN
eurjchem-322	187	25	)	)	PUNCT
eurjchem-322	187	26	and	and	CCONJ
eurjchem-322	187	27	c2	c2	PROPN
eurjchem-322	187	28	’	'	PUNCT
eurjchem-322	187	29	substituents	substituent	NOUN
eurjchem-322	187	30	(	(	PUNCT
eurjchem-322	187	31	which	which	PRON
eurjchem-322	187	32	may	may	AUX
eurjchem-322	187	33	be	be	AUX
eurjchem-322	187	34	–	–	PUNCT
eurjchem-322	187	35	h	h	NOUN
eurjchem-322	187	36	,	,	PUNCT
eurjchem-322	187	37	–	–	PUNCT
eurjchem-322	187	38	cl	cl	NOUN
eurjchem-322	187	39	or	or	CCONJ
eurjchem-322	187	40	–	–	PUNCT
eurjchem-322	187	41	f	f	NOUN
eurjchem-322	187	42	)	)	PUNCT
eurjchem-322	187	43	.	.	PUNCT
eurjchem-322	188	1	the	the	DET
eurjchem-322	188	2	substituent	substituent	NOUN
eurjchem-322	188	3	at	at	ADP
eurjchem-322	188	4	c7	c7	PROPN
eurjchem-322	188	5	position	position	NOUN
eurjchem-322	188	6	interacts	interact	VERB
eurjchem-322	188	7	with	with	ADP
eurjchem-322	188	8	a	a	DET
eurjchem-322	188	9	lipophilic	lipophilic	ADJ
eurjchem-322	188	10	region	region	NOUN
eurjchem-322	188	11	of	of	ADP
eurjchem-322	188	12	the	the	DET
eurjchem-322	188	13	receptor	receptor	NOUN
eurjchem-322	188	14	by	by	ADP
eurjchem-322	188	15	the	the	DET
eurjchem-322	188	16	proximity	proximity	NOUN
eurjchem-322	188	17	of	of	ADP
eurjchem-322	188	18	residues	residue	NOUN
eurjchem-322	188	19	of	of	ADP
eurjchem-322	188	20	valine	valine	NOUN
eurjchem-322	188	21	and	and	CCONJ
eurjchem-322	188	22	glycine	glycine	NOUN
eurjchem-322	188	23	.	.	PUNCT
eurjchem-322	189	1	the	the	DET
eurjchem-322	189	2	–	–	PUNCT
eurjchem-322	189	3	cl	cl	NOUN
eurjchem-322	189	4	substituent	substituent	NOUN
eurjchem-322	189	5	is	be	AUX
eurjchem-322	189	6	reasonably	reasonably	ADV
eurjchem-322	189	7	lipophilic	lipophilic	ADJ
eurjchem-322	189	8	and	and	CCONJ
eurjchem-322	189	9	more	more	ADJ
eurjchem-322	189	10	lipophilic	lipophilic	ADJ
eurjchem-322	189	11	than	than	ADP
eurjchem-322	189	12	–	–	PUNCT
eurjchem-322	189	13	no2	no2	NOUN
eurjchem-322	189	14	(	(	PUNCT
eurjchem-322	189	15	judging	judge	VERB
eurjchem-322	189	16	by	by	ADP
eurjchem-322	189	17	the	the	DET
eurjchem-322	189	18	π	π	PROPN
eurjchem-322	189	19	(	(	PUNCT
eurjchem-322	189	20	aromatic	aromatic	NOUN
eurjchem-322	189	21	)	)	PUNCT
eurjchem-322	189	22	hydrophobic	hydrophobic	NOUN
eurjchem-322	189	23	descriptor	descriptor	NOUN
eurjchem-322	189	24	which	which	PRON
eurjchem-322	189	25	is	be	AUX
eurjchem-322	189	26	0.71	0.71	NUM
eurjchem-322	189	27	for	for	ADP
eurjchem-322	189	28	–	–	PUNCT
eurjchem-322	189	29	cl	cl	NOUN
eurjchem-322	189	30	and	and	CCONJ
eurjchem-322	189	31	–	–	PUNCT
eurjchem-322	189	32	0.28	0.28	NUM
eurjchem-322	189	33	for	for	ADP
eurjchem-322	189	34	–	–	PUNCT
eurjchem-322	189	35	no2	no2	NOUN
eurjchem-322	189	36	)	)	PUNCT
eurjchem-322	189	37	,	,	PUNCT
eurjchem-322	189	38	the	the	DET
eurjchem-322	189	39	latter	latter	ADJ
eurjchem-322	189	40	being	be	AUX
eurjchem-322	189	41	more	more	ADV
eurjchem-322	189	42	hydrophilic	hydrophilic	ADJ
eurjchem-322	189	43	[	[	X
eurjchem-322	189	44	24	24	NUM
eurjchem-322	189	45	]	]	PUNCT
eurjchem-322	189	46	.	.	PUNCT
eurjchem-322	190	1	this	this	PRON
eurjchem-322	190	2	suggests	suggest	VERB
eurjchem-322	190	3	that	that	SCONJ
eurjchem-322	190	4	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	190	5	belonging	belong	VERB
eurjchem-322	190	6	to	to	ADP
eurjchem-322	190	7	g1	g1	VERB
eurjchem-322	190	8	present	present	ADJ
eurjchem-322	190	9	a	a	DET
eurjchem-322	190	10	more	more	ADV
eurjchem-322	190	11	favorable	favorable	ADJ
eurjchem-322	190	12	interaction	interaction	NOUN
eurjchem-322	190	13	at	at	ADP
eurjchem-322	190	14	this	this	DET
eurjchem-322	190	15	site	site	NOUN
eurjchem-322	190	16	than	than	ADP
eurjchem-322	190	17	those	those	PRON
eurjchem-322	190	18	from	from	ADP
eurjchem-322	190	19	g2	g2	PROPN
eurjchem-322	190	20	.	.	PUNCT
eurjchem-322	191	1	the	the	DET
eurjchem-322	191	2	electron	electron	NOUN
eurjchem-322	191	3	acceptor	acceptor	NOUN
eurjchem-322	191	4	interaction	interaction	NOUN
eurjchem-322	191	5	in	in	ADP
eurjchem-322	191	6	the	the	DET
eurjchem-322	191	7	h2	h2	NOUN
eurjchem-322	191	8	region	region	NOUN
eurjchem-322	191	9	is	be	AUX
eurjchem-322	191	10	well	well	ADV
eurjchem-322	191	11	illustrated	illustrate	VERB
eurjchem-322	191	12	by	by	ADP
eurjchem-322	191	13	the	the	DET
eurjchem-322	191	14	quantitative	quantitative	ADJ
eurjchem-322	191	15	study	study	NOUN
eurjchem-322	191	16	made	make	VERB
