TITLE Equilibration simulation of ACH, at constant pressure 21-5-2001 END POSITION # first 24 chars ignored 1 ACH C1 1 0.094110287 1.122506284 2.284876499 1 ACH C2 2 0.196028503 1.098688863 2.173284749 1 ACH O1 3 0.310121312 1.069587511 2.208846482 1 ACH O2 4 0.169051686 1.107184336 2.040270582 1 ACH H2 5 0.248203064 1.059640828 2.001880102 1 ACH C1 6 0.650225295 3.317708435 1.700721146 1 ACH C2 7 0.728701024 3.266607998 1.821705786 1 ACH O1 8 0.821753702 3.321768327 1.880248351 1 ACH O2 9 0.717792200 3.131599308 1.833831188 1 ACH H2 10 0.769228578 3.109672410 1.916736606 1 ACH C1 11 0.525411444 2.719482899 1.936751557 1 ACH C2 12 0.513872931 2.659764866 1.796367267 1 ACH O1 13 0.424063447 2.677817523 1.714287715 1 ACH O2 14 0.632668114 2.615734644 1.746944211 1 ACH H2 15 0.603092239 2.592974143 1.654168518 1 ACH C1 16 3.058725935 2.294886152 1.281867478 1 ACH C2 17 3.115927682 2.423561722 1.341664809 1 ACH O1 18 3.089835151 2.459821039 1.456259610 1 ACH O2 19 3.212843917 2.485364870 1.268978902 1 ACH H2 20 3.213644406 2.575448143 1.312376669 1 ACH C1 21 0.173020380 0.363687558 3.108773836 1 ACH C2 22 0.151747967 0.293823279 2.974334953 1 ACH O1 23 0.049165368 0.318360752 2.911062387 1 ACH O2 24 0.261548857 0.248940935 2.907834644 1 ACH H2 25 0.231160548 0.183274900 2.838810586 1 ACH C1 26 3.314752073 0.642427781 3.417072865 1 ACH C2 27 3.182009740 0.677672555 3.484526430 1 ACH O1 28 3.098869347 0.738933213 3.417699910 1 ACH O2 29 3.162700125 0.601183329 3.595306231 1 ACH H2 30 3.084971804 0.648786205 3.636446179 1 ACH C1 31 1.491334261 2.198027491 2.892818214 1 ACH C2 32 1.418449101 2.162791354 3.022637760 1 ACH O1 33 1.457137919 2.086422082 3.110953129 1 ACH O2 34 1.288081934 2.201390186 3.025383120 1 ACH H2 35 1.236051962 2.188351470 3.109773060 1 ACH C1 36 3.434493064 0.337956897 0.046104758 1 ACH C2 37 3.444221559 0.264366560 3.459463025 1 ACH O1 38 3.485171583 0.148890820 3.448714803 1 ACH O2 39 3.420738897 0.343436966 3.351333184 1 ACH H2 40 3.447675789 0.280251063 3.278664005 1 ACH C1 41 2.679904273 0.993640555 1.166668774 1 ACH C2 42 2.717879757 1.131869095 1.220140838 1 ACH O1 43 2.829672962 1.156300791 1.265247997 1 ACH O2 44 2.633923791 1.232634060 1.184148953 1 ACH H2 45 2.665154313 1.315624730 1.230378560 1 ACH C1 46 2.262145462 2.687343176 1.645446514 1 ACH C2 47 2.336454500 2.763028955 1.755711457 1 ACH O1 48 2.376407546 2.718747723 1.863268983 1 ACH O2 49 2.326664549 2.898292139 1.745584580 1 ACH H2 50 2.393299235 2.933498109 1.811299618 1 ACH C1 51 3.305596694 2.311850451 1.953875309 1 ACH C2 52 3.316888015 2.217994356 2.074175214 1 ACH O1 53 3.263629688 2.244584571 2.181797447 1 ACH O2 54 3.379339191 2.098152622 2.058933922 1 ACH H2 55 3.400087764 2.070702932 2.152817940 1 ACH C1 56 2.797780414 0.461948601 2.177400883 1 ACH C2 57 2.681850178 0.363867246 2.195994325 1 ACH O1 58 2.698426829 0.254772125 2.250318629 1 ACH O2 59 2.556781331 0.412349028 2.173568284 1 ACH H2 60 2.494162436 0.350980611 2.221654124 1 ACH C1 61 0.751714738 0.035047015 0.142255897 1 ACH C2 62 0.667891081 0.162315113 0.155790342 1 ACH O1 63 0.685728261 0.270155891 0.099390906 1 ACH O2 64 0.554664241 0.144321181 0.228926976 1 ACH H2 65 0.519106806 0.236550018 0.213830216 1 ACH C1 66 3.031884585 1.131640619 2.501540099 1 ACH C2 67 3.121412951 1.195490808 2.607903326 1 ACH O1 68 3.096433115 1.167485270 2.725031759 1 ACH O2 69 3.230743619 1.264126740 2.565106821 1 ACH H2 70 3.264849955 1.300438512 2.651810369 1 ACH C1 71 3.429368624 0.953438420 2.552453337 1 ACH C2 72 3.460250710 0.829324705 2.636421249 1 ACH O1 73 3.569853475 0.773598426 2.639170106 1 ACH O2 74 3.349533155 0.765139522 2.682426785 1 ACH H2 75 3.395355093 0.688133770 2.726804204 1 ACH C1 76 0.463766195 1.664635830 0.376665931 1 ACH C2 77 0.432410709 1.723056940 0.514554926 1 ACH O1 78 0.315995667 1.747567592 0.545827264 1 ACH O2 79 0.540727423 1.754649183 0.590482830 1 ACH H2 80 0.509175745 1.787419098 0.679537933 1 ACH C1 81 3.094032018 1.054573575 3.198964918 1 ACH C2 82 3.177653040 1.113040088 3.312972459 1 ACH O1 83 3.171177969 1.059968158 3.423751410 1 ACH O2 84 3.262947542 1.215368814 3.285627585 1 ACH H2 85 3.312068299 1.244286826 3.367799589 1 ACH C1 86 2.957733174 1.447365095 0.663374638 1 ACH C2 87 3.026162317 1.407609110 0.532439294 1 ACH O1 88 3.109504439 1.318327293 0.517894793 1 ACH O2 89 2.956645371 1.448639247 0.422997617 1 ACH H2 90 3.013580573 1.395790062 0.360024282 1 ACH C1 91 0.068291255 1.483732368 1.114747391 1 ACH C2 92 0.174829006 1.375292740 1.097497766 1 ACH O1 93 0.137193412 1.259174567 1.082370745 1 ACH O2 94 0.303961250 1.402773223 1.064911159 1 ACH H2 95 0.357918930 1.318786361 1.070681585 1 ACH C1 96 0.180861799 0.264657639 1.381459651 1 ACH C2 97 0.119844754 0.375363213 1.295263803 1 ACH O1 98 0.189674408 0.458200153 1.237040605 1 ACH O2 99 -0.015826989 0.384635381 1.296315203 1 ACH H2 100 -0.038747202 0.462509332 1.237919054 1 ACH C1 101 1.396539954 1.138149184 2.392272204 1 ACH C2 102 1.324867094 1.013438617 2.444399206 1 ACH O1 103 1.233852973 0.952160734 2.388810129 1 ACH O2 104 1.371554101 0.978765810 2.567327897 1 ACH H2 105 1.331627414 0.887084805 2.567117867 1 ACH C1 106 0.792748213 1.068728517 2.358976815 1 ACH C2 107 0.915554196 1.113647906 2.279553428 1 ACH O1 108 0.939640266 1.092462196 2.160811179 1 ACH O2 109 1.016826771 1.164893942 2.354461065 1 ACH H2 110 1.068096694 1.213635531 2.283792079 1 ACH C1 111 3.266987410 0.434097195 3.082698263 1 ACH C2 112 3.136810489 0.395990181 3.153457762 1 ACH O1 113 3.120265105 0.296545195 3.223925064 1 ACH O2 114 3.043155942 0.491610313 3.129336244 1 ACH H2 115 2.959830030 0.462688751 3.176439312 1 ACH C1 116 2.800987401 1.129437837 3.409716966 1 ACH C2 117 2.707520447 1.216759508 3.325776355 1 ACH O1 118 2.702255347 1.207247561 3.203259024 1 ACH O2 119 2.634381105 1.309622196 3.393007543 1 ACH H2 120 2.578596950 1.348283433 3.319577413 1 ACH C1 121 2.518929375 1.613569128 0.529107965 1 ACH C2 122 2.650406762 1.542508680 0.496421973 1 ACH O1 123 2.677241332 1.424214528 0.516767183 1 ACH O2 124 2.746449356 1.617297553 0.435774866 1 ACH H2 125 2.811220772 1.545777339 0.409538537 1 ACH C1 126 3.029411360 2.042232723 0.870752901 1 ACH C2 127 3.023555040 1.971115565 0.735429038 1 ACH O1 128 3.040941638 2.028590402 0.628090068 1 ACH O2 129 3.007520811 1.836201615 0.741491757 1 ACH H2 130 3.005346625 1.810920374 0.644767476 1 ACH C1 131 3.345321429 3.241244924 3.512618674 1 ACH C2 132 3.411701453 3.371709955 3.468129142 1 ACH O1 133 3.506168093 3.370994374 3.389362164 1 ACH O2 134 3.341287186 3.486123930 3.489184790 1 ACH H2 135 3.399949406 3.562595241 3.462556359 1 ACH C1 136 0.066151953 0.123695609 1.927486369 1 ACH C2 137 0.061982700 0.166087676 2.074448900 1 ACH O1 138 0.010424613 0.093612283 2.159414990 1 ACH O2 139 0.094316919 0.296805343 2.093503925 1 ACH H2 140 0.071288866 0.326573023 2.186150524 1 ACH C1 141 0.003838735 3.108666220 3.084592651 1 ACH C2 142 0.095442783 3.018878192 3.001203255 1 ACH O1 143 0.199268217 3.056040372 2.946724391 1 ACH O2 144 0.068362291 2.886538391 3.016875318 1 ACH H2 145 0.146808978 2.845351672 2.970524588 1 ACH C1 146 2.352889570 2.096993057 1.739538389 1 ACH C2 147 2.424408668 2.019368862 1.628794193 1 ACH O1 148 2.431087734 2.047859970 1.509332003 1 ACH O2 149 2.490176133 1.909802145 1.675328070 1 ACH H2 150 2.528740090 1.874469672 1.590102386 1 ACH C1 151 2.514563496 0.603177115 2.784849081 1 ACH C2 152 2.552936056 0.746958101 2.749364170 1 ACH O1 153 2.639491513 0.776728904 2.667209386 1 ACH O2 154 2.448255248 0.832530178 2.764026195 1 ACH H2 155 2.483039804 0.919568929 2.729202431 1 ACH C1 156 0.235726737 1.402009791 2.852621398 1 ACH C2 157 0.234145846 1.462878067 2.992981939 1 ACH O1 158 0.258366038 1.392170953 3.090653627 1 ACH O2 159 0.163826624 1.578055888 3.009827048 1 ACH H2 160 0.170547511 1.579421434 3.109589439 1 ACH C1 161 2.192550094 1.871711135 0.435963159 1 ACH C2 162 2.298128094 1.977114041 0.402067632 1 ACH O1 163 2.409146259 1.940314989 0.364015495 1 ACH O2 164 2.265577074 2.108998453 0.408591442 1 ACH H2 165 2.344066783 2.157184716 0.369633345 1 ACH C1 166 1.833033318 2.152765968 1.146335187 1 ACH C2 167 1.908770282 2.264598761 1.074472207 1 ACH O1 168 1.858772019 2.338126557 0.989486727 1 ACH O2 169 2.041930288 2.265804808 1.102032354 1 ACH H2 170 2.089054052 2.317178054 1.030338988 1 ACH C1 171 0.363514489 0.966211171 0.978525071 1 ACH C2 172 0.449782252 1.092268575 0.987045813 1 ACH O1 173 0.423075426 1.178517757 1.070564841 1 ACH O2 174 0.556022572 1.111407267 0.904327425 1 ACH H2 175 0.603074444 1.189945355 0.944544104 1 ACH C1 176 2.022346114 1.026183426 1.484170870 1 ACH C2 177 1.969688820 1.143810550 1.401735338 1 ACH O1 178 1.937721621 1.130727068 1.283691056 1 ACH O2 179 1.949738479 1.265706156 1.458648185 1 ACH H2 180 1.916258355 1.323155166 1.383963007 1 ACH C1 181 3.010326828 2.110030682 2.346046373 1 ACH C2 182 2.964705015 2.064254443 2.484719022 1 ACH O1 183 2.885076317 2.132349565 2.549147431 1 ACH O2 184 3.013265078 1.946762904 2.532987081 1 ACH H2 185 3.006800571 1.965962812 2.630905314 1 ACH C1 186 0.751691746 3.143831847 1.123248693 1 ACH C2 187 0.694276922 3.071251393 1.245095461 1 ACH O1 188 0.653603125 3.137179371 1.340640969 1 ACH O2 189 0.684273749 2.935781126 1.238509860 1 ACH H2 190 0.646862944 2.893871647 1.321244622 1 ACH C1 191 0.011113947 2.324584024 2.794863073 1 ACH C2 192 0.037707611 2.384697369 2.656720451 1 ACH O1 193 -0.016363603 2.341382151 2.555096290 1 ACH O2 194 0.141931864 2.471229909 2.644676717 1 ACH H2 195 0.128860486 2.512064867 2.554338224 1 ACH C1 196 1.195039005 2.596252210 1.559319728 1 ACH C2 197 1.261468735 2.510952594 1.667570822 1 ACH O1 198 1.239560281 2.391670402 1.688076265 1 ACH O2 199 1.335433042 2.577791194 1.760065680 1 ACH H2 200 1.333944273 2.516135059 1.838769354 1 ACH C1 201 3.127572319 2.895550225 0.648251501 1 ACH C2 202 3.008348324 2.919892961 0.555506700 1 ACH O1 203 3.011191958 3.006921892 0.468652575 1 ACH O2 204 2.899655907 2.839388477 0.569626232 1 ACH H2 205 2.850705799 2.844518251 0.482588269 1 ACH C1 206 1.196241584 0.258267205 1.056976079 1 ACH C2 207 1.047809589 0.287921196 1.034680084 1 ACH O1 208 1.008864937 0.404508779 1.039207289 1 ACH O2 209 0.964108985 0.181285456 1.023728245 1 ACH H2 210 0.869914853 0.214787727 1.025933170 1 ACH C1 211 3.252859598 2.403880536 0.880754571 1 ACH C2 212 3.332369671 2.417988861 0.750817941 1 ACH O1 213 3.286928948 2.376103195 0.644478916 1 ACH O2 214 3.445828440 2.492970774 0.751486887 1 ACH H2 215 3.458216973 2.491183930 0.652273966 1 ACH C1 216 0.703055040 3.220103781 2.401635497 1 ACH C2 217 0.686138641 3.342751299 2.491514073 1 ACH O1 218 0.657186022 3.452329118 2.443731835 1 ACH O2 219 0.698721711 3.312077399 2.623395829 1 ACH H2 220 0.668057785 3.398846277 2.662513764 1 ACH C1 221 0.152167368 2.803623811 1.812108835 1 ACH C2 222 0.056342624 2.922413288 1.822628043 1 ACH O1 223 0.026160112 2.995120862 1.728129595 1 ACH O2 224 0.009304163 2.954376867 1.946164839 1 ACH H2 225 -0.011890777 3.052091089 1.945420653 1 ACH C1 226 3.372650604 2.047631770 2.488035580 1 ACH C2 227 3.424160966 1.947667905 2.384301965 1 ACH O1 228 3.423450399 1.825077190 2.394287281 1 ACH O2 229 3.477461384 2.006073348 2.273667915 1 ACH H2 230 3.495742242 1.932447437 2.208518610 1 ACH C1 231 0.050703540 2.782050541 0.879285319 1 ACH C2 232 0.035496192 2.878465218 0.761481325 1 ACH O1 233 -0.051037509 2.866413802 0.674912766 1 ACH O2 234 0.107729427 2.993194460 0.772213884 1 ACH H2 235 0.077181763 3.024932726 0.682441084 1 ACH C1 236 3.344790481 0.976471112 0.937402018 1 ACH C2 237 3.448789410 1.086344016 0.960133538 1 ACH O1 238 3.430715159 1.203839753 0.928586134 1 ACH O2 239 3.541540948 1.048937902 1.052293860 1 ACH H2 240 3.611928314 1.119945759 1.050476923 1 ACH C1 241 1.338134650 2.370930899 1.286812647 1 ACH C2 242 1.405264878 2.234882204 1.267082934 1 ACH O1 243 1.341670996 2.129732541 1.272267347 1 ACH O2 244 1.540146346 2.234786712 1.249687328 1 ACH H2 245 1.553776234 2.136045402 1.241725528 1 ACH C1 246 2.302115323 3.259450536 0.001219528 1 ACH C2 247 2.278191308 3.391191742 3.474338388 1 ACH O1 248 2.348177071 3.425379330 3.379150344 1 ACH O2 249 2.170629211 3.465515151 3.511782387 1 ACH H2 250 2.191971905 3.553279576 3.468889649 1 ACH C1 251 1.816455064 3.353359390 0.511192932 1 ACH C2 252 1.902282464 3.455645563 0.436504178 1 ACH O1 253 1.872139417 3.572792447 0.414217436 1 ACH O2 254 2.026608814 3.409068043 0.407057564 1 ACH H2 255 2.059557753 3.471035789 0.335827795 1 ACH C1 256 3.273780856 3.277463940 1.514067971 1 ACH C2 257 3.303540344 3.160710535 1.608362950 1 ACH O1 258 3.256551935 3.149746643 1.721491231 1 ACH O2 259 3.360594042 3.049984068 1.553782736 1 ACH H2 260 3.378898614 2.984716867 1.627304940 1 ACH C1 261 2.926177984 2.876399422 2.394226772 1 ACH C2 262 3.065480241 2.917821901 2.346429087 1 ACH O1 263 3.141789017 2.839322952 2.290371589 1 ACH O2 264 3.099763594 3.044293553 2.382832381 1 ACH H2 265 3.183927933 3.053633814 2.329646632 1 ACH C1 266 1.433165634 0.443606826 3.061976502 1 ACH C2 267 1.476070475 0.297267956 3.049621853 1 ACH O1 268 1.398317189 0.203545069 3.066834848 1 ACH O2 269 1.593120583 0.266420117 2.987638223 1 ACH H2 270 1.594610219 0.166519233 2.991595100 1 ACH C1 271 0.569237513 2.883244728 3.029385889 1 ACH C2 272 0.459312099 2.793221912 3.086102486 1 ACH O1 273 0.346725550 2.782285453 3.037797636 1 ACH O2 274 0.500602153 2.713506677 3.188246228 1 ACH H2 275 0.425263337 2.650942621 3.208521571 1 ACH C1 276 1.176309570 3.028041995 3.341469403 1 ACH C2 277 1.083313899 3.096597804 3.241188025 1 ACH O1 278 1.051455061 3.044310687 3.134518681 1 ACH O2 279 1.009660822 3.198266661 3.293478508 1 ACH H2 280 0.952808656 3.224888865 3.215647273 1 ACH C1 281 0.960628209 2.495854103 3.166742159 1 ACH C2 