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-0.178708420 2.743305375 -1.467982519 N $end AHB21/11A/.CHRG 0000644 0000165 0001751 00000000003 13047221465 011325 0 ustar jens thch -1 AHB21/7A/ 0000755 0000165 0001751 00000000000 13047221472 010533 5 ustar jens thch AHB21/7A/struc.xyz 0000644 0000165 0001751 00000000070 13047221472 012444 0 ustar jens thch 1 Cl -1.38565744 2.76073507 0.04152025 AHB21/7A/coord 0000644 0000165 0001751 00000000036 13047221472 011563 0 ustar jens thch $coord 0.00 0.00 0.00 Cl $end AHB21/7A/.CHRG 0000644 0000165 0001751 00000000003 13047221472 011250 0 ustar jens thch -1 AHB21/16A/ 0000755 0000165 0001751 00000000000 13047221467 010617 5 ustar jens thch AHB21/16A/struc.xyz 0000644 0000165 0001751 00000000154 13047221467 012533 0 ustar jens thch 2 S -0.51241078 -0.44197264 -0.04750800 H 0.79415815 -0.15372357 -0.13812390 AHB21/16A/coord 0000644 0000165 0001751 00000000174 13047221467 011652 0 ustar jens thch $coord -0.968315969 -0.835207185 -0.089777102 S 1.500741297 -0.290495426 -0.261016324 H $end AHB21/16A/.CHRG 0000644 0000165 0001751 00000000003 13047221467 011334 0 ustar jens thch -1 AHB21/.res 0000755 0000165 0001751 00000001551 13047221465 011065 0 ustar jens thch tmer2_GMTKN 1 1A 1B x 1 -1 -1 $1 -17.79 tmer2_GMTKN 2 2A 2B x 1 -1 -1 $1 -32.50 tmer2_GMTKN 3 3A 3B x 1 -1 -1 $1 -65.68 tmer2_GMTKN 4 4A 4B x 1 -1 -1 $1 -8.98 tmer2_GMTKN 5 5A 5B x 1 -1 -1 $1 -15.61 tmer2_GMTKN 6 6A 6B x 1 -1 -1 $1 -25.52 tmer2_GMTKN 7 7A 7B x 1 -1 -1 $1 -14.35 tmer2_GMTKN 8 8A 8B x 1 -1 -1 $1 -41.79 tmer2_GMTKN 9 9A 9B x 1 -1 -1 $1 -17.03 tmer2_GMTKN 10 10A 10B x 1 -1 -1 $1 -37.31 tmer2_GMTKN 11 11A 11B x 1 -1 -1 $1 -7.97 tmer2_GMTKN 12 12A 12B x 1 -1 -1 $1 -14.13 tmer2_GMTKN 13 13A 13B x 1 -1 -1 $1 -26.01 tmer2_GMTKN 14 14A 14B x 1 -1 -1 $1 -11.07 tmer2_GMTKN 15 15A 15B x 1 -1 -1 $1 -8.62 tmer2_GMTKN 16 16A 16B x 1 -1 -1 $1 -15.73 tmer2_GMTKN 17 17A 17B x 1 -1 -1 $1 -26.24 tmer2_GMTKN 18 18A 18B x 1 -1 -1 $1 -12.80 tmer2_GMTKN 19 19A 19B x 1 -1 -1 $1 -20.65 tmer2_GMTKN 20 20A 20B x 1 -1 -1 $1 -21.03 tmer2_GMTKN 21 21A 21B x 1 -1 -1 $1 -31.40 AHB21/5A/ 0000755 0000165 0001751 00000000000 13047221472 010531 5 ustar jens thch AHB21/5A/struc.xyz 0000644 0000165 0001751 00000000056 13047221472 012446 0 ustar jens thch 1 Cl -1.351043 0.035294 0.000000 AHB21/5A/coord 0000644 0000165 0001751 00000000036 13047221472 011561 0 ustar jens thch $coord 0.00 0.00 0.00 Cl $end AHB21/5A/.CHRG 0000644 0000165 0001751 00000000003 13047221472 011246 0 ustar jens thch -1 AHB21/10B/ 0000755 0000165 0001751 00000000000 13047221465 010610 5 ustar jens thch AHB21/10B/struc.xyz 0000644 0000165 0001751 00000000240 13047221465 012520 0 ustar jens thch 3 O -1.23110973 0.09790429 -0.05372440 H -0.11773792 0.03366878 -0.06528348 H -1.46896962 -0.65591986 0.49310314 AHB21/10B/coord 0000644 0000165 0001751 00000000264 13047221465 011643 0 ustar jens thch $coord -2.326460054 0.185012281 -0.101524395 O -0.222492407 0.063624769 -0.123367889 H -2.775950070 -1.239508807 0.931829820 H $end AHB21/10B/.CHRG 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00000000264 13047221472 011567 0 ustar jens thch $coord -0.852980833 -0.958808379 0.159087433 S 1.592702601 -0.332175600 0.138585153 H -1.620852394 1.584312652 0.123457443 H $end AHB21/7B/.CHRG 0000644 0000165 0001751 00000000002 13047221472 011250 0 ustar jens thch 0 AHB21/18A/ 0000755 0000165 0001751 00000000000 13047221470 