eurjchem-322	191	17	here	here	ADV
eurjchem-322	191	18	.	.	PUNCT
eurjchem-322	192	1	as	as	SCONJ
eurjchem-322	192	2	shown	show	VERB
eurjchem-322	192	3	in	in	ADP
eurjchem-322	192	4	figure	figure	NOUN
eurjchem-322	192	5	6	6	NUM
eurjchem-322	192	6	,	,	PUNCT
eurjchem-322	192	7	the	the	DET
eurjchem-322	192	8	presence	presence	NOUN
eurjchem-322	192	9	of	of	ADP
eurjchem-322	192	10	the	the	DET
eurjchem-322	192	11	highly	highly	ADV
eurjchem-322	192	12	polarized	polarize	VERB
eurjchem-322	192	13	c2’–f	c2’–f	NOUN
eurjchem-322	192	14	aromatic	aromatic	ADJ
eurjchem-322	192	15	residue	residue	NOUN
eurjchem-322	192	16	may	may	AUX
eurjchem-322	192	17	provide	provide	VERB
eurjchem-322	192	18	another	another	DET
eurjchem-322	192	19	binding	binding	NOUN
eurjchem-322	192	20	to	to	ADP
eurjchem-322	192	21	h2	h2	PROPN
eurjchem-322	192	22	local	local	ADJ
eurjchem-322	192	23	besides	besides	SCONJ
eurjchem-322	192	24	the	the	DET
eurjchem-322	192	25	unpaired	unpaired	ADJ
eurjchem-322	192	26	electrons	electron	NOUN
eurjchem-322	192	27	of	of	ADP
eurjchem-322	192	28	imine	imine	ADJ
eurjchem-322	192	29	n4	n4	PROPN
eurjchem-322	192	30	.	.	PUNCT
eurjchem-322	193	1	in	in	ADP
eurjchem-322	193	2	fact	fact	NOUN
eurjchem-322	193	3	,	,	PUNCT
eurjchem-322	193	4	monosubstitution	monosubstitution	NOUN
eurjchem-322	193	5	of	of	ADP
eurjchem-322	193	6	fluorine	fluorine	NOUN
eurjchem-322	193	7	in	in	ADP
eurjchem-322	193	8	aromatic	aromatic	ADJ
eurjchem-322	193	9	groups	group	NOUN
eurjchem-322	193	10	in	in	ADP
eurjchem-322	193	11	drugs	drug	NOUN
eurjchem-322	193	12	can	can	AUX
eurjchem-322	193	13	lead	lead	VERB
eurjchem-322	193	14	to	to	ADP
eurjchem-322	193	15	increased	increase	VERB
eurjchem-322	193	16	protein	protein	NOUN
eurjchem-322	193	17	binding	bind	VERB
eurjchem-322	193	18	.	.	PUNCT
eurjchem-322	194	1	razgulin	razgulin	PROPN
eurjchem-322	194	2	and	and	CCONJ
eurjchem-322	194	3	mecozzi	mecozzi	ADV
eurjchem-322	194	4	,	,	PUNCT
eurjchem-322	194	5	have	have	AUX
eurjchem-322	194	6	highlighted	highlight	VERB
eurjchem-322	194	7	,	,	PUNCT
eurjchem-322	194	8	through	through	ADP
eurjchem-322	194	9	quantitative	quantitative	ADJ
eurjchem-322	194	10	computational	computational	ADJ
eurjchem-322	194	11	chemistry	chemistry	NOUN
eurjchem-322	194	12	calculations	calculation	NOUN
eurjchem-322	194	13	,	,	PUNCT
eurjchem-322	194	14	the	the	DET
eurjchem-322	194	15	role	role	NOUN
eurjchem-322	194	16	of	of	ADP
eurjchem-322	194	17	carbon	carbon	NOUN
eurjchem-322	194	18	bonding	bonding	NOUN
eurjchem-322	194	19	to	to	ADP
eurjchem-322	194	20	the	the	DET
eurjchem-322	194	21	aromatic	aromatic	ADJ
eurjchem-322	194	22	substituent	substituent	NOUN
eurjchem-322	194	23	fluorine	fluorine	NOUN
eurjchem-322	194	24	and	and	CCONJ
eurjchem-322	194	25	its	its	PRON
eurjchem-322	194	26	influence	influence	NOUN
eurjchem-322	194	27	on	on	ADP
eurjchem-322	194	28	intermolecular	intermolecular	ADJ
eurjchem-322	194	29	interactions	interaction	NOUN
eurjchem-322	194	30	.	.	PUNCT
eurjchem-322	195	1	in	in	ADP
eurjchem-322	195	2	their	their	PRON
eurjchem-322	195	3	study	study	NOUN
eurjchem-322	195	4	,	,	PUNCT
eurjchem-322	195	5	a	a	DET
eurjchem-322	195	6	series	series	NOUN
eurjchem-322	195	7	of	of	ADP
eurjchem-322	195	8	representative	representative	ADJ
eurjchem-322	195	9	compounds	compound	NOUN
eurjchem-322	195	10	with	with	ADP
eurjchem-322	195	11	medical	medical	ADJ
eurjchem-322	195	12	interest	interest	NOUN
eurjchem-322	195	13	were	be	AUX
eurjchem-322	195	14	used	use	VERB
eurjchem-322	195	15	in	in	ADP
eurjchem-322	195	16	which	which	PRON
eurjchem-322	195	17	several	several	ADJ
eurjchem-322	195	18	aromatic	aromatic	ADJ
eurjchem-322	195	19	c‐h	c‐h	PROPN
eurjchem-322	195	20	bonds	bond	NOUN
eurjchem-322	195	21	were	be	AUX
eurjchem-322	195	22	replaced	replace	VERB
eurjchem-322	195	23	by	by	ADP
eurjchem-322	195	24	their	their	PRON
eurjchem-322	195	25	fluoro	fluoro	NOUN
eurjchem-322	195	26	aromatic	aromatic	ADJ
eurjchem-322	195	27	like	like	ADP
eurjchem-322	195	28	compounds	compound	NOUN
eurjchem-322	195	29	.	.	PUNCT
eurjchem-322	196	1	these	these	DET
eurjchem-322	196	2	studies	study	NOUN
eurjchem-322	196	3	demonstrate	demonstrate	VERB
eurjchem-322	196	4	that	that	SCONJ
eurjchem-322	196	5	the	the	DET
eurjchem-322	196	6	binding	binding	NOUN
eurjchem-322	196	7	of	of	ADP
eurjchem-322	196	8	aromatic	aromatic	ADJ
eurjchem-322	196	9	carbon	carbon	NOUN