282 1.071992683 2.403698954 3.116617601 1 ACH O1 283 1.164135939 2.371934836 3.191631812 1 ACH O2 284 1.076260401 2.361063372 2.987545448 1 ACH H2 285 1.145802131 2.290468295 2.974144656 1 ACH C1 286 0.872036924 0.103474830 0.711936448 1 ACH C2 287 0.965970561 0.073281115 0.595007588 1 ACH O1 288 1.086308023 0.086432594 0.616793558 1 ACH O2 289 0.922925196 0.052562125 0.467684618 1 ACH H2 290 1.005577962 0.035052875 0.414195898 1 ACH C1 291 0.967236074 2.959130602 2.831492607 1 ACH C2 292 0.852102922 3.056382584 2.805147709 1 ACH O1 293 0.765304193 3.094614138 2.883442525 1 ACH O2 294 0.873488823 3.118307095 2.685968747 1 ACH H2 295 0.811371692 3.195822265 2.674471566 1 ACH C1 296 2.798404155 1.570359380 1.505186488 1 ACH C2 297 2.793510612 1.438010236 1.428609459 1 ACH O1 298 2.684112182 1.393114798 1.394749113 1 ACH O2 299 2.910501998 1.375320178 1.398966143 1 ACH H2 300 2.893824239 1.282622840 1.365367711 1 ACH C1 301 3.276944491 0.230042577 2.129456874 1 ACH C2 302 3.155121271 0.289415133 2.200467651 1 ACH O1 303 3.040558738 0.276818896 2.157543440 1 ACH O2 304 3.167735475 0.351292770 2.320909412 1 ACH H2 305 3.073343694 0.377357483 2.341129791 1 ACH C1 306 1.883110936 0.958637548 3.085528341 1 ACH C2 307 1.902647784 1.053343663 3.204079646 1 ACH O1 308 2.006254611 1.064622858 3.269394043 1 ACH O2 309 1.809275351 1.152210160 3.202457504 1 ACH H2 310 1.840077765 1.205593815 3.281201092 1 ACH C1 311 2.968892391 3.522453792 1.067656560 1 ACH C2 312 2.975454260 3.380065434 1.012080050 1 ACH O1 313 2.892037357 3.349967182 0.926858049 1 ACH O2 314 3.081256861 3.304089512 1.051184242 1 ACH H2 315 3.076813551 3.236236901 0.977862496 1 ACH C1 316 3.411825623 1.334525323 1.689211805 1 ACH C2 317 0.007391502 1.389473364 1.694127661 1 ACH O1 318 0.037391053 1.503423839 1.658877282 1 ACH O2 319 0.084067945 1.317396454 1.780274449 1 ACH H2 320 0.158366644 1.384019707 1.786624187 1 ACH C1 321 0.644673637 1.179517763 3.500513119 1 ACH C2 322 0.749681740 1.127098517 0.051531125 1 ACH O1 323 0.813668170 1.186816630 0.137949749 1 ACH O2 324 0.796796759 1.005010290 0.014544243 1 ACH H2 325 0.888667099 1.014618972 0.052838805 1 ACH C1 326 0.280267924 1.969467819 1.447741534 1 ACH C2 327 0.155873141 1.942075062 1.362991791 1 ACH O1 328 0.159047426 1.912525605 1.243637493 1 ACH O2 329 0.036425221 1.941337715 1.427982023 1 ACH H2 330 -0.036547015 1.928387321 1.360850035 1 ACH C1 331 3.219711394 1.282603594 1.341255336 1 ACH C2 332 3.322980999 1.172940874 1.368050993 1 ACH O1 333 3.284705718 1.056565651 1.356969408 1 ACH O2 334 3.446450268 1.214814766 1.406701702 1 ACH H2 335 3.507324141 1.135489886 1.405384539 1 ACH C1 336 0.359539853 3.337034189 2.265365524 1 ACH C2 337 0.248434275 3.431581675 2.219284372 1 ACH O1 338 0.249138167 3.466825339 2.101445145 1 ACH O2 339 0.132399500 3.449195706 2.287972374 1 ACH H2 340 0.075881170 3.508582032 2.230720535 1 ACH C1 341 0.298389195 0.450770106 0.070941460 1 ACH C2 342 0.363340199 0.453157659 0.209443044 1 ACH O1 343 0.435167744 0.369023674 0.263210796 1 ACH O2 344 0.367146194 0.573596040 0.272477762 1 ACH H2 345 0.403630191 0.554244607 0.363550471 1 ACH C1 346 0.121250790 0.916300527 0.572090606 1 ACH C2 347 3.545913363 0.826307998 0.589659412 1 ACH O1 348 3.549015034 0.703442211 0.584970935 1 ACH O2 349 3.433488728 0.883689503 0.640292320 1 ACH H2 350 3.379530945 0.803895593 0.667129314 1 ACH C1 351 0.549711735 0.398124339 3.205768380 1 ACH C2 352 0.619371605 0.435107265 3.336864947 1 ACH O1 353 0.720672703 0.377436440 3.376118718 1 ACH O2 354 0.558167094 0.532956640 3.408779634 1 ACH H2 355 0.607481058 0.557898608 3.492120852 1 ACH C1 356 2.636476611 0.628772318 3.268562633 1 ACH C2 357 2.766864713 0.677297181 3.332197827 1 ACH O1 358 2.786610247 0.696395726 3.452084798 1 ACH O2 359 2.866351718 0.681289997 3.239558635 1 ACH H2 360 2.951171240 0.707343320 3.285660663 1 ACH C1 361 0.151103304 3.369194842 1.552368282 1 ACH C2 362 0.100784857 3.356408841 1.696288747 1 ACH O1 363 -0.020304438 3.356236272 1.717946217 1 ACH O2 364 0.191237689 3.360091299 1.797768337 1 ACH H2 365 0.137197140 3.355101364 1.881759514 1 ACH C1 366 0.574149645 2.691357357 0.911724632 1 ACH C2 367 0.491729889 2.801297860 0.979019484 1 ACH O1 368 0.401328308 2.778097529 1.059114127 1 ACH O2 369 0.503236535 2.928047663 0.931097671 1 ACH H2 370 0.432981461 2.973867495 0.985533448 1 ACH C1 371 0.574369336 1.325030955 1.732754790 1 ACH C2 372 0.627123867 1.429564874 1.634284245 1 ACH O1 373 0.567797071 1.531929562 1.600661386 1 ACH O2 374 0.757704230 1.405085693 1.605263127 1 ACH H2 375 0.780600569 1.473115926 1.535646280 1 ACH C1 376 1.321995033 0.897341401 1.940247966 1 ACH C2 377 1.204097652 0.946902297 2.024218712 1 ACH O1 378 1.096003151 0.889782415 2.037694345 1 ACH O2 379 1.209019274 1.077356614 2.062308308 1 ACH H2 380 1.123340115 1.073508615 2.113710167 1 ACH C1 381 1.148114129 3.210094528 2.192058907 1 ACH C2 382 1.031317386 3.227526421 2.094786463 1 ACH O1 383 0.946918594 3.140197245 2.075314590 1 ACH O2 384 1.036990344 3.334891677 2.011516705 1 ACH H2 385 0.945772825 3.319861483 1.973402978 1 ACH C1 386 1.153374037 2.308670431 2.637531140 1 ACH C2 387 1.074909355 2.217501107 2.542987599 1 ACH O1 388 1.072969465 2.236043902 2.421410066 1 ACH O2 389 1.001942967 2.119963727 2.603443673 1 ACH H2 390 0.938645350 2.093583780 2.530664638 1 ACH C1 391 3.064631698 0.590612331 0.527107300 1 ACH C2 392 3.160630641 0.566299251 0.643738536 1 ACH O1 393 3.139615562 0.463682626 0.708222509 1 ACH O2 394 3.260239552 0.653585370 0.674638781 1 ACH H2 395 3.306749354 0.617365633 0.755417454 1 ACH C1 396 0.015783064 2.324247095 1.430874625 1 ACH C2 397 3.537278869 2.270692439 1.289876233 1 ACH O1 398 3.432872231 2.215574526 1.255398404 1 ACH O2 399 3.655270163 2.276074715 1.222461750 1 ACH H2 400 3.618889826 2.260476354 1.130641151 1 ACH C1 401 3.076034965 1.444148260 1.057731025 1 ACH C2 402 3.038993721 1.307490309 0.999770064 1 ACH O1 403 2.922656264 1.287804228 0.965031767 1 ACH O2 404 3.125634490 1.204435707 0.980662963 1 ACH H2 405 3.070144609 1.133747787 0.936812296 1 ACH C1 406 0.703914092 3.317792982 0.442138642 1 ACH C2 407 0.566023241 3.335988347 0.378401671 1 ACH O1 408 0.464071597 3.330279401 0.446972546 1 ACH O2 409 0.568080206 3.333805366 0.242445415 1 ACH H2 410 0.470624745 3.334691831 0.220052358 1 ACH C1 411 1.602578448 0.040802577 0.949199497 1 ACH C2 412 1.650262911 0.102857607 0.817744376 1 ACH O1 413 1.650244117 0.223488329 0.793751622 1 ACH O2 414 1.720327678 0.012907847 0.743612090 1 ACH H2 415 1.729254880 0.060203362 0.655963055 1 ACH C1 416 3.407113630 1.644900938 1.440641802 1 ACH C2 417 3.271608270 1.693189260 1.492736517 1 ACH O1 418 3.198796425 1.622528029 1.562264357 1 ACH O2 419 3.216296238 1.800477537 1.430100849 1 ACH H2 420 3.127850090 1.808553706 1.476036737 1 ACH C1 421 3.255405329 2.856808945 2.013723532 1 ACH C2 422 3.350151741 2.742586285 2.050915664 1 ACH O1 423 3.340673328 2.631446359 1.999081587 1 ACH O2 424 3.436575285 2.781723854 2.148342113 1 ACH H2 425 3.496648606 2.701905418 2.152815556 1 ACH C1 426 0.481424429 0.062229416 1.535272139 1 ACH C2 427 0.570402484 0.103724714 1.417941180 1 ACH O1 428 0.550860351 0.205483743 1.351678458 1 ACH O2 429 0.684229939 0.029567302 1.411647102 1 ACH H2 430 0.723442917 0.067755997 1.327962264 1 ACH C1 431 2.876190625 1.268194496 2.965264567 1 ACH C2 432 2.796308338 1.395528846 2.936745951 1 ACH O1 433 2.784914848 1.433071474 2.820163518 1 ACH O2 434 2.747692881 1.464509629 3.043387294 1 ACH H2 435 2.690321118 1.539260439 3.009911997 1 ACH C1 436 3.094793836 2.623456595 3.472067126 1 ACH C2 437 3.188404116 2.528715808 0.000238634 1 ACH O1 438 3.175899126 2.406369812 0.002420704 1 ACH O2 439 3.286327085 2.595972113 0.066464173 1 ACH H2 440 3.344987556 2.523221195 0.102051819 1 ACH C1 441 2.274316154 2.107130867 0.795009921 1 ACH C2 442 2.356844181 1.984269883 0.833757987 1 ACH O1 443 2.431657473 1.969473601 0.930260506 1 ACH O2 444 2.348405407 1.885705008 0.740444664 1 ACH H2 445 2.399288977 1.813448265 0.787229300 1 ACH C1 446 0.965365428 3.478834623 1.252595739 1 ACH C2 447 1.089015584 3.538796295 1.319821426 1 ACH O1 448 1.181981134 3.463842734 1.349260728 1 ACH O2 449 1.106013930 3.672392166 1.338763293 1 ACH H2 450 1.198941407 3.675473615 1.375570725 1 ACH C1 451 2.049412872 1.670024227 1.558634757 1 ACH C2 452 2.043031170 1.756714941 1.684527670 1 ACH O1 453 2.127498902 1.840934024 1.714525508 1 ACH O2 454 1.948027046 1.716814797 1.773284764 1 ACH H2 455 1.956683347 1.774933405 1.854190570 1 ACH C1 456 0.122241274 2.956646294 1.184998731 1 ACH C2 457 0.034630458 2.939477255 1.309235194 1 ACH O1 458 -0.036347442 2.843265321 1.338097560 1 ACH O2 459 0.039930727 3.047537371 1.391639958 1 ACH H2 460 -0.032570195 3.034074364 1.459175198 1 ACH C1 461 1.717179337 2.826027659 2.328356511 1 ACH C2 462 1.617181475 2.867246906 2.436550269 1 ACH O1 463 1.578787179 2.981818110 2.459501140 1 ACH O2 464 1.590205502 2.766613051 2.523961660 1 ACH H2 465 1.505642188 2.797354183 2.567580627 1 ACH C1 466 3.513787567 1.366763599 2.515250237 1 ACH C2 467 0.031865212 1.490966504 2.454204660 1 ACH O1 468 0.125017868 1.556661259 2.500404360 1 ACH O2 469 -0.020167877 1.535981262 2.336893722 1 ACH H2 470 0.013277599 1.628824807 2.320775230 1 ACH C1 471 0.532093385 2.423221475 2.933528243 1 ACH C2 472 0.428044403 2.480276949 2.836959610 1 ACH O1 473 0.450731696 2.526590385 2.725294722 1 ACH O2 474 0.297792116 2.450781341 2.862599977 1 ACH H2 475 0.263457801 2.475443851 2.771980769 1 ACH C1 476 0.142835147 2.089937349 0.506094588 1 ACH C2 477 0.021557075 2.167184466 0.453829125 1 ACH O1 478 0.012847582 2.289862399 0.452107423 1 ACH O2 479 -0.077454806 2.085322144 0.409241197 1 ACH H2 480 -0.151619069 2.148732317 0.387366566 1 ACH C1 481 2.868650875 2.600195166 0.323037144 1 ACH C2 482 2.756817195 2.703717726 0.309441697 1 ACH O1 483 2.637632034 2.673895455 0.303382266 1 ACH O2 484 2.806863846 2.829984366 0.302570319 1 ACH H2 485 2.733450154 2.897674010 0.297246769 1 ACH C1 486 1.892200871 1.820066575 0.103716118 1 ACH C2 487 1.964539921 1.951162710 0.072245351 1 ACH O1 488 2.085314815 1.956154704 0.094987376 1 ACH O2 489 1.899886327 2.064855111 0.034994008 1 ACH H2 490 1.976623199 2.128819305 0.030540555 1 ACH C1 491 2.744777899 1.929187060 3.467224720 1 ACH C2 492 2.840144134 1.857329143 0.015748309 1 ACH O1 493 2.955177032 1.897717538 0.032024197 1 ACH O2 494 2.798726955 1.753371289 0.093015906 1 ACH H2 495 2.881174390 1.749496084 0.149461976 1 ACH C1 496 2.685597212 2.325091235 1.449265042 1 ACH C2 497 2.626011608 2.371709284 1.582237371 1 ACH O1 498 2.538147590 2.457621327 1.577064947 1 ACH O2 499 2.617365822 2.283707757 1.685565046 1 ACH H2 500 2.593309801 2.350199705 1.756269542 1 ACH C1 501 1.113517307 1.416855058 2.553645802 1 ACH C2 502 1.177073406 1.546750221 2.603587604 1 ACH O1 503 1.214760045 1.571311390 2.718065380 1 ACH O2 504 1.214105392 1.621358952 2.496097545 1 ACH H2 505 1.268774674 1.690200985 2.543758046 1 ACH C1 506 1.114040727 2.766065181 2.588042280 1 ACH C2 507 1.260960364 2.749941502 2.548556769 1 ACH O1 508 1.339288124 2.844522471 2.541721301 1 ACH O2 509 1.298483739 2.632292301 2.491581153 1 ACH H2 510 1.388525026 2.635508362 2.448198878 1 ACH C1 511 3.026342032 2.055803446 3.230194000 1 ACH C2 512 3.090766211 2.165410616 3.315298442 1 ACH O1 513 3.138594130 2.268501602 3.268251300 1 ACH O2 514 3.084756617 2.144394021 3.449517552 1 ACH H2 515 3.142132643 2.216047137 3.489179349 1 ACH C1 516 0.941710164 1.685093239 0.833283019 1 ACH C2 517 0.813315841 1.698858662 0.751202029 1 ACH O1 518 0.708153646 1.666041680 0.805921066 1 ACH O2 519 0.829795541 1.755851711 0.628826219 1 ACH H2 520 0.737926838 1.760221325 0.589553744 1 ACH C1 521 2.258020317 0.373594621 1.946703184 1 ACH C2 522 2.194129260 0.512219498 1.956981708 1 ACH O1 523 2.102852860 0.536574841 2.035738612 1 ACH O2 524 2.247672603 0.607037696 1.875506272 1 ACH H2 525 2.185131027 0.681348335 1.899295451 1 ACH C1 526 3.203391635 1.824087145 1.101385032 1 ACH C2 527 3.306081776 1.929490023 1.143259795 1 ACH O1 528 3.391548038 1.905240567 1.228307904 1 ACH O2 529 3.286947508 2.054597043 1.093496410 1 ACH H2 530 3.342340912 2.111478147 1.154300618 1 ACH C1 531 2.869816714 3.276759237 1.378577114 1 ACH C2 532 2.914350485 3.233063989 1.518276778 1 ACH O1 533 3.010058330 3.158972958 1.540102417 1 ACH O2 534 2.845069755 3.292090838 1.619324632 1 ACH H2 535 2.889280364 3.258782759 1.702605738 1 ACH C1 536 2.891804233 2.241972947 1.861327302 1 ACH C2 537 2.926547754 2.282952285 1.718084941 1 ACH O1 538 2.959488764 2.205068777 1.628766719 1 ACH O2 539 2.925749665 2.417145571 1.696077203 1 ACH H2 540 2.963670397 2.436762071 1.605650386 1 ACH C1 541 3.272407248 2.144398799 1.535783143 1 ACH C2 542 3.353899448 2.091452230 1.653952317 1 ACH O1 543 3.457006830 2.145083358 1.694217262 1 ACH O2 544 3.298109739 1.981948917 1.712170228 1 ACH H2 545 3.368336618 1.942811441 1.771636543 1 ACH C1 546 2.292160310 2.394763899 2.022423972 1 ACH C2 547 2.408308702 2.302783371 2.060639626 1 ACH O1 548 2.389002839 2.217927379 2.147568219 1 ACH O2 549 2.503469044 2.291787005 1.964103540 1 ACH H2 550 2.578068296 2.240614638 2.006742332 1 ACH C1 551 1.575209354 2.311891934 0.898647058 1 ACH C2 552 1.449305289 2.226124911 0.884614693 1 ACH O1 553 1.444739689 2.124672657 0.815231057 1 ACH O2 554 1.335688810 2.278475575 0.937965705 1 ACH H2 555 1.263158364 2.211425092 0.922417079 1 ACH C1 556 0.774030806 2.504098976 2.324429998 1 ACH C2 557 0.621300907 2.509007665 2.316947021 1 ACH O1 558 0.554006180 2.608147631 2.289173255 1 ACH O2 559 0.554777707 2.396443385 2.354309272 1 ACH H2 560 0.456285387 2.413388778 2.351133487 1 ACH C1 561 1.104868048 1.566477442 2.142664255 1 ACH C2 562 1.162512187 1.425498849 2.128301018 1 ACH O1 563 1.113056526 