010613 5 ustar jens thch AHB21/18A/struc.xyz 0000644 0000165 0001751 00000000324 13047221470 012526 0 ustar jens thch 4 O 1.08158457 0.53552235 1.16453411 O 0.73140531 1.11728859 -1.02901220 C 0.55296274 0.41582213 0.01932584 H -0.18253542 -0.43603415 -0.09503084 AHB21/18A/coord 0000644 0000165 0001751 00000000354 13047221470 011646 0 ustar jens thch $coord 2.043898473 1.011990503 2.200650374 O 1.382155624 2.111369287 -1.944551099 O 1.044948062 0.785789886 0.036520542 C -0.344941927 -0.823985066 -0.179582248 H $end AHB21/18A/.CHRG 0000644 0000165 0001751 00000000003 13047221470 011330 0 ustar jens thch -1 AHB21/2/ 0000755 0000165 0001751 00000000000 13047221470 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jens thch AHB21/21A/struc.xyz 0000644 0000165 0001751 00000000324 13047221471 012521 0 ustar jens thch 4 O 1.37088589 -0.63951214 0.00955920 O 0.92684716 1.60675965 -0.18182350 C 0.62193618 0.36289945 -0.06180930 H -0.48781772 0.18146382 -0.01741873 AHB21/21A/coord 0000644 0000165 0001751 00000000354 13047221470 011640 0 ustar jens thch $coord 2.590598696 -1.208502712 0.018064269 O 1.751487167 3.036335471 -0.343596594 O 1.175288964 0.685780523 -0.116802641 C -0.921841824 0.342916897 -0.032916627 H $end AHB21/21A/.CHRG 0000644 0000165 0001751 00000000003 13047221471 011323 0 ustar jens thch -1 AHB21/2A/ 0000755 0000165 0001751 00000000000 13047221471 010525 5 ustar jens thch AHB21/2A/struc.xyz 0000644 0000165 0001751 00000000056 13047221471 012442 0 ustar jens thch 1 F -1.236389 0.012239 0.000000 AHB21/2A/coord 0000644 0000165 0001751 00000000035 13047221471 011554 0 ustar jens thch $coord 0.00 0.00 0.00 F $end AHB21/2A/.CHRG 0000644 0000165 0001751 00000000003 13047221471 011242 0 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thch AHB21/5/struc.xyz 0000644 0000165 0001751 00000000254 13047221472 012345 0 ustar jens thch 4 Cl -1.351043 0.035294 0.000000 O 1.741354 -0.086572 0.000000 H 1.829090 0.870130 0.000000 H 0.754930 -0.179400 0.000000 AHB21/5/coord 0000644 0000165 0001751 00000000354 13047221471 011462 0 ustar jens thch $coord -2.553101071 0.066695989 0.000000000 CL 3.290681912 -0.163597358 0.000000000 O 3.456478912 1.644307276 0.000000000 H 1.426610842 -0.339016843 0.000000000 H $end AHB21/5/.CHRG 0000644 0000165 0001751 00000000003 13047221472 011145 0 ustar jens thch -1 AHB21/16B/ 0000755 0000165 0001751 00000000000 13047221467 010620 5 ustar jens thch AHB21/16B/struc.xyz 0000644 0000165 0001751 00000000240 13047221467 012530 0 ustar jens thch 3 H -1.09392828 1.61353979 0.51030649 O -1.38518770 2.56316698 0.55894651 H -1.49409901 2.75755918 -0.37617920 AHB21/16B/coord 0000644 0000165 0001751 00000000264 13047221467 011653 0 ustar jens thch $coord -2.067224702 3.049148078 0.964339437 H -2.617625198 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AHB21/16/.CHRG 0000644 0000165 0001751 00000000003 13047221467 011233 0 ustar jens thch -1 AHB21/3A/ 0000755 0000165 0001751 00000000000 13047221471 010526 5 ustar jens thch AHB21/3A/struc.xyz 0000644 0000165 0001751 00000000070 13047221471 012437 0 ustar jens thch 1 F -2.39910643 1.11119678 0.01465458 AHB21/3A/coord 0000644 0000165 0001751 00000000035 13047221471 011555 0 ustar jens thch $coord 0.00 0.00 0.00 F $end AHB21/3A/.CHRG 0000644 0000165 0001751 00000000003 13047221471 011243 0 ustar jens thch -1 AHB21/x 0000644 0000000 0000000 00000005651 13125220722 010506 0 ustar root root