eurjchem-322	196	10	to	to	ADP
eurjchem-322	196	11	fluorine	fluorine	NOUN
eurjchem-322	196	12	can	can	AUX
eurjchem-322	196	13	participate	participate	VERB
eurjchem-322	196	14	in	in	ADP
eurjchem-322	196	15	the	the	DET
eurjchem-322	196	16	formation	formation	NOUN
eurjchem-322	196	17	of	of	ADP
eurjchem-322	196	18	hydrogen	hydrogen	NOUN
eurjchem-322	196	19	bonds	bond	NOUN
eurjchem-322	196	20	and	and	CCONJ
eurjchem-322	196	21	can	can	AUX
eurjchem-322	196	22	also	also	ADV
eurjchem-322	196	23	interact	interact	VERB
eurjchem-322	196	24	strongly	strongly	ADV
eurjchem-322	196	25	with	with	ADP
eurjchem-322	196	26	positively	positively	ADV
eurjchem-322	196	27	charged	charge	VERB
eurjchem-322	196	28	molecules	molecule	NOUN
eurjchem-322	196	29	[	[	X
eurjchem-322	196	30	22	22	NUM
eurjchem-322	196	31	]	]	PUNCT
eurjchem-322	196	32	.	.	PUNCT
eurjchem-322	197	1	4	4	X
eurjchem-322	197	2	.	.	X
eurjchem-322	197	3	conclusion	conclusion	VERB
eurjchem-322	197	4	the	the	DET
eurjchem-322	197	5	analysis	analysis	NOUN
eurjchem-322	197	6	of	of	ADP
eurjchem-322	197	7	the	the	DET
eurjchem-322	197	8	results	result	NOUN
eurjchem-322	197	9	obtained	obtain	VERB
eurjchem-322	197	10	in	in	ADP
eurjchem-322	197	11	this	this	DET
eurjchem-322	197	12	work	work	NOUN
eurjchem-322	197	13	lead	lead	NOUN
eurjchem-322	197	14	to	to	ADP
eurjchem-322	197	15	the	the	DET
eurjchem-322	197	16	conclusion	conclusion	NOUN
eurjchem-322	197	17	that	that	SCONJ
eurjchem-322	197	18	,	,	PUNCT
eurjchem-322	197	19	of	of	ADP
eurjchem-322	197	20	the	the	DET
eurjchem-322	197	21	set	set	NOUN
eurjchem-322	197	22	of	of	ADP
eurjchem-322	197	23	compounds	compound	NOUN
eurjchem-322	197	24	studied	study	VERB
eurjchem-322	197	25	,	,	PUNCT
eurjchem-322	197	26	1.a	1.a	NUM
eurjchem-322	197	27	(	(	PUNCT
eurjchem-322	197	28	and	and	CCONJ
eurjchem-322	197	29	their	their	PRON
eurjchem-322	197	30	active	active	ADJ
eurjchem-322	197	31	metabolites	metabolite	NOUN
eurjchem-322	197	32	1.c	1.c	NUM
eurjchem-322	197	33	and	and	CCONJ
eurjchem-322	197	34	1.d	1.d	NUM
eurjchem-322	197	35	)	)	PUNCT
eurjchem-322	197	36	are	be	AUX
eurjchem-322	197	37	the	the	DET
eurjchem-322	197	38	bzs	bzs	NOUN
eurjchem-322	197	39	with	with	ADP
eurjchem-322	197	40	the	the	DET
eurjchem-322	197	41	best	good	ADJ
eurjchem-322	197	42	electronic	electronic	ADJ
eurjchem-322	197	43	characteristics	characteristic	NOUN
eurjchem-322	197	44	for	for	ADP
eurjchem-322	197	45	interaction	interaction	NOUN
eurjchem-322	197	46	with	with	ADP
eurjchem-322	197	47	the	the	DET
eurjchem-322	197	48	receptor	receptor	NOUN
eurjchem-322	197	49	presented	present	VERB
eurjchem-322	197	50	here	here	ADV
eurjchem-322	197	51	.	.	PUNCT
eurjchem-322	198	1	since	since	SCONJ
eurjchem-322	198	2	the	the	DET
eurjchem-322	198	3	model	model	NOUN
eurjchem-322	198	4	refers	refer	VERB
eurjchem-322	198	5	to	to	ADP
eurjchem-322	198	6	the	the	DET
eurjchem-322	198	7	α1β2γ2	α1β2γ2	NOUN
eurjchem-322	198	8	sub‐type	sub‐type	NOUN
eurjchem-322	198	9	whose	whose	DET
eurjchem-322	198	10	main	main	ADJ
eurjchem-322	198	11	effects	effect	NOUN
eurjchem-322	198	12	are	be	AUX
eurjchem-322	198	13	sedation	sedation	NOUN
eurjchem-322	198	14	,	,	PUNCT
eurjchem-322	198	15	ataxia	ataxia	NOUN
eurjchem-322	198	16	and	and	CCONJ
eurjchem-322	198	17	anterograde	anterograde	ADJ
eurjchem-322	198	18	amnesia	amnesia	NOUN
eurjchem-322	199	1	[	[	X
eurjchem-322	199	2	11,12	11,12	NUM
eurjchem-322	199	3	]	]	X
eurjchem-322	199	4	drugs	drug	NOUN
eurjchem-322	199	5	belonging	belong	VERB
eurjchem-322	199	6	to	to	ADP
eurjchem-322	199	7	g1	g1	PROPN
eurjchem-322	199	8	,	,	PUNCT
eurjchem-322	199	9	with	with	ADP
eurjchem-322	199	10	exception	exception	NOUN
eurjchem-322	199	11	of	of	ADP
eurjchem-322	199	12	1.a	1.a	NUM
eurjchem-322	199	13	,	,	PUNCT
eurjchem-322	199	14	presents	present	VERB
eurjchem-322	199	15	more	more	ADJ
eurjchem-322	199	16	pronounced	pronounced	ADJ
eurjchem-322	199	17	effects	effect	NOUN
eurjchem-322	199	18	on	on	ADP
eurjchem-322	199	19	sedation	sedation	NOUN
eurjchem-322	199	20	[	[	X
eurjchem-322	199	21	9	9	NUM
eurjchem-322	199	22	]	]	PUNCT
eurjchem-322	199	23	and	and	CCONJ
eurjchem-322	199	24	side‐	side‐	PROPN
eurjchem-322	199	25	effects	effect	NOUN
eurjchem-322	199	26	as	as	ADP
eurjchem-322	199	27	hypnotic	hypnotic	ADJ
eurjchem-322	199	28	,	,	PUNCT
eurjchem-322	199	29	anxiolitic	anxiolitic	ADJ
eurjchem-322	199	30	and	and	CCONJ