1.329276910 2.186805354 1 ACH O2 564 1.264727629 1.405404521 2.040871913 1 ACH H2 565 1.268544239 1.305562339 2.044837283 1 ACH C1 566 0.551447801 2.102195980 2.751848638 1 ACH C2 567 0.535378951 2.164023850 2.612831365 1 ACH O1 568 0.455934547 2.125665788 2.527122902 1 ACH O2 569 0.612702517 2.273807951 2.591365792 1 ACH H2 570 0.605499516 2.302524473 2.495854223 1 ACH C1 571 1.168359391 2.537506525 0.481126229 1 ACH C2 572 1.315922801 2.573920518 0.498614617 1 ACH O1 573 1.352874470 2.664445212 0.573237327 1 ACH O2 574 1.406532945 2.525029024 0.409780627 1 ACH H2 575 1.491368388 2.552064922 0.455291401 1 ACH C1 576 1.439466176 2.669360713 0.929292197 1 ACH C2 577 1.485919388 2.806371461 0.979078558 1 ACH O1 578 1.599521386 2.848561092 0.958095333 1 ACH O2 579 1.388404708 2.894560241 1.013836161 1 ACH H2 580 1.444629932 2.972623021 1.041101452 1 ACH C1 581 0.813959556 2.552353918 2.700930999 1 ACH C2 582 0.711296275 2.665342179 2.690889322 1 ACH O1 583 0.673154069 2.738620346 2.782016580 1 ACH O2 584 0.682641554 2.705219703 2.564075061 1 ACH H2 585 0.609303242 2.773189810 2.563422546 1 ACH C1 586 0.258469760 3.204769908 3.428750424 1 ACH C2 587 0.224178523 3.224074086 0.029469215 1 ACH O1 588 0.107389463 3.222638686 0.068030206 1 ACH O2 589 0.319596049 3.219157327 0.126234279 1 ACH H2 590 0.272453574 3.222670274 0.214347975 1 ACH C1 591 0.443392337 3.238576319 2.880033336 1 ACH C2 592 0.506006786 3.324443232 2.990092317 1 ACH O1 593 0.624637888 3.344571166 3.015591784 1 ACH O2 594 0.410580980 3.360095152 3.080177280 1 ACH H2 595 0.458643598 3.401892814 3.157263907 1 ACH C1 596 0.645273345 3.497520502 1.003460857 1 ACH C2 597 0.564957440 3.510886066 0.873943387 1 ACH O1 598 0.588946149 3.456501130 0.766267291 1 ACH O2 599 0.438610813 3.553351595 0.900940347 1 ACH H2 600 0.390412123 3.533871253 0.815524043 1 ACH C1 601 3.486577704 1.573383932 0.268748628 1 ACH C2 602 0.047796479 1.640258606 0.353578667 1 ACH O1 603 0.141976142 1.695903458 0.297342234 1 ACH O2 604 0.023725088 1.638820014 0.487410552 1 ACH H2 605 0.105836049 1.677933581 0.528961869 1 ACH C1 606 3.356193244 0.864240617 1.793874692 1 ACH C2 607 3.462330382 0.972718023 1.813161470 1 ACH O1 608 3.525308313 1.015928552 1.716757761 1 ACH O2 609 3.504980883 0.980627714 1.942056770 1 ACH H2 610 3.562446518 1.062243748 1.936116126 1 ACH C1 611 2.722102817 1.974332675 1.289329327 1 ACH C2 612 2.644668700 1.977358804 1.157412036 1 ACH O1 613 2.697913615 2.009196358 1.051204485 1 ACH O2 614 2.532729937 1.900214469 1.153978534 1 ACH H2 615 2.487152108 1.910127988 1.065528219 1 ACH C1 616 1.075901467 0.432712311 1.946897826 1 ACH C2 617 1.065218495 0.585323306 1.946260651 1 ACH O1 618 1.081182748 0.655112219 1.846243920 1 ACH O2 619 1.026304569 0.639499851 2.064768377 1 ACH H2 620 1.035003049 0.737049392 2.044563840 1 ACH C1 621 2.677247809 1.198174429 2.609562747 1 ACH C2 622 2.525398224 1.182255138 2.599723668 1 ACH O1 623 2.448345844 1.271059113 2.635815120 1 ACH O2 624 2.482493587 1.059861040 2.558815225 1 ACH H2 625 2.385721461 1.083832552 2.566551330 1 ACH C1 626 3.049377439 0.023004452 3.467145225 1 ACH C2 627 3.013907867 3.430481957 3.518594215 1 ACH O1 628 3.023257825 3.332668107 3.444609596 1 ACH O2 629 2.981300220 3.413862534 3.649563651 1 ACH H2 630 2.968789794 3.314811502 3.655274034 1 ACH C1 631 0.772477850 0.700747637 0.284250091 1 ACH C2 632 0.716470335 0.561370730 0.255200183 1 ACH O1 633 0.679550890 0.482477459 0.342042000 1 ACH O2 634 0.687692294 0.535324188 0.124871846 1 ACH H2 635 0.641612230 0.446642389 0.128231622 1 ACH C1 636 3.399987749 0.651325204 0.266711773 1 ACH C2 637 3.519491752 0.711744489 0.192717419 1 ACH O1 638 3.584900480 0.806428260 0.236138344 1 ACH O2 639 3.570677178 0.636679402 0.091536661 1 ACH H2 640 3.660189772 0.674661442 0.068198741 1 ACH C1 641 0.236723813 2.442926511 0.688347391 1 ACH C2 642 0.367045330 2.415608551 0.613011683 1 ACH O1 643 0.388194420 2.296779181 0.589358858 1 ACH O2 644 0.440120735 2.524933356 0.578317317 1 ACH H2 645 0.516429956 2.479348310 0.532508521 1 ACH C1 646 1.213665098 0.899060329 1.445290364 1 ACH C2 647 1.192421306 0.796639253 1.556938732 1 ACH O1 648 1.241388827 0.683951216 1.562620560 1 ACH O2 649 1.110429166 0.838881873 1.656864149 1 ACH H2 650 1.107408061 0.762385566 1.721193451 1 ACH C1 651 0.141268141 0.873540170 1.256676431 1 ACH C2 652 0.065655133 0.867057751 1.389526647 1 ACH O1 653 0.066678847 0.760249111 1.450512137 1 ACH O2 654 0.016207417 0.982523570 1.441642117 1 ACH H2 655 0.022194272 0.971678424 1.540870837 1 ACH C1 656 1.385282703 1.392132246 1.417092601 1 ACH C2 657 1.499500036 1.301634569 1.370450034 1 ACH O1 658 1.553844979 1.223890144 1.448751542 1 ACH O2 659 1.536715086 1.310135099 1.239922332 1 ACH H2 660 1.603511373 1.235737524 1.238174012 1 ACH C1 661 0.828586229 0.377307372 2.572516920 1 ACH C2 662 0.972615842 0.351095792 2.616936077 1 ACH O1 663 1.067911236 0.357990608 2.539485182 1 ACH O2 664 0.989997098 0.305476673 2.743870764 1 ACH H2 665 1.085260053 0.275089331 2.744255353 1 ACH C1 666 3.409053997 1.204070117 0.504797605 1 ACH C2 667 3.425972645 1.162310065 0.358595532 1 ACH O1 668 3.475781525 1.053839998 0.328913530 1 ACH O2 669 3.348662961 1.222941228 0.264559891 1 ACH H2 670 3.383819778 1.177372672 0.182789119 1 ACH C1 671 0.306729190 2.828658141 2.641998865 1 ACH C2 672 0.368986899 2.913165623 2.530699016 1 ACH O1 673 0.322405707 3.018632168 2.487868216 1 ACH O2 674 0.494794591 2.868967733 2.503967049 1 ACH H2 675 0.509519341 2.887776405 2.406869018 1 ACH C1 676 3.207217179 3.508250571 0.761985753 1 ACH C2 677 3.221637277 0.110719975 0.733390585 1 ACH O1 678 3.328924966 0.169761333 0.721948004 1 ACH O2 679 3.105293179 0.180985311 0.738129798 1 ACH H2 680 3.134370069 0.269772088 0.702489422 1 ACH C1 681 0.194702455 1.275350923 0.240856241 1 ACH C2 682 0.345962157 1.257907369 0.255737707 1 ACH O1 683 0.428145352 1.261495300 0.164301488 1 ACH O2 684 0.378815057 1.248304508 0.387358749 1 ACH H2 685 0.478437331 1.245133827 0.379300974 1 ACH C1 686 1.108197285 3.327183708 2.547554051 1 ACH C2 687 1.030370317 3.455158377 2.516361982 1 ACH O1 688 1.025707891 3.547277174 2.597739323 1 ACH O2 689 0.967150638 3.452787076 2.395973960 1 ACH H2 690 0.910738212 3.534491733 2.384043302 1 ACH C1 691 0.782583401 1.478193404 0.388982204 1 ACH C2 692 0.758762200 1.327089068 0.391639340 1 ACH O1 693 0.644905475 1.280769355 0.387186798 1 ACH O2 694 0.866261122 1.246137582 0.411211316 1 ACH H2 695 0.810198673 1.164276548 0.398740959 1 ACH C1 696 0.221455562 2.627458774 0.266808387 1 ACH C2 697 0.255340337 2.516473600 0.167104856 1 ACH O1 698 0.172029747 2.454743987 0.100942213 1 ACH O2 699 0.383588942 2.471274844 0.165853475 1 ACH H2 700 0.395497992 2.415644336 0.083620406 1 ACH C1 701 0.715105494 0.472837036 2.124876855 1 ACH C2 702 0.579425522 0.540239696 2.146173056 1 ACH O1 703 0.555796026 0.656954281 2.115399671 1 ACH O2 704 0.494792999 0.467779141 2.224162996 1 ACH H2 705 0.414630560 0.526378266 2.235908851 1 ACH C1 706 3.122264782 1.841619006 2.871009856 1 ACH C2 707 2.969412247 1.846770414 2.874855379 1 ACH O1 708 2.898122834 1.768177730 2.937053752 1 ACH O2 709 2.911806105 1.946927135 2.803121214 1 ACH H2 710 2.816921286 1.915648606 2.798872147 1 ACH C1 711 3.404052942 1.742690532 3.479658911 1 ACH C2 712 3.276423286 1.821779869 3.450320861 1 ACH O1 713 3.260334772 1.868040930 3.337500859 1 ACH O2 714 3.179441660 1.804674737 3.544116413 1 ACH H2 715 3.106109331 1.867629517 3.518477656 1 ACH C1 716 1.675909185 0.692516871 0.408946957 1 ACH C2 717 1.556998774 0.762512057 0.475015607 1 ACH O1 718 1.547176960 0.780023146 0.596358799 1 ACH O2 719 1.462971901 0.821392762 0.396354073 1 ACH H2 720 1.382397593 0.844178973 0.451013738 1 ACH C1 721 0.252714409 1.423113818 2.029045019 1 ACH C2 722 0.340589578 1.518754766 1.948179133 1 ACH O1 723 0.452968577 1.556062491 1.981422561 1 ACH O2 724 0.304874785 1.524459361 1.817081246 1 ACH H2 725 0.365119001 1.599463153 1.789804892 1 ACH C1 726 1.866432761 1.373135016 0.538997945 1 ACH C2 727 1.893661318 1.523519560 0.545869447 1 ACH O1 728 1.993569990 1.578708293 0.500045264 1 ACH O2 729 1.786779971 1.601472537 0.577418424 1 ACH H2 730 1.833270401 1.689671664 0.585096854 1 ACH C1 731 1.318099870 3.448897984 0.716283219 1 ACH C2 732 1.215697379 3.372195312 0.632407979 1 ACH O1 733 1.101147435 3.342714860 0.666124259 1 ACH O2 734 1.262110521 3.321420645 0.515090545 1 ACH H2 735 1.191323051 3.264322229 0.473532257 1 ACH C1 736 1.344090823 0.894804084 0.849582113 1 ACH C2 737 1.205228351 0.830827989 0.844001787 1 ACH O1 738 1.095925233 0.879200146 0.814990450 1 ACH O2 739 1.197731654 0.700550484 0.882274724 1 ACH H2 740 1.098470208 0.689406155 0.886910963 1 ACH C1 741 2.409739241 1.609664625 1.541536671 1 ACH C2 742 2.438186924 1.664371768 1.401519107 1 ACH O1 743 2.432661806 1.604316240 1.294320687 1 ACH O2 744 2.487020337 1.791126463 1.395046253 1 ACH H2 745 2.493605066 1.802422417 1.295911912 1 ACH C1 746 1.102636310 3.156867064 0.933123694 1 ACH C2 747 1.212543246 3.083063957 0.856454865 1 ACH O1 748 1.315911762 3.146355576 0.835564468 1 ACH O2 749 1.201871422 2.953269205 0.817275002 1 ACH H2 750 1.286880993 2.960994241 0.765184663 1 ACH C1 751 2.787926585 0.586655286 0.293910324 1 ACH C2 752 2.865847964 0.701630649 0.229753568 1 ACH O1 753 2.988218263 0.699674616 0.217490670 1 ACH O2 754 2.799199884 0.804525023 0.170901067 1 ACH H2 755 2.863867279 0.871270017 0.133993800 1 ACH C1 756 3.388720557 1.652649479 0.726286722 1 ACH C2 757 3.406589255 1.509295828 0.776661462 1 ACH O1 758 3.519505321 1.473534416 0.809824369 1 ACH O2 759 3.307461274 1.417413112 0.761702519 1 ACH H2 760 3.331435051 1.337148923 0.816316769 1 ACH C1 761 0.528468399 1.711980100 3.027844406 1 ACH C2 762 0.675131736 1.738197599 2.993067972 1 ACH O1 763 0.776301577 1.719465160 3.060465699 1 ACH O2 764 0.696113827 1.784557649 2.866957455 1 ACH H2 765 0.795647589 1.779037218 2.859149818 1 ACH C1 766 0.717898741 2.121141445 2.120162854 1 ACH C2 767 0.829439134 2.134847558 2.223981313 1 ACH O1 768 0.805780258 2.110874924 2.342278672 1 ACH O2 769 0.942412477 2.204052073 2.193305889 1 ACH H2 770 0.997301128 2.209098656 2.276737273 1 ACH C1 771 1.178107815 2.832785227 1.214804404 1 ACH C2 772 1.029156637 2.841617687 1.248573420 1 ACH O1 773 0.990248789 2.848413541 1.365052364 1 ACH O2 774 0.950847837 2.794413902 1.147899881 1 ACH H2 775 0.860041713 2.792798981 1.189735394 1 ACH C1 776 1.653691442 1.811479176 0.989098179 1 ACH C2 777 1.534147161 1.887372109 1.047046046 1 ACH O1 778 1.543554873 1.962079421 1.144290057 1 ACH O2 779 1.411272188 1.867082862 0.992414643 1 ACH H2 780 1.369015757 1.953713345 1.019030026 1 ACH C1 781 2.581454322 3.024563453 1.499780292 1 ACH C2 782 2.607803646 2.954511506 1.633220412 1 ACH O1 783 2.589954897 3.012171727 1.740390449 1 ACH O2 784 2.659533655 2.828822957 1.628214960 1 ACH H2 785 2.675176466 2.790290426 1.719156407 1 ACH C1 786 0.225945661 1.835907115 2.730187917 1 ACH C2 787 0.203586334 1.949559746 2.630245816 1 ACH O1 788 0.160018900 2.056100502 2.673587436 1 ACH O2 789 0.189512025 1.919200835 2.498428226 1 ACH H2 790 0.188008293 2.010252417 2.457124957 1 ACH C1 791 3.151568895 0.952472045 0.333090343 1 ACH C2 792 3.164409576 0.959017214 0.180785808 1 ACH O1 793 3.265659136 0.923350987 0.120753495 1 ACH O2 794 3.051333809 0.975091433 0.106954125 1 ACH H2 795 3.092813541 0.985875546 0.016609050 1 ACH C1 796 3.178393822 1.795061167 0.363567060 1 ACH C2 797 3.035246049 1.742006433 0.373486339 1 ACH O1 798 2.966310190 1.714140341 0.275512788 1 ACH O2 799 2.974426734 1.747445119 0.495006125 1 ACH H2 800 2.885157385 1.704343323 0.481867953 1 ACH C1 801 1.910762530 0.374324567 1.001076343 1 ACH C2 802 2.013502241 0.316824069 1.098777208 1 ACH O1 803 2.120522324 0.375257551 1.114930375 1 ACH O2 804 1.977171982 0.199542171 1.157239047 1 ACH H2 805 2.040584898 0.203270877 1.234468492 1 ACH C1 806 1.420150442 2.141266876 0.424484365 1 ACH C2 807 1.467550133 2.196790880 0.290038505 1 ACH O1 808 1.396205646 2.257332877 0.210212234 1 ACH O2 809 1.601420987 2.183427932 0.270147478 1 ACH H2 810 1.611444156 2.203108117 0.172622433 1 ACH C1 811 0.331714275 1.708481883 0.932327243 1 ACH C2 812 0.417838775 1.834154068 0.918404388 1 ACH O1 813 0.458801019 1.892707742 1.018509233 1 ACH O2 814 0.463267947 1.868958169 0.795033031 1 ACH H2 815 0.509481446 1.955668351 0.813587417 1 ACH C1 816 0.422027639 0.077713240 2.542159799 1 ACH C2 817 0.451363002 0.170030209 2.423730321 1 ACH O1 818 0.439542495 0.140504409 2.304927176 1 ACH O2 819 0.514333847 0.288524031 2.445821981 1 ACH H2 820 0.531917171 0.326342372 2.354935249 1 ACH C1 821 1.091167886 2.170126100 1.568452909 1 ACH C2 822 1.015568213 2.046975706 1.518228141 1 ACH O1 823 0.943199985 2.052400510 1.418928479 1 ACH O2 824 1.052712035 1.930191215 1.577197168 1 ACH H2 825 1.007546997 1.863853746 1.517548546 1 ACH C1 826 1.385262340 3.060297256 2.809281422 1 ACH C2 827 1.491777070 2.955627349 2.842512384 1 ACH O1 828 1.493398123 2.842133749 2.795140171 1 ACH O2 829 1.560075635 2.991539953 2.954499963 1 ACH H2 830 1.616239886 2.909700057 2.966584570 1 ACH C1 831 1.400162434 1.705045351 3.309522160 1 ACH C2 832 1.456746733 1.579208495 3.375610070 1 ACH O1 833 1.429748353 1.550477875 3.492113033 1 ACH O2 834 1.567294618 1.525789525 3.317118997 1 ACH H2 835 1.581549551 1.444720837 3.373892353 1 ACH C1 836 2.830386234 3.020281764 1.075399356 1 ACH C2 837 2.911729687 3.000951647 0.947282710 1 ACH O1 838 3.008011872 3.068510471 0.911325200 1 ACH O2 839 2.858194979 2.914315284 0.857150570 1 ACH H2 840 2.907045510 2.930152707 0.771352930 1 ACH C1 841 0.830991365 2.436015087 0.358360891 1 ACH C2 842 0.685912132 2.449878810 0.311841313 1 ACH O1 843 0.592804226 2.423330150 0.387691167 1 ACH O2 844 0.668510513 2.504484219 