Table 2.

Hydrogen bond-metrics for HPA.

D–H....A	[ARU]	D–H	H…A	D…A	D–H…A
		(Å)	(Å)	(Å)	(o)
N (10)–H (17)…O (14)	[3456.01]	0.851 (14)	2.341 (14)	3.1366 (16)	155.8 (13)
N (10)–H (18)…N (3)	[4655.01]	0.910 (15)	2.188 (15)	3.0790 (17)	166.2 (14)
O (14)–H (25)…N (7)	[3556.01]	0.89 (2)	1.93 (2)	2.7676 (15)	156 (2)
C (8)–H (16)…N (7)	[3456.01]	0.93	2.55	3.3686 (18)	148

Translation of ARU-code to Equivalent Position Code
i)[3556] = 1/2 + x, 1/2-y, 1-z
ii)[4655] = 1-x, 1/2 + y, 1/2-z
iii)[3456] = -1/2 + x, 1/2-y, 1-z