eurjchem-322	199	31	myorelaxants	myorelaxant	NOUN
eurjchem-322	199	32	.	.	PUNCT
eurjchem-322	200	1	in	in	ADP
eurjchem-322	200	2	fact	fact	NOUN
eurjchem-322	200	3	,	,	PUNCT
eurjchem-322	200	4	with	with	ADP
eurjchem-322	200	5	regard	regard	NOUN
eurjchem-322	200	6	to	to	ADP
eurjchem-322	200	7	their	their	PRON
eurjchem-322	200	8	primary	primary	ADJ
eurjchem-322	200	9	pharmacological	pharmacological	NOUN
eurjchem-322	200	10	action	action	NOUN
eurjchem-322	200	11	diazepam	diazepam	NOUN
eurjchem-322	200	12	1.a	1.a	NUM
eurjchem-322	200	13	has	have	VERB
eurjchem-322	200	14	a	a	DET
eurjchem-322	200	15	markedly	markedly	ADV
eurjchem-322	200	16	anxiolytic	anxiolytic	ADJ
eurjchem-322	200	17	action	action	NOUN
eurjchem-322	200	18	,	,	PUNCT
eurjchem-322	200	19	being	be	AUX
eurjchem-322	200	20	a	a	DET
eurjchem-322	200	21	full	full	ADJ
eurjchem-322	200	22	agonist	agonist	NOUN
eurjchem-322	200	23	of	of	ADP
eurjchem-322	200	24	bzs	bzs	NOUN
eurjchem-322	200	25	receptors	receptor	NOUN
eurjchem-322	200	26	,	,	PUNCT
eurjchem-322	200	27	while	while	SCONJ
eurjchem-322	200	28	flurazepam	flurazepam	VERB
eurjchem-322	200	29	1.b	1.b	NUM
eurjchem-322	200	30	has	have	VERB
eurjchem-322	200	31	a	a	DET
eurjchem-322	200	32	hypnotic	hypnotic	ADJ
eurjchem-322	200	33	action	action	NOUN
eurjchem-322	200	34	[	[	X
eurjchem-322	200	35	25,26	25,26	X
eurjchem-322	200	36	]	]	X
eurjchem-322	200	37	.	.	PUNCT
eurjchem-322	201	1	in	in	ADP
eurjchem-322	201	2	the	the	DET
eurjchem-322	201	3	group	group	NOUN
eurjchem-322	201	4	of	of	ADP
eurjchem-322	201	5	7	7	NUM
eurjchem-322	201	6	–	–	PUNCT
eurjchem-322	201	7	no2	no2	NOUN
eurjchem-322	201	8	–	–	PUNCT
eurjchem-322	201	9	benzodiazepines	benzodiazepine	VERB
eurjchem-322	201	10	the	the	DET
eurjchem-322	201	11	pharmacological	pharmacological	ADJ
eurjchem-322	201	12	effects	effect	NOUN
eurjchem-322	201	13	are	be	AUX
eurjchem-322	201	14	more	more	ADV
eurjchem-322	201	15	dispersed	disperse	VERB
eurjchem-322	201	16	:	:	PUNCT
eurjchem-322	201	17	nitrazepam	nitrazepam	NOUN
eurjchem-322	201	18	acts	act	VERB
eurjchem-322	201	19	as	as	ADP
eurjchem-322	201	20	the	the	DET
eurjchem-322	201	21	anti‐	anti‐	PROPN
eurjchem-322	201	22	convulsant	convulsant	PROPN
eurjchem-322	201	23	,	,	PUNCT
eurjchem-322	201	24	clonazepam	clonazepam	PROPN
eurjchem-322	201	25	as	as	ADP
eurjchem-322	201	26	antiepileptic	antiepileptic	ADJ
eurjchem-322	201	27	[	[	X
eurjchem-322	201	28	27	27	NUM
eurjchem-322	201	29	]	]	PUNCT
eurjchem-322	201	30	and	and	CCONJ
eurjchem-322	201	31	is	be	AUX
eurjchem-322	201	32	used	use	VERB
eurjchem-322	201	33	as	as	ADP
eurjchem-322	201	34	an	an	DET
eurjchem-322	201	35	aid	aid	NOUN
eurjchem-322	201	36	on	on	ADP
eurjchem-322	201	37	treatment	treatment	NOUN
eurjchem-322	201	38	of	of	ADP
eurjchem-322	201	39	depressive	depressive	ADJ
eurjchem-322	201	40	disorders	disorder	NOUN
eurjchem-322	201	41	[	[	X
eurjchem-322	201	42	28	28	NUM
eurjchem-322	201	43	]	]	PUNCT
eurjchem-322	201	44	.	.	PUNCT
eurjchem-322	202	1	nevertheless	nevertheless	ADV
eurjchem-322	202	2	compounds	compound	VERB
eurjchem-322	202	3	with	with	ADP
eurjchem-322	202	4	c2’–f	c2’–f	NOUN
eurjchem-322	202	5	substitution	substitution	NOUN
eurjchem-322	202	6	such	such	ADJ
eurjchem-322	202	7	as	as	ADP
eurjchem-322	202	8	flurazepam	flurazepam	NOUN
eurjchem-322	202	9	[	[	X
eurjchem-322	202	10	26	26	NUM
eurjchem-322	202	11	]	]	PUNCT
eurjchem-322	202	12	1.b	1.b	NUM
eurjchem-322	202	13	and	and	CCONJ
eurjchem-322	202	14	flunitrazepam	flunitrazepam	NOUN
eurjchem-322	202	15	[	[	X
eurjchem-322	202	16	29	29	NUM
eurjchem-322	202	17	]	]	SYM
eurjchem-322	202	18	2.b	2.b	NUM
eurjchem-322	202	19	are	be	AUX
eurjchem-322	202	20	mainly	mainly	ADV
eurjchem-322	202	21	hypnotic‐sedatives	hypnotic‐sedative	NOUN
eurjchem-322	202	22	.	.	PUNCT
eurjchem-322	203	1	the	the	DET
eurjchem-322	203	2	compounds	compound	NOUN
eurjchem-322	203	3	with	with	ADP
eurjchem-322	203	4	–	–	PUNCT
eurjchem-322	203	5	no2	no2	NOUN
eurjchem-322	203	6	groups	group	NOUN
eurjchem-322	203	7	on	on	ADP
eurjchem-322	203	8	c7	c7	PROPN
eurjchem-322	203	9	and	and	CCONJ
eurjchem-322	203	10	–	–	PUNCT
eurjchem-322	203	11	cl	cl	NOUN
eurjchem-322	203	12	at	at	ADP
eurjchem-322	203	13	c2	c2	PROPN
eurjchem-322	203	14	’	'	PUNCT
eurjchem-322	203	15	present	present	ADJ
eurjchem-322	203	16	anticonvulsant	anticonvulsant	ADJ
eurjchem-322	203	17	activities	activity	NOUN