0.188508187 1 ACH H2 845 0.569419629 2.515149675 0.196707370 1 ACH C1 846 2.530585607 0.029421887 2.068492339 1 ACH C2 847 2.424671140 0.071685799 2.170500521 1 ACH O1 848 2.420216593 0.188352305 2.209201659 1 ACH O2 849 2.323925134 -0.012049699 2.206996919 1 ACH H2 850 2.285770808 0.021041037 2.293304792 1 ACH C1 851 1.499414564 3.047735166 2.152514963 1 ACH C2 852 1.540403242 3.195007381 2.146497779 1 ACH O1 853 1.488556092 3.278412646 2.220544990 1 ACH O2 854 1.645953835 3.222704593 2.065333973 1 ACH H2 855 1.647072885 3.322221105 2.055593075 1 ACH C1 856 0.390972850 3.012538640 1.532933515 1 ACH C2 857 0.525111977 2.943063036 1.557122413 1 ACH O1 858 0.587476755 2.894749227 1.462761094 1 ACH O2 859 0.573020641 2.922433425 1.682720207 1 ACH H2 860 0.665925697 2.885971610 1.676510181 1 ACH C1 861 0.567487522 0.126778846 2.853582238 1 ACH C2 862 0.712022585 0.077793214 2.842754316 1 ACH O1 863 0.784887864 0.074677544 2.941797936 1 ACH O2 864 0.749645713 0.016218232 2.727489586 1 ACH H2 865 0.844882981 -0.009495947 2.743844719 1 ACH C1 866 0.168451322 1.948516880 3.225582551 1 ACH C2 867 0.297829014 2.002343820 3.164188617 1 ACH O1 868 0.336223219 1.968411423 3.052376014 1 ACH O2 869 0.376405065 2.080741330 3.242771448 1 ACH H2 870 0.458540091 2.080654020 3.185726506 1 ACH C1 871 1.173008014 1.951929628 2.907432877 1 ACH C2 872 1.080246330 1.883536771 2.806823860 1 ACH O1 873 0.973479679 1.837653794 2.847108472 1 ACH O2 874 1.119250619 1.869378219 2.677310047 1 ACH H2 875 1.026952577 1.855963383 2.641249471 1 ACH C1 876 1.101586484 2.819278019 2.185882531 1 ACH C2 877 1.074161936 2.847406994 2.038019498 1 ACH O1 878 0.969325598 2.812294021 1.984120368 1 ACH O2 879 1.163801816 2.915620805 1.961837894 1 ACH H2 880 1.133642050 2.890809475 1.869783557 1 ACH C1 881 1.036563220 2.931877804 0.324700916 1 ACH C2 882 0.998863038 3.048588012 0.416159209 1 ACH O1 883 1.077933354 3.138596198 0.443999941 1 ACH O2 884 0.878143318 3.041063203 0.478308277 1 ACH H2 885 0.873755953 3.116549478 0.543750596 1 ACH C1 886 0.064168354 3.442890735 0.743102963 1 ACH C2 887 0.178033470 3.425147825 0.642468989 1 ACH O1 888 0.154182130 3.374212773 0.533082386 1 ACH O2 889 0.302670320 3.471217351 0.671385569 1 ACH H2 890 0.361622528 3.437125100 0.598163788 1 ACH C1 891 0.281765599 1.012208163 1.672513409 1 ACH C2 892 0.388618538 0.952992707 1.764616628 1 ACH O1 893 0.496407632 0.916397192 1.718022912 1 ACH O2 894 0.377615250 0.976127400 1.898168926 1 ACH H2 895 0.455882237 0.925201411 1.933946217 1 ACH C1 896 2.124463896 2.979723721 1.466791069 1 ACH C2 897 1.989560625 2.909057989 1.481439282 1 ACH O1 898 1.884043105 2.963872843 1.512904813 1 ACH O2 899 1.993899246 2.781968009 1.433244950 1 ACH H2 900 1.895358947 2.767995116 1.442959166 1 ACH C1 901 1.635532932 2.762267732 1.859421727 1 ACH C2 902 1.499003454 2.831307374 1.859873225 1 ACH O1 903 1.466990021 2.906612132 1.768041703 1 ACH O2 904 1.416766953 2.798828940 1.963194400 1 ACH H2 905 1.341868224 2.864880252 1.957978761 1 ACH C1 906 1.802318519 2.513725055 2.064876914 1 ACH C2 907 1.722656018 2.417207076 2.152883470 1 ACH O1 908 1.638035414 2.337531152 2.112636789 1 ACH O2 909 1.732281570 2.431859569 2.287737570 1 ACH H2 910 1.663322021 2.363720477 2.312240064 1 ACH C1 911 1.892742620 2.518608020 3.344387919 1 ACH C2 912 1.766323492 2.523248388 3.258360080 1 ACH O1 913 1.688597521 2.616758363 3.276845010 1 ACH O2 914 1.757434884 2.444313199 3.147970518 1 ACH H2 915 1.670259646 2.488009885 3.125814048 1 ACH C1 916 0.658908848 3.147632044 0.770543432 1 ACH C2 917 0.794464771 3.217323791 0.783771386 1 ACH O1 918 0.808826208 3.315108948 0.856986869 1 ACH O2 919 0.889294558 3.202363548 0.687455972 1 ACH H2 920 0.958230356 3.267214461 0.719729384 1 ACH C1 921 1.398634176 3.252282322 1.151581263 1 ACH C2 922 1.479792036 3.149041990 1.230067999 1 ACH O1 923 1.520505919 3.045230107 1.178175067 1 ACH O2 924 1.507468897 3.192540441 1.355915141 1 ACH H2 925 1.549479185 3.109618745 1.392768531 1 ACH C1 926 0.146370708 0.647560352 0.992213663 1 ACH C2 927 3.544852399 0.613920878 0.978801954 1 ACH O1 928 3.476705011 0.626118952 0.877136643 1 ACH O2 929 3.487457345 0.568231224 1.093303001 1 ACH H2 930 3.390666423 0.552237655 1.073937044 1 ACH C1 931 0.428903187 0.650153019 1.314568154 1 ACH C2 932 0.398262399 0.594894895 1.453920018 1 ACH O1 933 0.352360220 0.671785550 1.538244737 1 ACH O2 934 0.426301298 0.463048847 1.471977328 1 ACH H2 935 0.409738810 0.432886824 1.565878432 1 ACH C1 936 0.799501982 1.038681724 1.919412722 1 ACH C2 937 0.746349370 0.902171362 1.963533966 1 ACH O1 938 0.818264414 0.804316934 1.983064261 1 ACH O2 939 0.615482939 0.897195703 2.000165058 1 ACH H2 940 0.607941952 0.808339871 2.045424146 1 ACH C1 941 1.172907009 0.097325772 2.197075051 1 ACH C2 942 1.087922676 0.202361981 2.268863562 1 ACH O1 943 0.972664588 0.175493912 2.302324560 1 ACH O2 944 1.160610885 0.316904402 2.278636099 1 ACH H2 945 1.107959110 0.381860212 2.333487802 1 ACH C1 946 1.862021216 2.778923075 2.810396979 1 ACH C2 947 1.855588237 2.761319366 2.962238349 1 ACH O1 948 1.951293262 2.717863990 3.026120063 1 ACH O2 949 1.737618063 2.798685219 3.018621252 1 ACH H2 950 1.762758701 2.784326139 3.114339957 1 ACH C1 951 1.120827964 3.331148262 2.988053723 1 ACH C2 952 0.971357352 3.345689788 2.958857346 1 ACH O1 953 0.920537843 3.380954652 2.852550004 1 ACH O2 954 0.905131635 3.319843569 3.074795925 1 ACH H2 955 0.811204631 3.333531637 3.043337930 1 ACH C1 956 0.807427761 0.597412503 0.635506803 1 ACH C2 957 0.911474746 0.491583486 0.672695133 1 ACH O1 958 0.890081424 0.406891978 0.759271584 1 ACH O2 959 1.035127205 0.501725859 0.617002164 1 ACH H2 960 1.073378104 0.431819245 0.677412798 1 ACH C1 961 2.129978742 0.374035002 2.783639527 1 ACH C2 962 2.252374416 0.303273796 2.842114793 1 ACH O1 963 2.359835038 0.307065234 2.782394323 1 ACH O2 964 2.241754706 0.218577440 2.947976393 1 ACH H2 965 2.335721164 0.189281378 2.965613930 1 ACH C1 966 2.130503479 0.349049545 2.356336892 1 ACH C2 967 2.237386935 0.272147746 2.434243896 1 ACH O1 968 2.204061502 0.165548626 2.485768045 1 ACH O2 969 2.356376594 0.329031092 2.467393015 1 ACH H2 970 2.395575719 0.262662585 2.531094093 1 ACH C1 971 0.445305370 1.352087983 0.718688789 1 ACH C2 972 0.294820151 1.324721734 0.722064909 1 ACH O1 973 0.245384471 1.228865768 0.781195629 1 ACH O2 974 0.218213060 1.426553329 0.674564697 1 ACH H2 975 0.124625912 1.415000747 0.707840991 1 ACH C1 976 0.334951813 1.178906729 1.361741004 1 ACH C2 977 0.463315276 1.096273492 1.371747882 1 ACH O1 978 0.571460922 1.148326780 1.398630659 1 ACH O2 979 0.460466214 0.976188332 1.307974344 1 ACH H2 980 0.556064385 0.949399825 1.319907747 1 ACH C1 981 0.653198629 0.031898690 1.972724303 1 ACH C2 982 0.720625498 0.038500528 2.109893201 1 ACH O1 983 0.754781455 -0.063898351 2.168846026 1 ACH O2 984 0.748050558 0.161090679 2.162000280 1 ACH H2 985 0.819041353 0.143546758 2.230199528 1 ACH C1 986 0.363809780 1.818985569 2.194195941 1 ACH C2 987 0.266798114 1.736706426 2.279201519 1 ACH O1 988 0.144372247 1.729748836 2.269599753 1 ACH O2 989 0.332357367 1.661331181 2.371473353 1 ACH H2 990 0.256190091 1.635369671 2.430832743 1 ACH C1 991 1.717322706 0.270195123 0.299511909 1 ACH C2 992 1.684306200 0.270349475 0.150123903 1 ACH O1 993 1.634064463 0.372694748 0.103972976 1 ACH O2 994 1.672151831 0.144610740 0.099781143 1 ACH H2 995 1.627891220 0.148374557 0.010189678 1 ACH C1 996 0.857818014 1.008896015 1.501690240 1 ACH C2 997 0.816241144 0.911122983 1.391613061 1 ACH O1 998 0.718919803 0.928336533 1.318402160 1 ACH O2 999 0.884626157 0.793685498 1.386363869 1 ACH H2 1000 0.839442047 0.739069190 1.315837254 1 ACH C1 1001 1.445300265 1.281354754 0.542675482 1 ACH C2 1002 1.467031181 1.189638992 0.422170709 1 ACH O1 1003 1.375215367 1.132227686 0.363847878 1 ACH O2 1004 1.594067624 1.163273201 0.381400451 1 ACH H2 1005 1.582586274 1.107119668 0.299463794 1 ACH C1 1006 0.699042444 2.008837387 1.268259753 1 ACH C2 1007 0.709400216 1.873693140 1.197313980 1 ACH O1 1008 0.762400172 1.851298569 1.088608415 1 ACH O2 1009 0.649554505 1.773999246 1.267849398 1 ACH H2 1010 0.636383229 1.713184001 1.189572044 1 ACH C1 1011 2.131850023 0.610298368 1.343505511 1 ACH C2 1012 1.979884172 0.617979461 1.359366236 1 ACH O1 1013 1.913182331 0.514643950 1.359702496 1 ACH O2 1014 1.920452730 0.725906533 1.416944686 1 ACH H2 1015 1.822078791 0.709381028 1.423878260 1 ACH C1 1016 0.725399458 1.341642093 2.087411866 1 ACH C2 1017 0.745168909 1.492860735 2.099569222 1 ACH O1 1018 0.779451336 1.559518383 2.002054172 1 ACH O2 1019 0.772440468 1.538903889 2.224596886 1 ACH H2 1020 0.772907247 1.638861084 2.221993054 1 ACH C1 1021 0.695646973 0.646895664 1.693635081 1 ACH C2 1022 0.747686081 0.503039115 1.695101119 1 ACH O1 1023 0.869703678 0.487586126 1.695614187 1 ACH O2 1024 0.653000704 0.407066053 1.712975053 1 ACH H2 1025 0.707966184 0.325208472 1.696277523 1 ACH C1 1026 1.977527730 0.825249908 0.626590880 1 ACH C2 1027 1.922240639 0.953125883 0.689804096 1 ACH O1 1028 1.958772640 1.067285803 0.662232124 1 ACH O2 1029 1.827676999 0.924363879 0.783217649 1 ACH H2 1030 1.784298054 1.013705231 0.794851582 1 ACH C1 1031 2.032190659 2.873488448 3.350185683 1 ACH C2 1032 1.910572386 2.936087167 3.281636981 1 ACH O1 1033 1.802050791 2.878445753 3.286806182 1 ACH O2 1034 1.932137610 3.036001437 3.191947503 1 ACH H2 1035 1.842525359 3.074524224 3.169914810 1 ACH C1 1036 1.693546354 0.876862210 1.623308641 1 ACH C2 1037 1.606474720 0.782221253 1.540422289 1 ACH O1 1038 1.494977500 0.819533987 1.504341778 1 ACH O2 1039 1.673836246 0.681806565 1.478181865 1 ACH H2 1040 1.605451369 0.632251644 1.424636930 1 ACH C1 1041 1.974601827 1.131902179 0.211541104 1 ACH C2 1042 1.967876666 1.103417927 0.061368046 1 ACH O1 1043 1.857594316 1.091516537 0.008233946 1 ACH O2 1044 2.085600300 1.097087109 -0.006408057 1 ACH H2 1045 2.063710299 1.069657352 -0.100046908 1 ACH C1 1046 1.107521458 0.915561019 0.333499623 1 ACH C2 1047 1.126317688 0.899078632 0.484445291 1 ACH O1 1048 1.233913295 0.849352091 0.517295728 1 ACH O2 1049 1.021406556 0.921668812 0.568003572 1 ACH H2 1050 1.055386500 0.906141287 0.660765239 1 ACH C1 1051 1.758031697 2.468642103 0.631327788 1 ACH C2 1052 1.741609159 2.605211192 0.564337402 1 ACH O1 1053 1.630397728 2.646553641 0.531948861 1 ACH O2 1054 1.856566288 2.676311254 0.549363871 1 ACH H2 1055 1.837549859 2.755196792 0.490935320 1 ACH C1 1056 1.739678555 2.457016857 1.623448616 1 ACH C2 1057 1.644860550 2.418860325 1.509588713 1 ACH O1 1058 1.528936266 2.396762559 1.544257781 1 ACH O2 1059 1.678439602 2.415101768 1.377863996 1 ACH H2 1060 1.611319485 2.353143789 1.337171253 1 ACH C1 1061 1.012140743 0.129918433 1.753497932 1 ACH C2 1062 0.882580199 0.101754746 1.677172481 1 ACH O1 1063 0.781054311 0.170981301 1.682433078 1 ACH O2 1064 0.891041930 0.004131984 1.582865417 1 ACH H2 1065 0.800282105 0.008724775 1.541147154 1 ACH C1 1066 3.510465985 1.856087018 2.931370257 1 ACH C2 1067 3.462735561 1.743952810 2.838878324 1 ACH O1 1068 3.427608564 1.630589072 2.871180827 1 ACH O2 1069 3.434820783 1.779973749 2.710751537 1 ACH H2 1070 3.394341395 1.698973312 2.668323402 1 ACH C1 1071 1.276644800 1.452287427 0.282080393 1 ACH C2 1072 1.141359934 1.395872183 0.325897684 1 ACH O1 1073 1.096293520 1.429137811 0.435392419 1 ACH O2 1074 1.084200706 1.292836428 0.257985364 1 ACH H2 1075 1.012704555 1.257873452 0.318524912 1 ACH C1 1076 0.964788539 0.420931420 1.351027758 1 ACH C2 1077 0.829028841 0.351175209 1.340638604 1 ACH O1 1078 0.816509968 0.240116448 1.289277859 1 ACH O2 1079 0.720301298 0.421853899 1.381563871 1 ACH H2 1080 0.643373935 0.364591215 1.353251418 1 ACH C1 1081 3.185129002 2.827928693 1.075784652 1 ACH C2 1082 3.155999992 2.864129709 1.221556786 1 ACH O1 1083 3.100154877 2.971100970 1.245396227 1 ACH O2 1084 3.194564184 2.769839984 1.311653791 1 ACH H2 1085 3.171576090 2.809807110 1.400389212 1 ACH C1 1086 0.651368666 1.841577221 1.590029709 1 ACH C2 1087 0.721989287 1.753633272 1.693400711 1 ACH O1 1088 0.832906828 1.702411828 1.679175470 1 ACH O2 1089 0.661100591 1.739617754 1.814190381 1 ACH H2 1090 0.704485932 1.678589463 1.880470530 1 ACH C1 1091 0.257175241 2.675317147 2.280906947 1 ACH C2 1092 0.125173685 2.601319893 2.303380475 1 ACH O1 1093 0.083759374 2.576344594 2.416467279 1 ACH O2 1094 0.053610142 2.562741577 2.194357543 1 ACH H2 1095 -0.027853648 2.524989013 2.238372123 1 ACH C1 1096 0.669721718 1.084399211 2.785659695 1 ACH C2 1097 0.547510595 1.008934358 2.838370441 1 ACH O1 1098 0.461512682 1.076498684 2.894648969 1 ACH O2 1099 0.510776075 0.882634871 2.803806854 1 ACH H2 1100 0.412972449 0.879418486 2.824389041 1 ACH C1 1101 0.220165383 1.066932579 2.672369155 1 ACH C2 1102 0.158853767 0.982177512 2.784006539 1 ACH O1 1103 0.051761309 1.006297899 2.839476852 1 ACH O2 1104 0.233602560 0.872124471 2.812230161 1 ACH H2 1105 0.181953562 0.831682345 2.887701174 1 ACH C1 1106 0.948193813 2.429742353 0.816199888 1 ACH C2 1107 0.956093596 2.503055594 0.950251514 1 ACH O1 1108 0.942062506 2.437154776 1.053153922 1 ACH O2 1109 0.957309731 2.638969577 0.945972098 1 ACH H2 1110 0.933519349 2.676820250 1.035415526 1 ACH C1 1111 0.561869077 1.341720842 3.123669259 1 ACH C2 1112 0.655611554 1.220806835 3.124493096 1 ACH O1 1113 0.747690391 1.216801249 3.043058522 1 ACH O2 1114 0.608813568 1.100234388 3.166524929 1 ACH H2 1115 0.692156054 1.049822141 3.189120286 1 ACH C1 1116 1.183562733 1.860182406 0.065466716 1 ACH C2 1117 1.124918684 1.857853018 0.206744307 1 ACH O1 1118 1.041082531 1.776484624 0.245191172 1 ACH O2 1119 1.178306989 1.934081260 0.305913713 1 ACH H2 1120 1.129786452 1.910308173 0.390055825 1 ACH C1 1121 3.394631536 2.546326099 1.676750087 1 ACH C2 1122 3.386337767 2.670794890 1.588184180 1 ACH O1 1123 3.394864263 