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lammps/tools/msi2lmp/test/phen3_cff97.car
60c7f745b9b7lammm-master-deprecated

phen3_cff97.car
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			!BIOSYM archive 3
			PBC=OFF
			input file for discover
			!DATE Tue Jul 15 15:14:54 1997
			N 0.109592088 -0.199880913 0.000000478 PHEN 1 n+ N -0.0450
			HN1 -0.124733858 -1.202872038 -0.000001981 PHEN 1 h+ H 0.2800
			HN2 -0.285811990 0.244572327 0.840843439 PHEN 1 h+ H 0.2800
			HN3 -0.285812497 0.244576558 -0.840839982 PHEN 1 h+ H 0.2800
			CA 1.560634732 -0.038402185 0.000000465 PHEN 1 c C -0.0780
			HA 1.972637177 -0.500293911 0.916701555 PHEN 1 h H 0.0530
			C 1.942531705 1.422506809 0.000000450 PHEN 1 c- C 0.2974
			OXT 3.187694550 1.672445178 0.000000438 PHEN 1 o- O -0.5337
			O 1.070737839 2.346019268 0.000000449 PHEN 1 o- O -0.5337
			CB 2.174581766 -0.718786478 -1.261021852 PHEN 1 c C -0.1060
			HB1 1.839982390 -0.182426706 -2.172762394 PHEN 1 h H 0.0530
			HB2 3.272250891 -0.569177628 -1.261509657 PHEN 1 h H 0.0530
			CG 1.889680982 -2.218492746 -1.435816169 PHEN 1 cp C 0.0000
			CD1 0.737977445 -2.629161119 -2.116767168 PHEN 1 cp C -0.1305
			HD1 0.061427273 -1.894254208 -2.533302307 PHEN 1 h H 0.1305
			CE1 0.424228579 -3.980331659 -2.214080095 PHEN 1 cp C -0.1305
			HE1 -0.483345032 -4.285143852 -2.715474367 PHEN 1 h H 0.1305
			CZ 1.268485427 -4.931880474 -1.646431088 PHEN 1 cp C -0.1305
			HZ 1.020345688 -5.980008125 -1.718327641 PHEN 1 h H 0.1305
			CE2 2.423752546 -4.531005859 -0.977356374 PHEN 1 cp C -0.1305
			HE2 3.074717045 -5.268786907 -0.531340718 PHEN 1 h H 0.1305
			CD2 2.733307123 -3.177516222 -0.869901538 PHEN 1 cp C -0.1305
			HD2 3.619415522 -2.873045444 -0.331384182 PHEN 1 h H 0.1305
			end
			end