eurjchem-322	203	18	and	and	CCONJ
eurjchem-322	203	19	may	may	AUX
eurjchem-322	203	20	have	have	VERB
eurjchem-322	203	21	more	more	ADJ
eurjchem-322	203	22	affinity	affinity	NOUN
eurjchem-322	203	23	for	for	ADP
eurjchem-322	203	24	another	another	DET
eurjchem-322	203	25	subtype	subtype	NOUN
eurjchem-322	203	26	receptor	receptor	NOUN
eurjchem-322	203	27	,	,	PUNCT
eurjchem-322	203	28	such	such	ADJ
eurjchem-322	203	29	as	as	ADP
eurjchem-322	203	30	the	the	DET
eurjchem-322	203	31	α3β2γ2	α3β2γ2	PROPN
eurjchem-322	203	32	receptor	receptor	NOUN
eurjchem-322	203	33	[	[	X
eurjchem-322	203	34	8,10,30	8,10,30	PROPN
eurjchem-322	203	35	]	]	PUNCT
eurjchem-322	203	36	.	.	PUNCT
eurjchem-322	204	1	this	this	DET
eurjchem-322	204	2	study	study	NOUN
eurjchem-322	204	3	contributes	contribute	VERB
eurjchem-322	204	4	,	,	PUNCT
eurjchem-322	204	5	with	with	ADP
eurjchem-322	204	6	relevant	relevant	ADJ
eurjchem-322	204	7	data	datum	NOUN
eurjchem-322	204	8	,	,	PUNCT
eurjchem-322	204	9	to	to	ADP
eurjchem-322	204	10	the	the	DET
eurjchem-322	204	11	systematic	systematic	ADJ
eurjchem-322	204	12	three‐dimensional	three‐dimensional	ADJ
eurjchem-322	204	13	quantitative	quantitative	ADJ
eurjchem-322	204	14	relations	relation	NOUN
eurjchem-322	204	15	between	between	ADP
eurjchem-322	204	16	molecular	molecular	ADJ
eurjchem-322	204	17	properties	property	NOUN
eurjchem-322	204	18	and	and	CCONJ
eurjchem-322	204	19	their	their	PRON
eurjchem-322	204	20	biological	biological	ADJ
eurjchem-322	204	21	activity	activity	NOUN
eurjchem-322	204	22	(	(	PUNCT
eurjchem-322	204	23	3d‐qsar	3d‐qsar	NUM
eurjchem-322	204	24	relationships	relationship	NOUN
eurjchem-322	204	25	)	)	PUNCT
eurjchem-322	204	26	and	and	CCONJ
eurjchem-322	204	27	aids	aid	VERB
eurjchem-322	204	28	the	the	DET
eurjchem-322	204	29	understanding	understanding	NOUN
eurjchem-322	204	30	of	of	ADP
eurjchem-322	204	31	structural	structural	ADJ
eurjchem-322	204	32	mechanisms	mechanism	NOUN
eurjchem-322	204	33	of	of	ADP
eurjchem-322	204	34	benzodiazepine	benzodiazepine	NOUN
eurjchem-322	204	35	modulation	modulation	NOUN
eurjchem-322	204	36	at	at	ADP
eurjchem-322	204	37	the	the	DET
eurjchem-322	204	38	gaba	gaba	NOUN
eurjchem-322	204	39	receptors	receptor	NOUN
eurjchem-322	204	40	[	[	X
eurjchem-322	204	41	31	31	NUM
eurjchem-322	204	42	]	]	PUNCT
eurjchem-322	204	43	.	.	PUNCT
eurjchem-322	205	1	acknowledgement	acknowledgement	NOUN
eurjchem-322	205	2	thanks	thank	NOUN
eurjchem-322	205	3	are	be	AUX
eurjchem-322	205	4	due	due	ADJ
eurjchem-322	205	5	to	to	PART
eurjchem-322	205	6	fundação	fundação	ADJ
eurjchem-322	205	7	para	para	NOUN
eurjchem-322	205	8	o	o	PROPN
eurjchem-322	205	9	ensino	ensino	PROPN
eurjchem-322	205	10	e	e	PROPN
eurjchem-322	205	11	cultura	cultura	PROPN
eurjchem-322	205	12	fernando	fernando	PROPN
eurjchem-322	205	13	pessoa	pessoa	PROPN
eurjchem-322	205	14	for	for	ADP
eurjchem-322	205	15	financial	financial	ADJ
eurjchem-322	205	16	support	support	NOUN
eurjchem-322	205	17	.	.	PUNCT
eurjchem-322	206	1	supplementary	supplementary	ADJ
eurjchem-322	206	2	material	material	NOUN
eurjchem-322	206	3	diagrams	diagram	NOUN
eurjchem-322	206	4	of	of	ADP
eurjchem-322	206	5	the	the	DET
eurjchem-322	206	6	optimized	optimize	VERB
eurjchem-322	206	7	structures	structure	NOUN
eurjchem-322	206	8	,	,	PUNCT
eurjchem-322	206	9	their	their	PRON
eurjchem-322	206	10	atomic	atomic	ADJ
eurjchem-322	206	11	coordinates	coordinate	NOUN
eurjchem-322	206	12	,	,	PUNCT
eurjchem-322	206	13	tables	table	NOUN
eurjchem-322	206	14	of	of	ADP
eurjchem-322	206	15	bond	bond	NOUN
eurjchem-322	206	16	lengths	length	NOUN
eurjchem-322	206	17	and	and	CCONJ
eurjchem-322	206	18	angles	angle	NOUN
eurjchem-322	206	19	for	for	ADP
eurjchem-322	206	20	the	the	DET
eurjchem-322	206	21	structures	structure	NOUN
eurjchem-322	206	22	of	of	ADP
eurjchem-322	206	23	benzodiazepines	benzodiazepine	NOUN
eurjchem-322	206	24	and	and	CCONJ
eurjchem-322	206	25	their	their	PRON
eurjchem-322	206	26	references	reference	NOUN
eurjchem-322	206	27	are	be	AUX
eurjchem-322	206	28	given	give	VERB
eurjchem-322	206	29	in	in	ADP
eurjchem-322	206	30	supporting	support	VERB
eurjchem-322	206	31	information	information	NOUN
eurjchem-322	206	32	.	.	PUNCT
eurjchem-322	207	1	references	reference	NOUN
eurjchem-322	207	2	[	[	X
eurjchem-322	207	3	1	1	NUM
eurjchem-322	207	4	]	]	PUNCT
eurjchem-322	207	5	.	.	PUNCT
eurjchem-322	208	1	abraham	abraham	PROPN