2.783276377 1.637199868 1 ACH O2 1124 3.387557093 2.639744212 1.455783291 1 ACH H2 1125 3.376468283 2.724447557 1.403805150 1 ACH C1 1126 0.253694724 2.078976558 0.038349053 1 ACH C2 1127 0.220080036 1.940562221 0.094206477 1 ACH O1 1128 0.185985937 1.843696891 0.026527825 1 ACH O2 1129 0.227193236 1.926095325 0.229242002 1 ACH H2 1130 0.189611245 1.833499432 0.232804990 1 ACH C1 1131 0.250070940 2.002145934 1.858687857 1 ACH C2 1132 0.361438154 1.897318283 1.862598380 1 ACH O1 1133 0.354457649 1.776183487 1.842440791 1 ACH O2 1134 0.482754478 1.956878080 1.847490627 1 ACH H2 1135 0.551797931 1.884589906 1.850177580 1 ACH C1 1136 0.790676951 0.822796005 0.976330151 1 ACH C2 1137 0.850040409 0.687111392 1.014725391 1 ACH O1 1138 0.841532706 0.651180213 1.132047863 1 ACH O2 1139 0.936158818 0.626464238 0.928709020 1 ACH H2 1140 0.962594397 0.538514219 0.968278656 1 ACH C1 1141 1.483234920 2.805212802 1.375772827 1 ACH C2 1142 1.621127054 2.851114300 1.423558947 1 ACH O1 1143 1.709591012 2.774858336 1.462115483 1 ACH O2 1144 1.623207856 2.982024352 1.460353719 1 ACH H2 1145 1.721655414 2.991436263 1.475160109 1 ACH C1 1146 1.546864689 1.697032183 2.065930255 1 ACH C2 1147 1.673250365 1.682229413 2.150859730 1 ACH O1 1148 1.774897276 1.745571404 2.122871142 1 ACH O2 1149 1.683044849 1.573184049 2.231536885 1 ACH H2 1150 1.777094228 1.578335768 2.265106826 1 ACH C1 1151 0.494399927 1.796073091 3.389406270 1 ACH C2 1152 0.549357871 1.872002097 3.510325932 1 ACH O1 1153 0.579119710 1.991332197 3.508521803 1 ACH O2 1154 0.567663285 1.811503690 3.630732843 1 ACH H2 1155 0.613202936 1.885470200 3.680263805 1 ACH C1 1156 0.784422532 2.751350600 0.628705067 1 ACH C2 1157 0.889642333 2.811040139 0.722377262 1 ACH O1 1158 0.868359458 2.907416676 0.795758338 1 ACH O2 1159 1.020531062 2.784570541 0.696648357 1 ACH H2 1160 1.067376155 2.853717802 0.751624375 1 ACH C1 1161 0.929394776 3.512512600 3.345714988 1 ACH C2 1162 0.840873010 0.088818433 3.364016397 1 ACH O1 1163 0.738367954 0.111139521 3.299804423 1 ACH O2 1164 0.894537297 0.191271845 3.435538722 1 ACH H2 1165 0.822781293 0.260298703 3.444749930 1 ACH C1 1166 3.351719161 3.341687132 0.389924267 1 ACH C2 1167 3.248373341 3.237478661 0.433105892 1 ACH O1 1168 3.236323381 3.201845545 0.550205306 1 ACH O2 1169 3.164098987 3.194760301 0.335286661 1 ACH H2 1170 3.116181544 3.122692647 0.385376718 1 ACH C1 1171 1.512673933 1.755517628 0.202493778 1 ACH C2 1172 1.570248808 1.747771083 0.344029308 1 ACH O1 1173 1.622965481 1.841635758 0.403519389 1 ACH O2 1174 1.577008941 1.619339876 0.388221083 1 ACH H2 1175 1.630359955 1.616112040 0.472734266 1 ACH C1 1176 0.977356964 1.511144739 0.021410078 1 ACH C2 1177 0.986591583 1.466324100 3.422546910 1 ACH O1 1178 1.061105934 1.517484635 3.339126852 1 ACH O2 1179 0.891121640 1.379055948 3.380559052 1 ACH H2 1180 0.897847956 1.372231701 3.281029477 1 ACH C1 1181 2.747613532 0.182161308 0.575215443 1 ACH C2 1182 2.687693728 0.181082741 0.434454938 1 ACH O1 1183 2.597035221 0.107090241 0.396590940 1 ACH O2 1184 2.752746333 0.265107099 0.349580367 1 ACH H2 1185 2.690704322 0.253411772 0.272035412 1 ACH C1 1186 2.007648363 2.813779836 2.041650273 1 ACH C2 1187 2.027075163 2.949572320 2.109381149 1 ACH O1 1188 1.930256412 3.015583413 2.146746041 1 ACH O2 1189 2.148098843 3.011547319 2.106553564 1 ACH H2 1190 2.121453751 3.088120752 2.165083418 1 ACH C1 1191 1.064475517 2.250540234 0.155299924 1 ACH C2 1192 1.016308420 2.173425599 0.032253638 1 ACH O1 1193 1.058081516 2.202849331 -0.079629994 1 ACH O2 1194 0.900751832 2.103592333 0.048456413 1 ACH H2 1195 0.888592773 2.084862731 -0.049014442 1 ACH C1 1196 3.355906574 2.769267224 2.529412183 1 ACH C2 1197 3.380419912 2.696230062 2.661586031 1 ACH O1 1198 3.349193400 2.578862557 2.681010505 1 ACH O2 1199 3.422035190 2.776895064 2.762862647 1 ACH H2 1200 3.429416872 2.720556074 2.845142358 1 ACH C1 1201 0.003684950 3.170735126 2.393820850 1 ACH C2 1202 3.490448349 3.066929017 2.299010064 1 ACH O1 1203 3.369795564 3.059302012 2.276415960 1 ACH O2 1204 3.576413723 2.983743857 2.234321344 1 ACH H2 1205 3.507803335 2.934497990 2.180782627 1 ACH C1 1206 2.422045985 0.340845659 0.602477103 1 ACH C2 1207 2.383523193 0.329196196 0.750075712 1 ACH O1 1208 2.427935917 0.401093486 0.839438206 1 ACH O2 1209 2.286095861 0.235889164 0.767319245 1 ACH H2 1210 2.276472197 0.244173524 0.866499307 1 ACH C1 1211 1.188634109 3.291224989 1.723399698 1 ACH C2 1212 1.304787781 3.192994719 1.739657141 1 ACH O1 1213 1.381502039 3.192943403 1.835795492 1 ACH O2 1214 1.314262106 3.089627458 1.651787502 1 ACH H2 1215 1.384149640 3.028593721 1.689071056 1 ACH C1 1216 1.023194079 2.096783447 1.095319327 1 ACH C2 1217 1.097366974 2.058616512 0.967061015 1 ACH O1 1218 1.142583478 2.130611948 0.878190232 1 ACH O2 1219 1.127779314 1.926193496 0.961247416 1 ACH H2 1220 1.188554892 1.903395199 0.885179255 1 ACH C1 1221 1.256070096 1.674033269 0.568748804 1 ACH C2 1222 1.325896363 1.785358447 0.647084278 1 ACH O1 1223 1.263535214 1.858609654 0.723718582 1 ACH O2 1224 1.460966077 1.784899076 0.631222750 1 ACH H2 1225 1.477349181 1.835604212 0.715830703 1 ACH C1 1226 2.060497820 3.519097980 2.011077819 1 ACH C2 1227 2.029517568 3.540978818 1.862843600 1 ACH O1 1228 1.920835755 3.581871594 1.822268354 1 ACH O2 1229 2.137195963 3.515555195 1.783757384 1 ACH H2 1230 2.109826261 3.492377716 1.690407782 1 ACH C1 1231 0.980599596 0.321846340 0.209412627 1 ACH C2 1232 1.036578785 0.377588724 0.340425116 1 ACH O1 1233 1.086366911 0.304379345 0.425801134 1 ACH O2 1234 1.035175450 0.512928444 0.353722397 1 ACH H2 1235 1.065249872 0.518285567 0.448942746 1 ACH C1 1236 2.052077241 0.226499017 0.130903344 1 ACH C2 1237 2.138141564 0.136334390 0.219601449 1 ACH O1 1238 2.125700158 0.014114132 0.213710540 1 ACH O2 1239 2.219807910 0.188290906 0.315135502 1 ACH H2 1240 2.251518926 0.102403305 0.355341137 1 ACH C1 1241 0.096106291 3.482092528 0.206337315 1 ACH C2 1242 0.222942989 0.015995514 0.233845626 1 ACH O1 1243 0.199875159 0.136327877 0.244648067 1 ACH O2 1244 0.345630901 -0.042320545 0.227378627 1 ACH H2 1245 0.406884196 0.036719952 0.228036927 1 ACH C1 1246 1.267846694 0.609785226 1.216928547 1 ACH C2 1247 1.382823598 0.557785976 1.303422421 1 ACH O1 1248 1.496893548 0.603761056 1.302041959 1 ACH O2 1249 1.356006865 0.448556528 1.379877750 1 ACH H2 1250 1.445156647 0.424372832 1.418167134 1 ACH C1 1251 2.018232311 3.024765396 1.123537905 1 ACH C2 1252 1.866766782 3.038677405 1.107047283 1 ACH O1 1253 1.820667296 3.121482585 1.028645533 1 ACH O2 1254 1.787265703 2.957473313 1.181737001 1 ACH H2 1255 1.695956581 2.979191011 1.147242062 1 ACH C1 1256 0.646733822 1.365677624 1.221225997 1 ACH C2 1257 0.640206820 1.426099241 1.080819806 1 ACH O1 1258 0.641691187 1.363913628 0.974709293 1 ACH O2 1259 0.641269172 1.561696526 1.070539959 1 ACH H2 1260 0.629787545 1.571867463 0.971731302 1 ACH C1 1261 1.610925181 3.111841132 3.387501952 1 ACH C2 1262 1.583707896 3.129862624 3.238039091 1 ACH O1 1263 1.471638298 3.139302653 3.188251796 1 ACH O2 1264 1.691905423 3.129170932 3.155647079 1 ACH H2 1265 1.637055006 3.115971800 3.073083476 1 ACH C1 1266 1.473652202 1.653552954 2.942730333 1 ACH C2 1267 1.552179818 1.779842226 2.906790165 1 ACH O1 1268 1.504890089 1.893236188 2.900943321 1 ACH O2 1269 1.687813284 1.770074556 2.905542607 1 ACH H2 1270 1.712494825 1.864368309 2.927856848 1 ACH C1 1271 0.748073705 0.802701306 3.318451570 1 ACH C2 1272 0.865032371 0.877153357 3.253760332 1 ACH O1 1273 0.974722406 0.823699471 3.238285414 1 ACH O2 1274 0.852954332 1.010018840 3.227412227 1 ACH H2 1275 0.939278919 1.037376671 3.185000114 1 ACH C1 1276 1.385113992 2.941242805 0.123215958 1 ACH C2 1277 1.362366723 3.083256249 0.175369239 1 ACH O1 1278 1.371076189 3.109019102 0.295318520 1 ACH O2 1279 1.282306095 3.150150554 0.088127765 1 ACH H2 1280 1.272525435 3.242160144 0.126035831 1 ACH C1 1281 1.336094651 1.503849405 1.041227107 1 ACH C2 1282 1.274020785 1.439825443 0.916916900 1 ACH O1 1283 1.189381766 1.501713894 0.852614870 1 ACH O2 1284 1.311300084 1.315479539 0.876385737 1 ACH H2 1285 1.246915648 1.293268795 0.803161110 1 ACH C1 1286 2.003361613 0.269974459 0.531355134 1 ACH C2 1287 1.976970248 0.408304640 0.591149253 1 ACH O1 1288 2.065790917 0.460654398 0.658224482 1 ACH O2 1289 1.852278309 0.461831750 0.582251353 1 ACH H2 1290 1.845182607 0.528891491 0.656092826 1 ACH C1 1291 2.418519642 1.149999110 1.485583004 1 ACH C2 1292 2.356428435 1.110177056 1.351536258 1 ACH O1 1293 2.269083594 1.182935907 1.304571132 1 ACH O2 1294 2.392240170 0.989628146 1.299762985 1 ACH H2 1295 2.322658243 0.977506862 1.228972957 1 ACH C1 1296 2.938612656 1.529678689 1.923394452 1 ACH C2 1297 3.055771023 1.532578262 1.825044889 1 ACH O1 1298 3.166008747 1.580899769 1.850370192 1 ACH O2 1299 3.030474095 1.495882520 1.696566562 1 ACH H2 1300 3.116367369 1.529658915 1.658067782 1 ACH C1 1301 2.015587254 3.401820644 3.139711342 1 ACH C2 1302 2.106862506 3.508218437 3.078429494 1 ACH O1 1303 2.229048637 3.502394735 3.091287516 1 ACH O2 1304 2.050248931 3.614009614 3.014431265 1 ACH H2 1305 2.129386902 3.673244731 2.999341310 1 ACH C1 1306 0.672457325 0.644846860 2.884757010 1 ACH C2 1307 0.786893836 0.746279599 2.889548902 1 ACH O1 1308 0.790820450 0.843976588 2.964171786 1 ACH O2 1309 0.897903600 0.708493713 2.820682023 1 ACH H2 1310 0.949565006 0.788368010 2.851527849 1 ACH C1 1311 2.449473059 3.209635479 2.289297109 1 ACH C2 1312 2.503879896 3.312260092 2.388879299 1 ACH O1 1313 2.558184811 3.417092797 2.354427152 1 ACH O2 1314 2.518108767 3.269988254 2.517351738 1 ACH H2 1315 2.561934136 3.352068990 2.553970268 1 ACH C1 1316 1.864464882 0.167895509 3.250489776 1 ACH C2 1317 1.929844588 0.302854461 3.280822977 1 ACH O1 1318 1.997474197 0.372397992 3.205221069 1 ACH O2 1319 1.930658429 0.327621022 3.414541604 1 ACH H2 1320 1.973047950 0.417746416 3.423420749 1 ACH C1 1321 1.645021074 0.050860653 2.290494843 1 ACH C2 1322 1.590962259 0.084758297 2.429545758 1 ACH O1 1323 1.471979941 0.080374691 2.460411385 1 ACH O2 1324 1.685967840 0.103239843 2.525067127 1 ACH H2 1325 1.634947247 0.117969684 2.609796178 1 ACH C1 1326 1.852126412 0.525230745 1.731042660 1 ACH C2 1327 1.808972918 0.384913892 1.774094972 1 ACH O1 1328 1.857691111 0.324883064 1.869753027 1 ACH O2 1329 1.711143255 0.320717705 1.704785279 1 ACH H2 1330 1.698487758 0.229184380 1.743005964 1 ACH C1 1331 3.088361543 0.981857668 0.676783804 1 ACH C2 1332 2.961735301 0.983939548 0.762610116 1 ACH O1 1333 2.961958380 1.016678593 0.881166305 1 ACH O2 1334 2.846045949 0.946023131 0.701997033 1 ACH H2 1335 2.769149434 0.957828217 0.764821140 1 ACH C1 1336 0.533054403 0.964936270 0.458174189 1 ACH C2 1337 0.673510488 0.954047234 0.517844268 1 ACH O1 1338 0.696871334 0.889215969 0.619725928 1 ACH O2 1339 0.775260391 1.004073053 0.442764112 1 ACH H2 1340 0.852773485 0.997218521 0.505569088 1 ACH C1 1341 0.392352064 0.367716560 1.935967888 1 ACH C2 1342 0.366841739 0.440223204 1.803683673 1 ACH O1 1343 0.340276017 0.373462264 1.703854148 1 ACH O2 1344 0.373004158 0.575975839 1.808808281 1 ACH H2 1345 0.349484386 0.611442262 1.718309197 1 ACH C1 1346 0.742237552 2.895256960 2.223630787 1 ACH C2 1347 0.624104932 2.975490178 2.168743150 1 ACH O1 1348 0.635618180 3.043629638 2.066997744 1 ACH O2 1349 0.503466900 2.959212458 2.229382021 1 ACH H2 1350 0.433222363 2.994161058 2.167381226 1 ACH C1 1351 2.603168373 0.823337792 2.036793381 1 ACH C2 1352 2.728623858 0.811097493 1.950103014 1 ACH O1 1353 2.839093549 0.780718433 1.994849577 1 ACH O2 1354 2.723101924 0.864188852 1.825022386 1 ACH H2 1355 2.801330629 0.831435446 1.772038593 1 ACH C1 1356 1.262976438 0.128610348 3.417014261 1 ACH C2 1357 1.383919063 0.222156487 3.411820051 1 ACH O1 1358 1.496170306 0.196155258 3.454846458 1 ACH O2 1359 1.361997965 0.349994754 3.370924211 1 ACH H2 1360 1.451691614 0.393855554 3.376393218 1 ACH C1 1361 0.425811667 0.724554120 0.721743523 1 ACH C2 1362 0.395925038 0.587656183 0.660288970 1 ACH O1 1363 0.440228727 0.573183412 0.546457898 1 ACH O2 1364 0.307936120 0.501751530 0.718374834 1 ACH H2 1365 0.310441989 0.410647994 0.677205433 1 ACH C1 1366 1.083600874 2.179769311 0.568776150 1 ACH C2 1367 0.991226967 2.059524839 0.589158447 1 ACH O1 1368 0.898070457 2.056420933 0.669413822 1 ACH O2 1369 1.035120985 1.943962741 0.532486667 1 ACH H2 1370 0.971834258 1.872545249 0.562401754 1 ACH C1 1371 1.907292170 2.123992416 2.839561298 1 ACH C2 1372 1.878209721 2.238707810 2.936530969 1 ACH O1 1373 1.812944146 2.335187215 2.897056062 1 ACH O2 1374 1.900258408 2.230526958 3.070475887 1 ACH H2 1375 1.843245847 2.307361015 3.099541090 1 ACH C1 1376 1.912249932 0.060133711 2.739857518 1 ACH C2 1377 1.975281865 3.472027632 2.773668138 1 ACH O1 1378 2.078293351 3.431010381 2.720436403 1 ACH O2 1379 1.889338482 3.378034262 2.821360992 1 ACH H2 1380 1.959246066 3.309003504 2.840021381 1 ACH C1 1381 1.311678210 2.039913691 2.288149772 1 ACH C2 1382 1.233993110 1.909667063 2.308345149 1 ACH O1 1383 1.114497380 1.901915032 2.336440901 1 ACH O2 1384 1.312422701 1.799360833 2.321540816 1 ACH H2 1385 1.258784295 1.721475811 2.354035811 1 ACH C1 1386 1.532191300 2.451847718 2.550137222 1 ACH C2 1387 1.623890413 2.463079019 2.672079009 1 ACH O1 1388 1.597252730 2.529660853 2.772001897 1 ACH O2 1389 1.728621244 2.376357069 2.669552466 1 ACH H2 1390 1.771860350 2.396383724 2.757462517 1 ACH C1 1391 1.304177505 0.005954957 2.785997837 1 ACH C2 1392 1.361941401 0.146264559 2.766334059 1 ACH O1 1393 1.483274091 0.157572744 2.749557072 1 ACH O2 1394 1.286284478 0.258658613 2.778133784 1 ACH H2 1395 1.327567682 0.340287005 2.737724580 1 ACH C1 1396 3.030263585 0.923543507 1.212687790 1 ACH C2 1397 3.006354535 0.819736246 1.102865490 1 ACH O1 1398 3.098421601 0.756327751 1.051592594 1 