eurjchem-322	208	2	,	,	PUNCT
eurjchem-322	208	3	d.	d.	PROPN
eurjchem-322	208	4	j.	j.	PROPN
eurjchem-322	208	5	nervous	nervous	ADJ
eurjchem-322	208	6	system	system	NOUN
eurjchem-322	208	7	agents	agent	NOUN
eurjchem-322	208	8	‐	‐	NOUN
eurjchem-322	208	9	burger	burger	NOUN
eurjchem-322	208	10	’s	’s	PART
eurjchem-322	208	11	medicinal	medicinal	ADJ
eurjchem-322	208	12	chemistry	chemistry	PROPN
eurjchem-322	208	13	&	&	CCONJ
eurjchem-322	208	14	drug	drug	NOUN
eurjchem-322	208	15	discovery	discovery	PROPN
eurjchem-322	208	16	–	–	PUNCT
eurjchem-322	208	17	6th	6th	ADJ
eurjchem-322	208	18	ed	ed	NOUN
eurjchem-322	208	19	.	.	PROPN
eurjchem-322	208	20	,	,	PUNCT
eurjchem-322	208	21	wiley	wiley	PROPN
eurjchem-322	208	22	interscience	interscience	PROPN
eurjchem-322	208	23	,	,	PUNCT
eurjchem-322	208	24	john	john	PROPN
eurjchem-322	208	25	wiley	wiley	PROPN
eurjchem-322	208	26	and	and	CCONJ
eurjchem-322	208	27	sons	son	NOUN
eurjchem-322	208	28	;	;	PUNCT
eurjchem-322	208	29	department	department	NOUN
eurjchem-322	208	30	of	of	ADP
eurjchem-322	208	31	medicinal	medicinal	ADJ
eurjchem-322	208	32	chemistry	chemistry	NOUN
eurjchem-322	208	33	,	,	PUNCT
eurjchem-322	208	34	school	school	NOUN
eurjchem-322	208	35	of	of	ADP
eurjchem-322	208	36	pharmacy	pharmacy	PROPN
eurjchem-322	208	37	virginia	virginia	PROPN
eurjchem-322	208	38	commonwealth	commonwealth	PROPN
eurjchem-322	208	39	,	,	PUNCT
eurjchem-322	208	40	2003	2003	NUM
eurjchem-322	208	41	,	,	PUNCT
eurjchem-322	208	42	vol	vol	NOUN
eurjchem-322	208	43	.	.	PROPN
eurjchem-322	208	44	6	6	NUM
eurjchem-322	208	45	.	.	PUNCT
eurjchem-322	209	1	[	[	X
eurjchem-322	209	2	2	2	NUM
eurjchem-322	209	3	]	]	PUNCT
eurjchem-322	209	4	.	.	PUNCT
eurjchem-322	210	1	kessler	kessler	PROPN
eurjchem-322	210	2	,	,	PUNCT
eurjchem-322	210	3	r.	r.	PROPN
eurjchem-322	210	4	c.	c.	PROPN
eurjchem-322	210	5	;	;	PUNCT
eurjchem-322	210	6	frank	frank	PROPN
eurjchem-322	210	7	,	,	PUNCT
eurjchem-322	210	8	r.	r.	PROPN
eurjchem-322	210	9	g.	g.	PROPN
eurjchem-322	210	10	psychol	psychol	PROPN
eurjchem-322	210	11	.	.	PUNCT
eurjchem-322	211	1	med	med	PROPN
eurjchem-322	211	2	.	.	PUNCT
eurjchem-322	212	1	1997	1997	NUM
eurjchem-322	212	2	,	,	PUNCT
eurjchem-322	212	3	27	27	NUM
eurjchem-322	212	4	,	,	PUNCT
eurjchem-322	212	5	861‐873	861‐873	NUM
eurjchem-322	212	6	.	.	PUNCT
eurjchem-322	213	1	[	[	X
eurjchem-322	213	2	3	3	NUM
eurjchem-322	213	3	]	]	PUNCT
eurjchem-322	213	4	.	.	PUNCT
eurjchem-322	214	1	walley	walley	PROPN
eurjchem-322	214	2	,	,	PUNCT
eurjchem-322	214	3	e.	e.	PROPN
eurjchem-322	214	4	j.	j.	PROPN
eurjchem-322	214	5	;	;	PUNCT
eurjchem-322	214	6	beebe	beebe	PROPN
eurjchem-322	214	7	d.	d.	PROPN
eurjchem-322	214	8	k.	k.	PROPN
eurjchem-322	214	9	;	;	PUNCT
eurjchem-322	214	10	clark	clark	PROPN
eurjchem-322	214	11	,	,	PUNCT
eurjchem-322	214	12	j.	j.	PROPN
eurjchem-322	214	13	l.	l.	PROPN
eurjchem-322	214	14	am	am	PROPN
eurjchem-322	214	15	.	.	PUNCT
eurjchem-322	215	1	fam	fam	PROPN
eurjchem-322	215	2	.	.	PUNCT
eurjchem-322	215	3	physician	physician	PROPN
eurjchem-322	215	4	.	.	PUNCT
eurjchem-322	216	1	1994	1994	NUM
eurjchem-322	216	2	,	,	PUNCT
eurjchem-322	216	3	50	50	NUM
eurjchem-322	216	4	,	,	PUNCT
eurjchem-322	216	5	1745–1753	1745–1753	NUM
eurjchem-322	216	6	.	.	PUNCT
eurjchem-322	217	1	[	[	X
eurjchem-322	217	2	4	4	NUM
eurjchem-322	217	3	]	]	PUNCT
eurjchem-322	217	4	.	.	PUNCT
eurjchem-322	218	1	van	van	PROPN
eurjchem-322	218	2	ameringen	ameringen	PROPN
eurjchem-322	218	3	,	,	PUNCT
eurjchem-322	218	4	m.	m.	NOUN
eurjchem-322	218	5	;	;	PUNCT
eurjchem-322	218	6	mancini	mancini	PROPN
eurjchem-322	218	7	,	,	PUNCT
eurjchem-322	218	8	c.	c.	PROPN
eurjchem-322	218	9	;	;	PUNCT
eurjchem-322	218	10	farvolden	farvolden	VERB
eurjchem-322	218	11	,	,	PUNCT
eurjchem-322	218	12	p.	p.	PROPN
eurjchem-322	218	13	;	;	PUNCT
eurjchem-322	218	14	oakman	oakman	PROPN
eurjchem-322	218	15	j.	j.	PROPN
eurjchem-322	218	16	curr	curr	PROPN
eurjchem-322	218	17	.	.	PUNCT
eurjchem-322	219	1	psychiatry	psychiatry	PROPN
eurjchem-322	219	2	rep	rep	PROPN
eurjchem-322	219	3	.	.	PROPN
eurjchem-322	219	4	2000	2000	NUM
eurjchem-322	219	5	,	,	PUNCT
eurjchem-322	219	6	2	2	NUM
eurjchem-322	219	7	,	,	PUNCT
eurjchem-322	219	8	358–366	358–366	NUM
eurjchem-322	219	9	.	.	PUNCT
eurjchem-322	220	1	[	[	X
eurjchem-322	220	2	5	5	NUM
eurjchem-322	220	3	]	]	PUNCT
eurjchem-322	220	4	.	.	PUNCT
eurjchem-322	220	5	davidson	davidson	PROPN
eurjchem-322	220	6	,	,	PUNCT
eurjchem-322	220	7	j.	j.	PROPN
eurjchem-322	220	8	r.	r.	PROPN
eurjchem-322	220	9	;	;	PUNCT
eurjchem-322	220	10	potts	potts	PROPN
eurjchem-322	220	11	,	,	PUNCT
eurjchem-322	220	12	n.	n.	PROPN
eurjchem-322	220	13	l.	l.	PROPN
eurjchem-322	220	14	s.	s.	PROPN
eurjchem-322	220	15	;	;	PUNCT
eurjchem-322	220	16	richichi	richichi	PROPN
eurjchem-322	220	17	,	,	PUNCT
eurjchem-322	220	18	e.	e.	PROPN
eurjchem-322	220	19	a.	a.	PROPN
eurjchem-322	220	20	j.	j.	PROPN
eurjchem-322	220	21	clin	clin	PROPN
eurjchem-322	220	22	.	.	PUNCT
eurjchem-322	221	1	psychopharmacol	psychopharmacol	PROPN
eurjchem-322	221	2	.	.	PUNCT
eurjchem-322	222	1	1993	1993	NUM
eurjchem-322	222	2	,	,	PUNCT
eurjchem-322	222	3	13	13	NUM
eurjchem-322	222	4	,	,	PUNCT
eurjchem-322	222	5	423–428	423–428	NUM
eurjchem-322	222	6	.	.	PUNCT
eurjchem-322	223	1	[	[	X
eurjchem-322	223	2	6	6	NUM
eurjchem-322	223	3	]	]	PUNCT
eurjchem-322	223	4	.	.	PUNCT
eurjchem-322	224	1	gelernter	gelernter	NOUN
eurjchem-322	224	2	,	,	PUNCT
eurjchem-322	224	3	c.	c.	PROPN
eurjchem-322	224	4	s.	s.	PROPN
eurjchem-322	224	5	;	;	PUNCT
eurjchem-322	224	6	uhde	uhde	PROPN
eurjchem-322	224	7	,	,	PUNCT
eurjchem-322	224	8	t.	t.	PROPN
eurjchem-322	224	9	w.	w.	PROPN
eurjchem-322	224	10	;	;	PUNCT
eurjchem-322	224	11	cimbolic	cimbolic	ADJ
eurjchem-322	224	12	,	,	PUNCT
eurjchem-322	224	13	peter	peter	PROPN
eurjchem-322	224	14	;	;	PUNCT
eurjchem-322	224	15	arnkoff	arnkoff	PROPN
eurjchem-322	224	16	,	,	PUNCT
eurjchem-322	224	17	d.	d.	PROPN
eurjchem-322	224	18	b.	b.	PROPN
eurjchem-322	224	19	;	;	PUNCT
eurjchem-322	224	20	vittone	vittone	PROPN
eurjchem-322	224	21	,	,	PUNCT
eurjchem-322	224	22	bernard	bernard	PROPN
eurjchem-322	224	23	j.	j.	PROPN
eurjchem-322	224	24	;	;	PUNCT
eurjchem-322	224	25	tancer	tancer	PROPN
eurjchem-322	224	26	,	,	PUNCT
eurjchem-322	224	27	m.	m.	PROPN
eurjchem-322	224	28	e.	e.	PROPN
eurjchem-322	224	29	;	;	PUNCT
eurjchem-322	224	30	bartko	bartko	PROPN
eurjchem-322	224	31	,	,	PUNCT
eurjchem-322	224	32	j.	j.	PROPN
eurjchem-322	224	33	j.	j.	PROPN
eurjchem-322	224	34	arch	arch	PROPN
eurjchem-322	224	35	.	.	PUNCT
eurjchem-322	225	1	gen	gen	PROPN
eurjchem-322	225	2	.	.	PROPN
eurjchem-322	225	3	psychiatry	psychiatry	PROPN
eurjchem-322	225	4	.	.	PUNCT
eurjchem-322	226	1	1991	1991	NUM
eurjchem-322	226	2	,	,	PUNCT
eurjchem-322	226	3	48	48	NUM
eurjchem-322	226	4	,	,	PUNCT
eurjchem-322	226	5	938–945	938–945	NUM
eurjchem-322	226	6	.	.	PUNCT
eurjchem-322	227	1	[	[	X
eurjchem-322	227	2	7	7	NUM
eurjchem-322	227	3	]	]	PUNCT
eurjchem-322	227	4	.	.	PUNCT
eurjchem-322	228	1	sternbach	sternbach	PROPN
eurjchem-322	228	2	,	,	PUNCT
eurjchem-322	228	3	l.	l.	PROPN
eurjchem-322	228	4	h.	h.	PROPN
eurjchem-322	228	5	j.	j.	PROPN
eurjchem-322	228	6	clin	clin	PROPN
eurjchem-322	228	7	.	.	PUNCT
eurjchem-322	229	1	psychopharmacol	psychopharmacol	PROPN
eurjchem-322	229	2	.	.	PROPN
eurjchem-322	229	3	1994	1994	NUM
eurjchem-322	229	4	,	,	PUNCT
eurjchem-322	229	5	14	14	NUM
eurjchem-322	229	6	,	,	PUNCT
eurjchem-322	229	7	170–179	170–179	NUM
eurjchem-322	229	8	.	.	PUNCT
eurjchem-322	230	1	[	[	X
eurjchem-322	230	2	8	8	NUM
eurjchem-322	230	3	]	]	PUNCT
eurjchem-322	230	4	.	.	PUNCT
eurjchem-322	231	1	sanger	sanger	PROPN
eurjchem-322	231	2	,	,	PUNCT
eurjchem-322	231	3	d.	d.	PROPN
eurjchem-322	231	4	j.	j.	PROPN
eurjchem-322	231	5	;	;	PUNCT
eurjchem-322	231	6	benavides	benavides	PROPN
eurjchem-322	231	7	,	,	PUNCT
eurjchem-322	231	8	j.	j.	PROPN
eurjchem-322	231	9	;	;	PUNCT
eurjchem-322	231	10	perrault	perrault	PROPN
eurjchem-322	231	11	,	,	PUNCT
eurjchem-322	231	12	g.	g.	PROPN
eurjchem-322	231	13	;	;	PUNCT
eurjchem-322	231	14	morel	morel	PROPN
eurjchem-322	231	15	,	,	PUNCT
eurjchem-322	231	16	e.	e.	PROPN
eurjchem-322	231	17	;	;	PUNCT
eurjchem-322	231	18	cohen	cohen	PROPN
eurjchem-322	231	19	,	,	PUNCT
eurjchem-322	231	20	c.	c.	PROPN
eurjchem-322	231	21	;	;	PUNCT
eurjchem-322	231	22	joly	joly	PROPN
eurjchem-322	231	23	,	,	PUNCT
eurjchem-322	231	24	d.	d.	PROPN
eurjchem-322	231	25	;	;	PUNCT
eurjchem-322	231	26	zivkovic	zivkovic	PROPN
eurjchem-322	231	27	,	,	PUNCT
eurjchem-322	231	28	b.	b.	PROPN
eurjchem-322	231	29	neurosci	neurosci	PROPN
eurjchem-322	231	30	.	.	PUNCT
eurjchem-322	232	1	biobehav	biobehav	PROPN
eurjchem-322	232	2	.	.	PUNCT
eurjchem-322	233	1	rev	rev	PROPN
eurjchem-322	233	2	.	.	PROPN