ACH O2 1399 2.879597021 0.800204263 1.057641011 1 ACH H2 1400 2.896829107 0.740841926 0.979029036 1 ACH C1 1401 1.507563538 0.832291336 3.044014409 1 ACH C2 1402 1.397170531 0.825863740 3.149765626 1 ACH O1 1403 1.294971443 0.893285689 3.138004595 1 ACH O2 1404 1.420695780 0.749645334 3.259920467 1 ACH H2 1405 1.345222831 0.751647287 3.325496973 1 ACH C1 1406 1.507301119 1.514654584 2.504297926 1 ACH C2 1407 1.561352933 1.482966230 2.643868684 1 ACH O1 1408 1.493210788 1.416993617 2.722181884 1 ACH O2 1409 1.679205095 1.536617129 2.685425284 1 ACH H2 1410 1.704863614 1.502737342 2.775940962 1 ACH C1 1411 0.126898149 2.409493347 3.308700811 1 ACH C2 1412 0.201962869 2.454860624 3.183351262 1 ACH O1 1413 0.309108520 2.515236542 3.184813742 1 ACH O2 1414 0.154497263 2.398918169 3.068838884 1 ACH H2 1415 0.217089331 2.416836662 2.992940974 1 ACH C1 1416 0.123487014 1.397631685 3.384634840 1 ACH C2 1417 0.160753553 1.545979328 3.388200340 1 ACH O1 1418 0.183541830 1.610515150 3.286012380 1 ACH O2 1419 0.179782300 1.583593428 3.517512307 1 ACH H2 1420 0.170236585 1.681750414 3.534056370 1 ACH C1 1421 0.255225560 2.200397827 2.185606401 1 ACH C2 1422 0.239127082 2.264823973 2.323426178 1 ACH O1 1423 0.291709030 2.371937077 2.353244689 1 ACH O2 1424 0.195907196 2.180770987 2.421215564 1 ACH H2 1425 0.202066050 2.237184271 2.503544871 1 ACH C1 1426 1.029565774 0.706789958 2.526220244 1 ACH C2 1427 0.991101358 0.679213625 2.380741919 1 ACH O1 1428 0.895453649 0.737796219 2.330277428 1 ACH O2 1429 1.061517048 0.585828043 2.311341697 1 ACH H2 1430 1.028150022 0.612788989 2.221015566 1 ACH C1 1431 3.462736450 1.236064900 3.009590582 1 ACH C2 1432 3.346584346 1.219084906 2.911481311 1 ACH O1 1433 3.334060238 1.291299188 2.812708507 1 ACH O2 1434 3.261126885 1.113311764 2.913647311 1 ACH H2 1435 3.194311508 1.131678234 2.841548951 1 ACH C1 1436 2.233957376 0.677504233 0.800308628 1 ACH C2 1437 2.299794996 0.814236737 0.819754913 1 ACH O1 1438 2.417039349 0.833614995 0.851447942 1 ACH O2 1439 2.235938469 0.931741270 0.795073079 1 ACH H2 1440 2.303835792 1.004600204 0.804091260 1 ACH C1 1441 0.550824770 2.339255275 1.166029341 1 ACH C2 1442 0.408570228 2.283077422 1.162492640 1 ACH O1 1443 0.348714814 2.248876659 1.060634434 1 ACH O2 1444 0.361289391 2.248120992 1.285122968 1 ACH H2 1445 0.263032952 2.237667413 1.269774576 1 ACH C1 1446 2.428609311 2.682470442 3.463997623 1 ACH C2 1447 2.459055762 2.832355612 3.467498351 1 ACH O1 1448 2.485611731 2.893261786 3.363997044 1 ACH O2 1449 2.437742796 2.892933637 3.587380323 1 ACH H2 1450 2.448494472 2.988522265 3.560066004 1 ACH C1 1451 1.979893657 3.360587254 0.859076517 1 ACH C2 1452 1.981413878 3.495790136 0.930650566 1 ACH O1 1453 2.031504651 3.598008604 0.884069347 1 ACH O2 1454 1.920314594 3.495143301 1.052149891 1 ACH H2 1455 1.945771849 3.588872606 1.075941898 1 ACH C1 1456 1.558373570 3.271121741 2.509198374 1 ACH C2 1457 1.640794381 3.304748371 2.633630430 1 ACH O1 1458 1.602676188 3.389909729 2.713775556 1 ACH O2 1459 1.747678961 3.224547286 2.658857798 1 ACH H2 1460 1.797692581 3.263647882 2.736116799 1 ACH C1 1461 1.079540988 1.812728007 3.204443215 1 ACH C2 1462 1.050759112 1.946136203 3.273598003 1 ACH O1 1463 0.959315132 1.971011038 3.351988500 1 ACH O2 1464 1.124127629 2.054475112 3.236529655 1 ACH H2 1465 1.097314179 2.118829971 3.308209688 1 ACH C1 1466 0.641356127 2.465552334 3.341633094 1 ACH C2 1467 0.588566394 2.347204333 3.422984048 1 ACH O1 1468 0.501850426 2.351494355 3.510108278 1 ACH O2 1469 0.666423514 2.236930577 3.406407764 1 ACH H2 1470 0.614603090 2.155844746 3.433602062 1 ACH C1 1471 1.457270671 2.257285853 3.421435046 1 ACH C2 1472 1.604825478 2.220138696 3.437316784 1 ACH O1 1473 1.680448966 2.224417107 3.340415299 1 ACH O2 1474 1.638574159 2.171264659 3.559660488 1 ACH H2 1475 1.731059265 2.145725690 3.531477888 1 ACH C1 1476 1.581941437 0.922499690 3.492122960 1 ACH C2 1477 1.560145782 0.905804534 0.095506940 1 ACH O1 1478 1.624927876 0.960841031 0.184405528 1 ACH O2 1479 1.471301379 0.811660162 0.137181683 1 ACH H2 1480 1.463828028 0.820579848 0.236498556 1 ACH C1 1481 2.293921440 2.075515313 3.301925679 1 ACH C2 1482 2.182734018 2.175833763 3.270610041 1 ACH O1 1483 2.199005630 2.297520232 3.263104532 1 ACH O2 1484 2.057368439 2.125000407 3.256728735 1 ACH H2 1485 2.006629624 2.196223672 3.208244846 1 ACH C1 1486 0.683487993 3.187830669 3.350543884 1 ACH C2 1487 0.639686454 3.262611518 3.476613924 1 ACH O1 1488 0.607369051 3.381199079 3.472178703 1 ACH O2 1489 0.660610544 3.193857179 3.592072360 1 ACH H2 1490 0.631671335 3.262558685 3.658715548 1 ACH C1 1491 2.021128861 1.470811831 0.070542790 1 ACH C2 1492 1.926498921 1.451844930 3.498957794 1 ACH O1 1493 1.893376103 1.342904971 3.452442644 1 ACH O2 1494 1.878361575 1.563026629 3.437196097 1 ACH H2 1495 1.834985230 1.515795327 3.360472330 1 ACH C1 1496 2.294648654 1.340240229 1.805126912 1 ACH C2 1497 2.159757210 1.334410739 1.733173415 1 ACH O1 1498 2.054229750 1.296325529 1.783593321 1 ACH O2 1499 2.160188984 1.348959548 1.597965563 1 ACH H2 1500 2.073553613 1.306281793 1.572039275 1 ACH C1 1501 2.269807568 0.974817853 1.807462306 1 ACH C2 1502 2.128779640 0.948005776 1.860367712 1 ACH O1 1503 2.037499268 1.030414634 1.858050604 1 ACH O2 1504 2.104413092 0.826869756 1.917153733 1 ACH H2 1505 2.007939931 0.817126745 1.941623070 1 ACH C1 1506 0.059010686 0.254718373 2.436763137 1 ACH C2 1507 0.072542772 0.269500134 2.588430341 1 ACH O1 1508 0.182271293 0.251868985 2.641120724 1 ACH O2 1509 -0.025436897 0.326822760 2.663328458 1 ACH H2 1510 0.008243626 0.323504885 2.757417445 1 ACH C1 1511 0.548335780 2.042269820 0.435801733 1 ACH C2 1512 0.675123949 2.064530149 0.353110950 1 ACH O1 1513 0.761742343 2.144344859 0.388503022 1 ACH O2 1514 0.663437815 2.019055832 0.225478247 1 ACH H2 1515 0.744544423 2.051967487 0.177135009 1 ACH C1 1516 2.147544130 2.007204891 2.042688406 1 ACH C2 1517 2.039414072 1.902196294 2.068924699 1 ACH O1 1518 1.959932356 1.892140390 1.975596083 1 ACH O2 1519 2.035898351 1.836618592 2.188001264 1 ACH H2 1520 1.949636587 1.792380586 2.163473595 1 ACH C1 1521 1.277413862 2.570716393 3.481303846 1 ACH C2 1522 1.276939530 2.551889350 0.086008376 1 ACH O1 1523 1.167758034 2.555296821 0.142545840 1 ACH O2 1524 1.390554090 2.594232099 0.147586588 1 ACH H2 1525 1.383358504 2.547793642 0.235846988 1 ACH C1 1526 1.679434997 0.235289819 1.242414261 1 ACH C2 1527 1.710602091 0.287518788 1.382803987 1 ACH O1 1528 1.795927998 0.221389359 1.441754209 1 ACH O2 1529 1.614666339 0.363555729 1.442037990 1 ACH H2 1530 1.660169818 0.377589738 1.529971364 1 ACH C1 1531 1.711097180 3.160396670 1.756909325 1 ACH C2 1532 1.861641195 3.157874413 1.784028884 1 ACH O1 1533 1.916219256 3.054205748 1.821466328 1 ACH O2 1534 1.928958950 3.275006033 1.768404219 1 ACH H2 1535 2.013979949 3.234172758 1.801626495 1 ACH C1 1536 2.252670269 0.280941758 1.552935893 1 ACH C2 1537 2.114082686 0.244474951 1.499356681 1 ACH O1 1538 2.109390755 0.189627949 1.389363558 1 ACH O2 1539 2.007309975 0.295743375 1.566164183 1 ACH H2 1540 1.929848495 0.241178411 1.534202883 1 ACH C1 1541 2.041356542 3.410546649 2.389598636 1 ACH C2 1542 1.988071530 3.310706900 2.286652866 1 ACH O1 1543 2.068704368 3.242711452 2.223378390 1 ACH O2 1544 1.857248826 3.318049161 2.250243212 1 ACH H2 1545 1.833689180 3.232919229 2.203364885 1 ACH C1 1546 2.284975832 2.390157756 1.410020790 1 ACH C2 1547 2.145661331 2.448267016 1.385119389 1 ACH O1 1548 2.049510761 2.416762515 1.455047340 1 ACH O2 1549 2.139427046 2.534210926 1.279903397 1 ACH H2 1550 2.039826922 2.533366031 1.271043949 1 ACH C1 1551 1.891349541 3.306811043 3.520250628 1 ACH C2 1552 1.828467213 3.443074346 0.002836036 1 ACH O1 1553 1.764262247 3.505804636 -0.081247154 1 ACH O2 1554 1.850431512 3.492724704 0.127527810 1 ACH H2 1555 1.799546044 3.578609336 0.121695492 1 ACH C1 1556 0.840169228 2.470591748 1.471964714 1 ACH C2 1557 0.726106008 2.557503847 1.418645674 1 ACH O1 1558 0.740860200 2.615827491 1.311363983 1 ACH O2 1559 0.614530835 2.577162493 1.493858047 1 ACH H2 1560 0.572421401 2.654336689 1.446192594 1 ACH C1 1561 1.693399348 2.726059294 0.029169042 1 ACH C2 1562 1.742388891 2.597124640 0.095359951 1 ACH O1 1563 1.675104672 2.494575318 0.086191697 1 ACH O2 1564 1.855365188 2.598140466 0.171062997 1 ACH H2 1565 1.849606330 2.503978395 0.204216335 1 ACH C1 1566 1.370237677 0.459295257 0.640134601 1 ACH C2 1567 1.324433230 0.313837101 0.652414177 1 ACH O1 1568 1.390152504 0.217506550 0.613297724 1 ACH O2 1569 1.201038822 0.309099925 0.709369683 1 ACH H2 1570 1.175017058 0.214985760 0.687799544 1 ACH C1 1571 2.043436380 2.329810972 0.383570348 1 ACH C2 1572 1.905536326 2.268627934 0.358130115 1 ACH O1 1573 1.889612765 2.147416790 0.371657628 1 ACH O2 1574 1.812068188 2.355996399 0.312055924 1 ACH H2 1575 1.737317282 2.290590706 0.300487950 1 ACH C1 1576 3.320358450 3.336248182 2.147437251 1 ACH C2 1577 3.321088637 3.273118619 2.008084527 1 ACH O1 1578 3.395347214 3.184323979 1.966504004 1 ACH O2 1579 3.240069363 3.331609290 1.915832994 1 ACH H2 1580 3.237961955 3.272119130 1.835489738 1 ACH C1 1581 2.397949319 2.819873237 2.643272800 1 ACH C2 1582 2.528341861 2.899856651 2.646033675 1 ACH O1 1583 2.560419201 2.980465683 2.733222681 1 ACH O2 1584 2.604898167 2.890618513 2.534020549 1 ACH H2 1585 2.669023016 2.966802921 2.543144972 1 ACH C1 1586 0.563145806 0.208896304 0.545630105 1 ACH C2 1587 0.413520468 0.185635726 0.523765992 1 ACH O1 1588 0.373716571 0.084932357 0.465429244 1 ACH O2 1589 0.330373829 0.288593423 0.555047020 1 ACH H2 1590 0.253574919 0.278510599 0.491800975 1 ACH C1 1591 2.685224094 3.536404077 0.059677056 1 ACH C2 1592 2.570413852 0.090343467 0.063098191 1 ACH O1 1593 2.454807593 0.051928465 0.046122465 1 ACH O2 1594 2.598397412 0.221898145 0.083192893 1 ACH H2 1595 2.514873520 0.273057841 0.063064511 1 ACH C1 1596 0.472672866 0.860292973 0.078806946 1 ACH C2 1597 0.324097163 0.854829028 0.114877382 1 ACH O1 1598 0.247552262 0.783923299 0.049755233 1 ACH O2 1599 0.290588030 0.901796197 0.238031147 1 ACH H2 1600 0.192081024 0.887365653 0.228580228 1 ACH C1 1601 0.414234755 3.006706366 0.527776059 1 ACH C2 1602 0.379402451 2.857731769 0.529120605 1 ACH O1 1603 0.264965606 2.818912187 0.506250058 1 ACH O2 1604 0.477152762 2.764790626 0.546473599 1 ACH H2 1605 0.434486552 2.674755536 0.537961746 1 ACH C1 1606 2.893518045 0.374914406 3.510467340 1 ACH C2 1607 2.832580574 0.326565714 3.378723126 1 ACH O1 1608 2.830511779 0.399193198 3.279484261 1 ACH O2 1609 2.811240143 0.192319231 3.382976899 1 ACH H2 1610 2.764285263 0.162085738 3.300028020 1 ACH C1 1611 1.688862164 1.588054940 1.728597484 1 ACH C2 1612 1.760760506 1.476520555 1.804740533 1 ACH O1 1613 1.790408297 1.471937942 1.924024660 1 ACH O2 1614 1.813181862 1.385044669 1.718846787 1 ACH H2 1615 1.875517048 1.328388696 1.772722441 1 ACH C1 1616 2.644612288 0.589788320 0.716163990 1 ACH C2 1617 2.778536148 0.569212635 0.787213145 1 ACH O1 1618 2.837668326 0.667444368 0.831739622 1 ACH O2 1619 2.832031443 0.444358973 0.780745120 1 ACH H2 1620 2.921252349 0.458588198 0.823582944 1 ACH C1 1621 2.060053829 0.813095967 2.251934755 1 ACH C2 1622 1.927988900 0.797894584 2.327659996 1 ACH O1 1623 1.819118163 0.854485209 2.319095030 1 ACH O2 1624 1.914734661 0.689481940 2.408677860 1 ACH H2 1625 1.818563497 0.698694338 2.434456465 1 ACH C1 1626 3.055690364 2.715498271 1.692422831 1 ACH C2 1627 3.037002812 2.862726865 1.655217813 1 ACH O1 1628 2.983654509 2.934260880 1.739867314 1 ACH O2 1629 3.095012953 2.905348140 1.539818410 1 ACH H2 1630 3.077120231 3.003420966 1.531945177 1 ACH C1 1631 2.831900218 2.609482920 2.046046236 1 ACH C2 1632 2.706759150 2.626180216 1.959620309 1 ACH O1 1633 2.696819563 2.709753532 1.869940774 1 ACH O2 1634 2.596494749 2.551665950 1.987614860 1 ACH H2 1635 2.540638105 2.573948683 1.907726886 1 ACH C1 1636 2.219222699 3.012966461 2.985454216 1 ACH C2 1637 2.189458366 3.122582007 2.882967605 1 ACH O1 1638 2.079596555 3.176884123 2.872462440 1 ACH O2 1639 2.294815565 3.157924594 2.804581349 1 ACH H2 1640 2.266849341 3.225249556 2.736134009 1 ACH C1 1641 1.007284376 0.651296743 3.522178220 1 ACH C2 1642 1.127625178 0.591782793 3.448826299 1 ACH O1 1643 1.234130169 0.652132449 3.436927222 1 ACH O2 1644 1.106283375 0.462966206 3.410794189 1 ACH H2 1645 1.203082187 0.438395198 3.405855544 1 ACH C1 1646 1.436437494 1.806149164 1.457991441 1 ACH C2 1647 1.442991301 1.923670667 1.555737396 1 ACH O1 1648 1.419883135 1.908998911 1.675639951 1 ACH O2 1649 1.526665238 2.026355492 1.524933450 1 ACH H2 1650 1.531250986 2.069281034 1.615132326 1 ACH C1 1651 1.662627761 0.399697853 2.703217858 1 ACH C2 1652 1.648052880 0.551944375 2.706965214 1 ACH O1 1653 1.623651913 0.604550104 2.815431070 1 ACH O2 1654 1.683087785 0.626379160 2.598670962 1 ACH H2 1655 1.688451986 0.715514057 2.643673555 1 ACH C1 1656 2.707533806 0.905015234 3.038841843 1 ACH C2 1657 2.585964506 0.994846638 3.015206356 1 ACH O1 1658 2.478598799 0.963932040 3.066628727 1 ACH O2 1659 2.604651503 1.086886866 2.916844867 1 ACH H2 1660 2.518014696 1.136697801 2.913276595 1 ACH C1 1661 1.294096249 2.425687933 2.244353060 1 ACH C2 1662 1.354433016 2.544902552 2.169815306 1 ACH O1 1663 1.425306122 2.620961039 2.235539688 1 ACH O2 1664 1.300771517 2.575381581 2.048626515 1 ACH H2 1665 1.353824917 2.653184970 2.014984750 1 ACH C1 1666 2.881737465 0.001388801 2.280518886 1 ACH C2 1667 2.951593487 3.434893528 2.205582906 1 ACH O1 1668 3.039428386 3.447045903 2.120348205 1 ACH O2 1669 2.905399183 3.313313991 2.245333745 1 ACH H2 1670 2.959859478 3.248505915 2.192110132 1 ACH C1 1671 2.971041212 0.892749968 2.791495088 1 ACH C2 1672 2.959672780 0.757535841 2.862160282 1 ACH O1 1673 2.871428127 0.678371086 2.829403368 1 ACH O2 1674 3.050073404 0.726498855 2.958907684 1 ACH H2 1675 3.033145603 0.631969829 2.986798074 1 ACH C1 1676 2.150117363 0.718831993 3.204098692 1 ACH C2 1677 2.059892782 0.697303597 3.325766421 1 ACH O1 1678 2.031695210 0.584419172 3.365649980 1 ACH O2 1679 2.030744318 0.812455445 3.391968389 1 ACH H2 1680 1.944808033 0.787665741 3.436687585 1 ACH C1 1681 1.017721753 1.648698245 1.257564652 1 ACH C2 1682 0.955366457 1.540996610 1.346544420 1 ACH O1 1683 0.850832468 1.556313595 1.409516097 1 ACH O2 1684 1.018621122 1.421339006 1.333257886 1 ACH H2 1685 1.006403467 1.379816172 1.423397399 1 ACH C1 1686 0.011799997 1.681517731 1.906299055 1 ACH C2 1687 3.507882219 1.811671394 1.968442680 1 ACH O1 1688 3.528775411 1.840550317 2.086163438 1 ACH O2 1689 3.457698552 1.916545546 1.897901929 1 ACH H2 1690 3.444368582 1.990697434 1.963650423 1 ACH C1 1691 0.491825146 1.235551528 2.444999844 1 ACH C2 1692 0.404804260 1.350131988 2.392982921 1 ACH O1 1693 0.281906151 1.354707295 2.394936437 1 ACH O2 1694 0.481812513 1.459573846 2.368782899 1 ACH H2 1695 0.415813967 1.534687657 2.369153632 1 ACH C1 1696 2.116317471 1.249278428 2.927916590 1 ACH C2 1697 2.227678677 1.144511482 2.933362233 1 ACH O1 1698 2.330039716 1.153554786 2.865766883 1 ACH O2 1699 2.214160793 1.051949058 3.032064375 1 ACH H2 1700 2.300107360 1.000837573 3.031936016 1 ACH C1 1701 0.668606954 1.866238813 2.544421787 1 ACH C2 1702 0.786758222 1.829242638 2.454539591 1 ACH O1 1703 0.773666617 1.781319020 2.342020120 1 ACH O2 1704 0.910989123 1.853010144 2.504489241 1 ACH H2 1705 0.974662422 1.859947157 2.427687784 1 ACH C1 1706 0.612114182 1.469271271 2.696575554 1 ACH C2 1707 0.739069346 1.470233858 2.611194131 1 ACH O1 1708 0.829851335 1.552467949 2.622249725 1 ACH O2 1709 0.762949895 1.362368101 2.531889608 1 ACH H2 1710 0.851152795 1.390294666 2.493954035 1 ACH C1 1711 1.362189982 0.339144090 0.237933035 1 ACH C2 1712 1.398566677 0.485841589 0.214161044 1 ACH O1 1713 1.425577804 0.561102438 0.307607209 1 ACH O2 1714 1.413358497 0.540078521 0.090331527 1 ACH H2 1715 1.420787619 0.637946274 0.109476698 1 ACH C1 1716 1.263970151 0.647351741 2.810035952 1 ACH C2 1717 1.330006860 0.626819195 2.673558496 1 ACH O1 1718 1.342542600 0.720286055 2.594585398 1 ACH O2 1719 1.362819676 0.500361357 2.635805500 1 ACH H2 1720 1.400973641 0.498121917 2.543398472 1 ACH C1 1721 2.256922999 1.318101188 3.381574375 1 ACH C2 1722 2.308017639 1.381278625 3.251941233 1 ACH O1 1723 2.252426870 1.473605355 3.192661083 1 ACH O2 1724 2.433636703 1.348272791 3.211654958 1 ACH H2 1725 2.464367619 1.391359890 3.126807911 1 ACH C1 1726 2.489095198 0.798836567 0.409611555 1 ACH C2 1727 2.399557324 0.913659369 0.456546119 1 ACH O1 1728 2.399019730 0.972131332 0.564750682 1 ACH O2 1729 2.299333571 0.943622577 0.369637934 1 ACH H2 1730 2.236164568 1.009663292 0.410212566 1 ACH C1 1731 1.976271481 0.726099993 2.762187339 1 ACH C2 1732 2.126573724 0.745963345 2.782664848 1 ACH O1 1733 2.187755478 0.689627172 2.873275394 1 ACH O2 1734 2.183377932 0.831018852 2.693029645 1 ACH H2 1735 2.281018416 0.820285918 2.711729127 1 ACH C1 1736 2.809603542 1.873743776 1.707259712 1 ACH C2 1737 2.957402536 1.886813188 1.669980006 1 ACH O1 1738 3.001313904 1.862745131 1.557642078 1 ACH O2 1739 3.028295898 1.933092628 1.776412950 1 ACH H2 1740 3.117482093 1.937546295 1.731410775 1 ACH C1 1741 1.001498680 2.426569253 1.975389939 1 ACH C2 1742 0.873255231 2.493723542 1.925867752 1 ACH O1 1743 0.759094667 2.468314650 1.963916403 1 ACH O2 1744 0.885174592 2.537565653 1.797686248 1 ACH H2 1745 0.790073830 2.548387059 1.768753636 1 ACH C1 1746 2.663527642 0.298634452 2.973650844 1 ACH C2 1747 2.592294784 0.176663501 3.032486310 1 ACH O1 1748 2.488705495 0.135208620 2.980705721 1 ACH O2 1749 2.658451389 0.118604350 3.136159188 1 ACH H2 1750 2.611447211 0.031077977 3.147558857 1 ACH C1 1751 1.606151936 1.883883278 2.568771380 1 ACH C2 1752 1.461043265 1.918984295 2.602189898 1 ACH O1 1753 1.433791752 2.031974525 2.642414710 1 ACH O2 1754 1.367636256 1.820238556 2.597713682 1 ACH H2 1755 1.286085151 1.869779371 2.627624405 1 ACH C1 1756 1.030807888 1.101908026 2.813009244 1 ACH C2 1757 1.057390978 1.022878757 2.941286332 1 ACH O1 1758 1.057569611 1.078958531 3.050756519 1 ACH O2 1759 1.070680808 0.887540384 2.941361007 1 ACH H2 1760 1.105171096 0.871024933 3.033765949 1 ACH C1 1761 2.161488867 1.618877649 0.754308301 1 ACH C2 1762 2.070673297 1.653658037 0.872408016 1 ACH O1 1763 2.110433654 1.692344470 0.982180301 1 ACH O2 1764 1.936764026 1.643776890 0.850814107 1 ACH H2 1765 1.898433618 1.639449551 0.943067714 1 ACH C1 1766 1.005819349 3.352131878 0.169264100 1 ACH C2 1767 1.133901479 3.416443663 0.222801649 1 ACH O1 1768 1.245825798 3.375045625 0.193004938 1 ACH O2 1769 1.112375459 3.523986754 0.303204210 1 ACH H2 1770 1.208613475 3.548433556 0.315019595 1 ACH C1 1771 2.685760827 2.300319517 0.176913034 1 ACH C2 1772 2.615749177 2.180837578 0.241945881 1 ACH O1 1773 2.542958236 2.193145110 0.340326257 1 ACH O2 1774 2.634262589 2.059504507 0.183399643 1 ACH H2 1775 2.582146963 1.999709154 0.244295255 1 ACH C1 1776 1.470097819 0.389993939 1.884574485 1 ACH C2 1777 1.422257700 0.456740047 1.755487277 1 ACH O1 1778 1.464254983 0.562732827 1.709330441 1 ACH O2 1779 1.327667047 0.400323643 1.675718438 1 ACH H2 1780 1.317642250 0.473975690 1.608839568 1 ACH C1 1781 2.008047151 2.532298384 2.576560545 1 ACH C2 1782 2.149625443 2.489846916 2.537054227 1 ACH O1 1783 2.188470697 2.507631622 2.421713666 1 ACH O2 1784 2.236317406 2.457346729 2.636659866 1 ACH H2 1785 2.317514527 2.426156150 2.587330701 1 ACH C1 1786 3.042308010 2.219907322 0.266444017 1 ACH C2 1787 3.127375701 2.277607838 0.379748978 1 ACH O1 1788 3.069295212 2.323535093 0.477953345 1 ACH O2 1789 3.258247507 2.244285154 0.395805021 1 ACH H2 1790 3.290804739 2.311700076 0.462095669 1 ACH C1 1791 2.055312355 0.741660599 0.158349580 1 ACH C2 1792 1.923037620 0.673643452 0.122494454 1 ACH O1 1793 1.894628021 0.557429723 0.151009529 1 ACH O2 1794 1.845833422 0.739096283 0.031664893 1 ACH H2 1795 1.779666933 0.664207183 0.028032831 1 ACH C1 1796 1.319608899 2.678123196 3.143721194 1 ACH C2 1797 1.406148555 2.595860972 3.048067724 1 ACH O1 1798 1.485718681 2.513054740 3.092117906 1 ACH O2 1799 1.372099102 2.597609528 2.916426140 1 ACH H2 1800 1.436510140 2.540885768 2.865120569 1 ACH C1 1801 3.167004915 1.484969174 3.201770084 1 ACH C2 1802 3.264686673 1.528253055 3.092262123 1 ACH O1 1803 3.377548777 1.565153026 3.124343775 1 ACH O2 1804 3.217613026 1.544306659 2.965695425 1 ACH H2 1805 3.296248234 1.587222678 2.921266151 1 ACH C1 1806 1.964646294 1.596609729 2.992178478 1 ACH C2 1807 1.844152335 1.516893054 3.042502472 1 ACH O1 1808 1.841708452 1.475323945 3.158238082 1 ACH O2 1809 1.755711138 1.466316852 2.952420286 1 ACH H2 1810 1.692799978 1.412958263 3.008940630 1 ACH C1 1811 2.172398075 2.687335813 0.387592788 1 ACH C2 1812 2.305957182 2.725982267 0.323765120 1 ACH O1 1813 2.352287428 2.839875681 0.326855354 1 ACH O2 1814 2.370990745 2.630076868 0.252572306 1 ACH H2 1815 2.460861944 2.669893187 0.234224241 1 ACH C1 1816 1.599524959 0.543853115 0.924207448 1 ACH C2 1817 1.667541920 0.654561356 0.843432266 1 ACH O1 1818 1.764894053 0.622434603 0.775468094 1 ACH O2 1819 1.643350358 0.782923789 0.881254376 1 ACH H2 1820 1.719684885 0.830684716 0.837766078 1 ACH C1 1821 3.170866113 2.994004963 3.271796841 1 ACH C2 1822 3.041999112 2.951481206 3.201109779 1 ACH O1 1823 2.966405306 2.864688769 3.244499862 1 ACH O2 1824 3.023653568 3.017552074 3.083663160 1 ACH H2 1825 2.935762412 2.997833094 3.040227296 1 ACH C1 1826 3.103505298 2.239587367 2.906098059 1 ACH C2 1827 3.115848303 2.288052469 2.761518315 1 ACH O1 1828 3.167564562 2.207474837 2.684308416 1 ACH O2 1829 3.083912898 2.412518013 2.716990860 1 ACH H2 1830 3.124289848 2.407256687 2.625659177 1 ACH C1 1831 2.280839123 2.545132688 3.096944227 1 ACH C2 1832 2.257614204 2.559596313 2.946424717 1 ACH O1 1833 2.253078845 2.660352294 2.876032129 1 ACH O2 1834 2.257236117 2.437350750 2.886830202 1 ACH H2 1835 2.231666177 2.444444237 2.790408849 1 ACH C1 1836 1.710679210 0.624060980 3.254948635 1 ACH C2 1837 1.652972298 0.528528698 3.359587629 1 ACH O1 1838 1.621013636 0.412748075 3.333110646 1 ACH O2 1839 1.643593500 0.586366230 3.482316944 1 ACH H2 1840 1.608722744 0.510323304 3.537105459 1 ACH C1 1841 1.993227042 3.021520834 0.220443363 1 ACH C2 1842 1.871241177 2.986756556 0.306022605 1 ACH O1 1843 1.884507153 2.905834141 0.397697427 1 ACH O2 1844 1.745618448 3.023743547 0.269283137 1 ACH H2 1845 1.688791244 2.981375997 0.339820069 1 ACH C1 1846 2.186186155 2.155617920 2.411916494 1 ACH C2 1847 2.307581380 2.070999048 2.450771487 1 ACH O1 1848 2.416679764 2.112915843 2.489101889 1 ACH O2 1849 2.265314696 1.944555679 2.477570513 1 ACH H2 1850 2.341398674 1.879895575 2.483008100 1 ACH C1 1851 1.506605505 2.091539459 1.948812672 1 ACH C2 1852 1.468361760 2.210337577 1.860289547 1 ACH O1 1853 1.416157697 2.309872316 1.910252195 1 ACH O2 1854 1.490191735 2.194203799 1.727022708 1 ACH H2 1855 1.433881540 2.265213292 1.684754374 1 ACH C1 1856 1.825609482 2.065295328 2.305616877 1 ACH C2 1857 1.769908216 2.166266848 2.406168599 1 ACH O1 1858 1.653047627 2.200736017 2.389282041 1 ACH O2 1859 1.854652755 2.227741344 2.492966527 1 ACH H2 1860 1.794244557 2.279652445 2.553430456 1 ACH C1 1861 1.583064494 3.492547971 3.181689207 1 ACH C2 1862 1.600236839 3.449341898 3.035930580 1 ACH O1 1863 1.598196424 3.332982341 2.996118710 1 ACH O2 1864 1.600271296 3.547587002 2.941902665 1 ACH H2 1865 1.609911905 3.490880572 2.860102679 1 ACH C1 1866 2.249475457 3.297540208 1.303348601 1 ACH C2 1867 2.184634442 3.435536709 1.315865592 1 ACH O1 1868 2.160184720 3.506339405 1.218311788 1 ACH O2 1869 2.157407993 3.493571114 1.435808726 1 ACH H2 1870 2.140804832 3.588749298 1.410046068 1 ACH C1 1871 0.948635199 2.807541339 3.501485612 1 ACH C2 1872 0.889947673 2.680156403 0.015456304 1 ACH O1 1873 0.916664178 2.571685788 -0.035997571 1 ACH O2 1874 0.810062746 2.699182005 0.123863185 1 ACH H2 1875 0.767612097 2.610762682 0.143338671 1 ACH C1 1876 1.345833068 1.273184778 3.054159003 1 ACH C2 1877 1.476259845 1.215934242 3.109975381 1 ACH O1 1878 1.484360021 1.136098821 3.203185814 1 ACH O2 1879 1.590840109 1.280870519 3.076059751 1 ACH H2 1880 1.652859632 1.224327058 3.130428541 1 ACH C1 1881 1.526646481 3.433298702 0.296700481 1 ACH C2 1882 1.470229152 3.531502591 0.399584160 1 ACH O1 1883 1.357913148 3.569000482 0.366277213 1 ACH O2 1884 1.541450643 3.572043968 0.508117670 1 ACH H2 1885 1.480748796 3.643493380 0.542907821 1 ACH C1 1886 1.623798571 3.095406707 0.670399086 1 ACH C2 1887 1.546011754 2.981811056 0.603662537 1 ACH O1 1888 1.577760450 2.929673709 0.496893880 1 ACH O2 1889 1.457433570 2.920552649 0.686702553 1 ACH H2 1890 1.441274468 2.834315343 0.638737967 1 ACH C1 1891 1.428883581 0.020790826 1.932538420 1 ACH C2 1892 1.578072616 3.543446249 1.909037069 1 ACH O1 1893 1.630414471 3.468531118 1.991374772 1 ACH O2 1894 1.650814543 3.632870070 1.836864277 1 ACH H2 1895 1.747359108 3.606974242 1.833845278 1 ACH C1 1896 1.842663238 1.887018530 3.293921883 1 ACH C2 1897 1.730450930 1.951229103 3.212126996 1 ACH O1 1898 1.752114012 1.984329871 3.095668631 1 ACH O2 1899 1.603716856 1.920279540 3.250548684 1 ACH H2 1900 1.549026884 1.968319203 3.181989857 1 ACH C1 1901 2.791283550 3.126524240 1.942859362 1 ACH C2 1902 2.935431069 3.177762598 1.943994727 1 ACH O1 1903 3.006998696 3.135333224 2.034575270 1 ACH O2 1904 2.968237606 3.240643953 1.827954678 1 ACH H2 1905 3.058358939 3.266315818 1.862863656 1 ACH C1 1906 1.972091642 3.029589007 2.573575702 1 ACH C2 1907 2.078548395 2.963920635 2.485474912 1 ACH O1 1908 2.146187674 3.023799267 2.401999333 1 ACH O2 1909 2.084689969 2.829011701 2.501448924 1 ACH H2 1910 2.160255073 2.817773459 2.436932384 1 ACH C1 1911 3.259899004 0.062025905 2.485541544 1 ACH C2 1912 3.156765027 3.509709585 2.539197837 1 ACH O1 1913 3.047059501 3.552526286 2.574676667 1 ACH O2 1914 3.164822520 3.382356973 2.492165762 1 ACH H2 1915 3.103119986 3.338944109 2.557793360 1 ACH C1 1916 2.427546971 0.558059350 0.075780999 1 ACH C2 1917 2.360010726 0.489117935 0.194493294 1 ACH O1 1918 2.256821013 0.524747085 0.251160231 1 ACH O2 1919 2.403397114 0.364475756 0.227274995 1 ACH H2 1920 2.319796345 0.324934767 0.265291069 1 ACH C1 1921 3.305919567 0.591446969 1.449331881 1 ACH C2 1922 3.269783230 0.739401087 1.463848249 1 ACH O1 1923 3.184179722 0.786122366 1.538800609 1 ACH O2 1924 3.313467832 0.817162906 1.361193476 1 ACH H2 1925 3.293939590 0.911524156 1.387921747 1 ACH C1 1926 0.918349669 3.028224393 1.593596309 1 ACH C2 1927 0.943641498 2.901376468 1.675318129 1 ACH O1 1928 1.056600272 2.888884982 1.722339591 1 ACH O2 1929 0.835055995 2.842010340 1.731718284 1 ACH H2 1930 0.872855318 2.779160976 1.799708319 1 ACH C1 1931 3.422709253 1.431594140 2.073527225 1 ACH C2 1932 3.305498690 1.345333132 2.120742161 1 ACH O1 1933 3.222429669 1.298316929 2.043187591 1 ACH O2 1934 3.292484956 1.305779807 2.250203616 1 ACH H2 1935 3.205414153 1.256838466 2.245551528 1 ACH C1 1936 0.054175236 3.529222895 3.137117345 1 ACH C2 1937 3.475606567 0.046053704 3.077777533 1 ACH O1 1938 3.441072078 0.150562610 3.132689670 1 ACH O2 1939 3.414039212 -0.018179949 2.974922657 1 ACH H2 1940 3.337445459 0.038420907 2.944416264 1 ACH C1 1941 2.404139265 0.635713705 2.345864338 1 ACH C2 1942 2.416924433 0.775784750 2.406064399 1 ACH O1 1943 2.359100941 0.807364231 2.509929094 1 ACH O2 1944 2.525440613 0.844873556 2.361967574 1 ACH H2 1945 2.526624893 0.929040045 2.415952737 1 ACH C1 1946 1.731488289 0.426960840 2.312250672 1 ACH C2 1947 1.780247880 0.420394193 2.167393823 1 ACH O1 1948 1.763317324 0.505756713 2.080482123 1 ACH O2 1949 1.854523890 0.307424538 2.152677900 1 ACH H2 1950 