eurjchem-322	233	3	1994	1994	NUM
eurjchem-322	233	4	,	,	PUNCT
eurjchem-322	233	5	18	18	NUM
eurjchem-322	233	6	,	,	PUNCT
eurjchem-322	233	7	355–372	355–372	NUM
eurjchem-322	233	8	.	.	PUNCT
eurjchem-322	234	1	gomes	gomes	PROPN
eurjchem-322	234	2	et	et	PROPN
eurjchem-322	234	3	al	al	PROPN
eurjchem-322	234	4	.	.	PUNCT
eurjchem-322	234	5	/	/	SYM
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eurjchem-322	234	10	2	2	NUM
eurjchem-322	234	11	(	(	PUNCT
eurjchem-322	234	12	1	1	NUM
eurjchem-322	234	13	)	)	PUNCT
eurjchem-322	234	14	(	(	PUNCT
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eurjchem-322	262	74	a.	a.	PROPN
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eurjchem-322	262	79	,	,	PUNCT
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eurjchem-322	263	1	[	[	X
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eurjchem-322	263	3	]	]	PUNCT
eurjchem-322	263	4	.	.	PUNCT
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eurjchem-322	265	2	.	.	PUNCT
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eurjchem-322	266	2	,	,	PUNCT
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eurjchem-322	266	4	,	,	PUNCT
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eurjchem-322	266	6	.	.	PUNCT
eurjchem-322	267	1	[	[	X
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eurjchem-322	272	2	.	.	PUNCT
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eurjchem-322	273	2	,	,	PUNCT
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eurjchem-322	274	4	.	.	PUNCT
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eurjchem-322	287	2	,	,	PUNCT
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eurjchem-322	291	4	.	.	PUNCT
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eurjchem-322	295	4	.	.	PUNCT
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eurjchem-322	299	4	.	.	PUNCT
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eurjchem-322	300	2	,	,	PUNCT
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eurjchem-322	302	2	.	.	PUNCT
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eurjchem-322	303	2	,	,	PUNCT
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eurjchem-322	303	4	,	,	PUNCT
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eurjchem-322	305	2	,	,	PUNCT
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eurjchem-322	305	7	,	,	PUNCT
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eurjchem-322	305	12	,	,	PUNCT
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eurjchem-322	308	4	.	.	PUNCT
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eurjchem-322	311	2	.	.	PUNCT
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eurjchem-322	312	2	,	,	PUNCT
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eurjchem-322	312	4	,	,	PUNCT
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eurjchem-322	314	5	.	.	PUNCT
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eurjchem-322	315	2	.	.	PUNCT
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eurjchem-322	316	2	,	,	PUNCT
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eurjchem-322	316	4	,	,	PUNCT
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eurjchem-322	316	6	.	.	PUNCT
eurjchem-322	317	1	[	[	X
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eurjchem-322	317	3	]	]	PUNCT
eurjchem-322	317	4	.	.	PUNCT
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eurjchem-322	317	6	,	,	PUNCT
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eurjchem-322	317	17	,	,	PUNCT
eurjchem-322	317	18	20	20	NUM
eurjchem-322	317	19	,	,	PUNCT
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eurjchem-322	317	21	.	.	PUNCT
eurjchem-322	318	1	[	[	X
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eurjchem-322	318	4	.	.	PUNCT
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eurjchem-322	319	2	,	,	PUNCT
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eurjchem-322	319	6	,	,	PUNCT
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eurjchem-322	320	2	,	,	PUNCT
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eurjchem-322	320	4	,	,	PUNCT
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eurjchem-322	320	6	.	.	PUNCT
eurjchem-322	321	1	[	[	X
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eurjchem-322	321	4	.	.	PUNCT
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eurjchem-322	322	2	,	,	PUNCT
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