1.881013598 0.317726022 2.056807358 1 ACH C1 1951 3.402864290 0.792406035 3.064406364 1 ACH C2 1952 3.495302240 0.711758244 2.972986369 1 ACH O1 1953 3.442233467 0.635810804 2.892099204 1 ACH O2 1954 3.630194928 0.697413371 2.982672159 1 ACH H2 1955 3.648856050 0.632450556 2.908976403 1 ACH C1 1956 2.159241292 1.992788521 1.336042417 1 ACH C2 1957 2.140735962 1.900893027 1.215133981 1 ACH O1 1958 2.055624377 1.931181825 1.131670297 1 ACH O2 1959 2.216234654 1.788050312 1.207253890 1 ACH H2 1960 2.185352948 1.760462447 1.116232500 1 ACH C1 1961 2.727374637 0.360291420 2.558907978 1 ACH C2 1962 2.835690996 0.253239714 2.544157565 1 ACH O1 1963 2.927124819 0.270917114 2.463807951 1 ACH O2 1964 2.818393139 0.140827810 2.618745997 1 ACH H2 1965 2.895644966 0.077968618 2.609710191 1 ACH C1 1966 2.167851970 1.454689559 1.182348769 1 ACH C2 1967 2.239846992 1.397865539 1.059895225 1 ACH O1 1968 2.328726419 1.459249981 1.001064176 1 ACH O2 1969 2.207524731 1.273383845 1.015709615 1 ACH H2 1970 2.273902327 1.254751587 0.943279772 1 ACH C1 1971 0.365338624 1.603840206 1.350370327 1 ACH C2 1972 0.291140206 1.561556175 1.477311011 1 ACH O1 1973 0.278042528 1.442896867 1.506927124 1 ACH O2 1974 0.226243282 1.654280685 1.552701169 1 ACH H2 1975 0.187415264 1.612752463 1.634956320 1 ACH C1 1976 1.824153345 1.253380533 2.191448693 1 ACH C2 1977 1.920992023 1.202634867 2.084435648 1 ACH O1 1978 2.038334753 1.175141877 2.108976000 1 ACH O2 1979 1.877078972 1.205200074 1.955747301 1 ACH H2 1980 1.940860697 1.142953128 1.910405890 1 ACH C1 1981 1.070483878 1.548744553 2.989087184 1 ACH C2 1982 0.967398326 1.438434707 3.013776500 1 ACH O1 1983 0.965453973 1.370444257 3.116250665 1 ACH O2 1984 0.874099146 1.412415046 2.918309924 1 ACH H2 1985 0.824236516 1.342232683 2.969175615 1 ACH C1 1986 2.399438376 3.309348552 1.791472005 1 ACH C2 1987 2.308891734 3.215952083 1.871999884 1 ACH O1 1988 2.187698052 3.236039244 1.878106648 1 ACH O2 1989 2.366341268 3.102451522 1.920069895 1 ACH H2 1990 2.306335614 3.058725574 1.987064203 1 ACH C1 1991 2.639379273 1.344800037 1.771124553 1 ACH C2 1992 2.650486404 1.199649645 1.818162408 1 ACH O1 1993 2.626602017 1.164554890 1.933596489 1 ACH O2 1994 2.663700869 1.115748965 1.711947151 1 ACH H2 1995 2.685362141 1.030244726 1.759049993 1 ACH C1 1996 2.206187613 1.883840476 2.873132813 1 ACH C2 1997 2.280830063 2.017380600 2.875507330 1 ACH O1 1998 2.231287441 2.109130550 2.940746660 1 ACH O2 1999 2.394491849 2.039079583 2.804077673 1 ACH H2 2000 2.417967387 2.135254162 2.818189658 1 ACH C1 2001 2.293112788 0.353641586 3.275601021 1 ACH C2 2002 2.309525469 0.205782249 3.311277750 1 ACH O1 2003 2.225814617 0.139675951 3.372515403 1 ACH O2 2004 2.432819989 0.150254457 3.296760438 1 ACH H2 2005 2.421781905 0.053415148 3.319090284 1 ACH C1 2006 1.633142498 1.373508579 0.883401021 1 ACH C2 2007 1.727170779 1.255754150 0.909817399 1 ACH O1 2008 1.723227976 1.146113583 0.854220181 1 ACH O2 2009 1.828454805 1.288837752 0.994331588 1 ACH H2 2010 1.883692175 1.205498400 0.992802827 1 ACH C1 2011 2.630371441 1.233317190 0.784535237 1 ACH C2 2012 2.561488917 1.113704611 0.850539452 1 ACH O1 2013 2.441585251 1.114084790 0.878005328 1 ACH O2 2014 2.630768956 0.997383073 0.863440585 1 ACH H2 2015 2.556687969 0.931360688 0.875818988 1 ACH C1 2016 2.713456138 1.719733540 2.572603267 1 ACH C2 2017 2.607156791 1.813417705 2.630328943 1 ACH O1 2018 2.495092032 1.817577963 2.579830857 1 ACH O2 2019 2.648009110 1.906147077 2.721030585 1 ACH H2 2020 2.564311305 1.957867658 2.738909313 1 ACH C1 2021 1.268284014 1.551019227 1.764307958 1 ACH C2 2022 1.132729356 1.598138999 1.711302489 1 ACH O1 2023 1.116261135 1.625667374 1.592564932 1 ACH O2 2024 1.038983331 1.624962293 1.806106605 1 ACH H2 2025 0.963375873 1.667362980 1.756254880 1 ACH C1 2026 1.728043820 0.945804344 2.036491979 1 ACH C2 2027 1.738248453 0.794830868 2.013970553 1 ACH O1 2028 1.640431876 0.732291738 1.973370621 1 ACH O2 2029 1.858355226 0.747138694 1.971597844 1 ACH H2 2030 1.839955163 0.651535967 1.948806465 1 ACH C1 2031 2.420720297 1.548919670 2.774171088 1 ACH C2 2032 2.375937595 1.501046109 2.912409277 1 ACH O1 2033 2.441788495 1.415765248 2.971734891 1 ACH O2 2034 2.266036861 1.562762951 2.963447388 1 ACH H2 2035 2.261729896 1.532015408 3.058502504 1 ACH C1 2036 3.076113412 0.473040902 2.705932556 1 ACH C2 2037 3.217732913 0.416405980 2.717899951 1 ACH O1 2038 3.254068402 0.310010969 2.767785105 1 ACH O2 2039 3.317465021 0.485679873 2.656685173 1 ACH H2 2040 3.402519624 0.439792806 2.682363020 1 ACH C1 2041 2.497128208 1.376353494 0.140450542 1 ACH C2 2042 2.600040758 1.489026308 0.129460766 1 ACH O1 2043 2.707245657 1.479297817 0.188968421 1 ACH O2 2044 2.568212508 1.599465810 0.056782088 1 ACH H2 2045 2.651584385 1.654304894 0.063174944 1 ACH C1 2046 0.190211701 0.745546513 2.066128241 1 ACH C2 2047 0.170273927 0.706977675 2.212821567 1 ACH O1 2048 0.091293967 0.765059952 2.287092179 1 ACH O2 2049 0.251453754 0.608406811 2.259610961 1 ACH H2 2050 0.224248253 0.597276879 2.355190497 1 ACH C1 2051 2.872074158 2.637308473 1.250063898 1 ACH C2 2052 2.805214144 2.709959369 1.366934419 1 ACH O1 2053 2.755642080 2.819637471 1.341596318 1 ACH O2 2054 2.764819109 2.631499048 1.470397605 1 ACH H2 2055 2.705814451 2.694734192 1.520593957 1 ACH C1 2056 1.180908408 1.021986053 3.408516373 1 ACH C2 2057 1.171895794 1.135382687 3.510822876 1 ACH O1 2058 1.224037996 1.245676399 3.495164556 1 ACH O2 2059 1.093022303 1.105654468 3.617533637 1 ACH H2 2060 1.112455501 1.179292912 3.682331867 1 ACH C1 2061 2.197760909 1.575336917 2.148435090 1 ACH C2 2062 2.054591007 1.552742457 2.099479815 1 ACH O1 2063 1.960120306 1.536625229 2.176569267 1 ACH O2 2064 2.039381528 1.560115960 1.964535641 1 ACH H2 2065 1.941972050 1.540872040 1.952713257 1 ACH C1 2066 1.417003602 0.717211676 2.244905066 1 ACH C2 2067 1.395820618 0.568290223 2.272810664 1 ACH O1 2068 1.442622934 0.514415161 2.372983028 1 ACH O2 2069 1.316614755 0.500066690 2.185818667 1 ACH H2 2070 1.300300900 0.412324984 2.230916158 1 ACH C1 2071 2.420299006 2.818685541 2.169271520 1 ACH C2 2072 2.325096466 2.725377484 2.244339385 1 ACH O1 2073 2.216920080 2.761403750 2.290464632 1 ACH O2 2074 2.369924802 2.598476766 2.263890727 1 ACH H2 2075 2.310879598 2.564046209 2.336876407 1 ACH C1 2076 2.310569701 2.365170239 0.055346817 1 ACH C2 2077 2.224626220 2.246809864 0.100165247 1 ACH O1 2078 2.106373049 2.242800717 0.066584059 1 ACH O2 2079 2.295966898 2.132695213 0.119760675 1 ACH H2 2080 2.234672411 2.054587216 0.131597829 1 ACH C1 2081 2.650897304 3.224928407 0.293575144 1 ACH C2 2082 2.538780307 3.121161558 0.301800111 1 ACH O1 2083 2.423178011 3.153360477 0.328766012 1 ACH O2 2084 2.576418006 2.995854461 0.338910244 1 ACH H2 2085 2.495741382 2.937310174 0.346805445 1 ACH C1 2086 2.548947916 1.630465556 2.070911475 1 ACH C2 2087 2.546525707 1.700094669 1.934702491 1 ACH O1 2088 2.561447421 1.640944774 1.827897401 1 ACH O2 2089 2.524518570 1.833960912 1.944073122 1 ACH H2 2090 2.520449550 1.862271394 1.848258179 1 ACH C1 2091 0.919347954 1.217703690 0.848547089 1 ACH C2 2092 0.983756703 1.264181742 0.717786274 1 ACH O1 2093 1.095235442 1.234202840 0.675330993 1 ACH O2 2094 0.921224758 1.363270557 0.648761528 1 ACH H2 2095 0.992684970 1.389926661 0.584100751 1 ACH C1 2096 2.460405365 3.403463958 0.576340847 1 ACH C2 2097 2.324166437 3.406620547 0.506788574 1 ACH O1 2098 2.288736236 3.505902947 0.443429140 1 ACH O2 2099 2.229222459 3.319385012 0.550024161 1 ACH H2 2100 2.143571378 3.336673754 0.501395028 1 ACH C1 2101 1.430422232 3.490127209 1.499133227 1 ACH C2 2102 1.401139482 0.090194461 1.528855755 1 ACH O1 2103 1.367168550 0.153205125 1.428831799 1 ACH O2 2104 1.424784636 0.144683481 1.651197408 1 ACH H2 2105 1.384573408 0.235116662 1.636898891 1 ACH C1 2106 0.372423694 3.128163182 1.950184875 1 ACH C2 2107 0.250993476 3.101878993 2.039449633 1 ACH O1 2108 0.152906784 3.175952106 2.035046827 1 ACH O2 2109 0.262076560 3.003404268 2.132592109 1 ACH H2 2110 0.169778896 3.007302712 2.170863919 1 ACH C1 2111 0.439327804 2.877118676 0.092907758 1 ACH C2 2112 0.433046686 2.826184471 3.495899913 1 ACH O1 2113 0.334363781 2.765025005 3.455313198 1 ACH O2 2114 0.553745355 2.833983012 3.433725340 1 ACH H2 2115 0.536896581 2.812416462 3.337546375 1 ACH C1 2116 0.686089008 2.115142271 0.920134121 1 ACH C2 2117 0.607627607 2.194650579 0.815583822 1 ACH O1 2118 0.631062155 2.310156406 0.780442193 1 ACH O2 2119 0.529722076 2.114624907 0.737986966 1 ACH H2 2120 0.471336427 2.181770168 0.692368583 1 ACH C1 2121 2.721966420 1.726039404 0.947039739 1 ACH C2 2122 2.595813590 1.648277034 0.909015957 1 ACH O1 2123 2.500113637 1.711124183 0.864066545 1 ACH O2 2124 2.595408429 1.513206744 0.924788538 1 ACH H2 2125 2.499875445 1.490552204 0.943717706 1 ACH C1 2126 3.105237308 2.954436023 0.120550873 1 ACH C2 2127 2.965176841 2.978748742 0.064001885 1 ACH O1 2128 2.896930105 2.891205844 0.011027524 1 ACH O2 2129 2.922646724 3.107243582 0.077264314 1 ACH H2 2130 2.837933732 3.098949433 0.024782848 1 ACH C1 2131 0.536826737 2.250356257 1.730752484 1 ACH C2 2132 0.514774882 2.254314173 1.579407653 1 ACH O1 2133 0.606152700 2.246491387 1.497446729 1 ACH O2 2134 0.390470295 2.288498429 1.536129132 1 ACH H2 2135 0.407902031 2.276284644 1.438426751 1 ACH C1 2136 3.171181210 0.434653019 1.774179847 1 ACH C2 2137 3.118356740 0.533369483 1.878440321 1 ACH O1 2138 3.095476592 0.500182687 1.994646306 1 ACH O2 2139 3.122805572 0.659213545 1.827087411 1 ACH H2 2140 3.134116913 0.721853811 1.904201398 1 ACH C1 2141 2.599038385 2.375906683 1.098307424 1 ACH C2 2142 2.504438312 2.481984156 1.154900972 1 ACH O1 2143 2.387729559 2.500334811 1.120699940 1 ACH O2 2144 2.557544828 2.560151764 1.252702557 1 ACH H2 2145 2.476788346 2.614532329 1.275509041 1 ACH C1 2146 2.972959399 0.181550282 1.438576617 1 ACH C2 2147 2.995168587 0.331524177 1.418041516 1 ACH O1 2148 2.985736525 0.367723513 1.300869254 1 ACH O2 2149 2.972994292 0.417133048 1.521344090 1 ACH H2 2150 2.962870228 0.503716036 1.472337121 1 ACH C1 2151 3.336218977 2.694748909 0.376646909 1 ACH C2 2152 3.431310535 2.577074140 0.399327315 1 ACH O1 2153 3.502280444 2.563090223 0.498800858 1 ACH O2 2154 3.414458729 2.474692895 0.311408464 1 ACH H2 2155 3.479281332 2.407615723 0.347438298 1 ACH C1 2156 3.488120238 0.206399984 0.422713648 1 ACH C2 2157 3.540330482 0.343887424 0.464887413 1 ACH O1 2158 3.653033649 0.377994979 0.429343557 1 ACH O2 2159 3.472100939 0.419879080 0.554681390 1 ACH H2 2160 3.518272192 0.508484042 0.550544283 1 ACH C1 2161 3.172050194 0.285436519 1.051582682 1 ACH C2 2162 3.137684795 0.429010387 1.011464457 1 ACH O1 2163 3.031701277 0.466585249 0.961636412 1 ACH O2 2164 3.231386097 0.519633173 1.050235627 1 ACH H2 2165 3.174633932 0.599540585 1.030368882 1 ACH C1 2166 2.410355782 3.233423757 0.947849900 1 ACH C2 2167 2.556482379 3.278479071 0.943248269 1 ACH O1 2168 2.608241551 3.355693207 1.023785788 1 ACH O2 2169 2.635748679 3.210519210 0.856105066 1 ACH H2 2170 2.727549649 3.246114331 0.873538766 1 ACH C1 2171 2.687800445 2.040986896 0.620629615 1 ACH C2 2172 2.709432384 1.896683179 0.574632368 1 ACH O1 2173 2.721042084 1.809873199 0.660974996 1 ACH O2 2174 2.690993369 1.879257285 0.441021111 1 ACH H2 2175 2.717603407 1.783464840 0.430313539 1 ACH C1 2176 3.372990924 3.197891384 1.015038822 1 ACH C2 2177 3.355409899 3.140445546 0.874345069 1 ACH O1 2178 3.330133936 3.022240969 0.851631597 1 ACH O2 2179 3.387460101 3.227231040 0.774662122 1 ACH H2 2180 3.360387713 3.179083312 0.691313122 1 ACH C1 2181 1.814265616 2.017080206 1.677872909 1 ACH C2 2182 1.912035376 2.126656212 1.634946221 1 ACH O1 2183 2.014140851 2.152588103 1.698413419 1 ACH O2 2184 1.899776455 2.181770015 1.511226141 1 ACH H2 2185 1.975873700 2.246615805 1.509625941 1 ACH C1 2186 1.597218340 1.107983584 2.698555882 1 ACH C2 2187 1.677608495 1.004240077 2.619945540 1 ACH O1 2188 1.682391041 0.883945399 2.645121588 1 ACH O2 2189 1.726307656 1.049853273 2.501440457 1 ACH H2 2190 1.760685678 0.968914573 2.453841190 1 ACH C1 2191 0.192516262 3.373396016 2.636272026 1 ACH C2 2192 0.125369892 3.434083019 2.759624947 1 ACH O1 2193 0.181226350 3.526613584 2.818334787 1 ACH O2 2194 -0.005760422 3.402062017 2.776126991 1 ACH H2 2195 -0.029181122 3.448969135 2.861270763 1 ACH C1 2196 2.854280739 3.335675787 0.604810748 1 ACH C2 2197 2.929271893 3.423390928 0.504365394 1 ACH O1 2198 3.050801680 3.438246668 0.492596261 1 ACH O2 2199 2.850403966 3.443453315 0.395412780 1 ACH H2 2200 2.917137271 3.498198464 0.344928907 1 ACH C1 2201 1.531578682 1.222403342 1.932354371 1 ACH C2 2202 1.541414283 1.246326175 1.781570012 1 ACH O1 2203 1.484910697 1.345602452 1.735974970 1 ACH O2 2204 1.635310336 1.170526033 1.718852419 1 ACH H2 2205 1.616435576 1.184286889 1.621622964 1 ACH C1 2206 1.074033637 0.993527450 1.147443370 1 ACH C2 2207 1.110585389 1.138197941 1.181206172 1 ACH O1 2208 1.226107457 1.179849325 1.188089192 1 ACH O2 2209 0.999658641 1.215635980 1.195142940 1 ACH H2 2210 1.022916771 1.311148031 1.213440422 1 ACH C1 2211 1.895680871 2.067851259 0.705291026 1 ACH C2 2212 1.796620371 1.981419236 0.627028323 1 ACH O1 2213 1.806809833 1.859508705 0.639680811 1 ACH O2 2214 1.683347072 2.045179793 0.587053089 1 ACH H2 2215 1.629156206 1.975310318 0.540334779 1 ACH C1 2216 2.561488273 2.911364579 0.703881987 1 ACH C2 2217 2.498853826 2.785089079 0.763379490 1 ACH O1 2218 2.567060887 2.734152801 0.852148301 1 ACH O2 2219 2.397889265 2.726544892 0.693572984 1 ACH H2 2220 2.378295404 2.645068402 0.748139104 1 ACH C1 2221 2.627131819 0.404051030 1.850486398 1 ACH C2 2222 2.734578764 0.407157486 1.741618186 1 ACH O1 2223 2.814766050 0.499704608 1.730054272 1 ACH O2 2224 2.717255053 0.322658888 1.636488756 1 ACH H2 2225 2.757023512 0.360508622 1.552914695 1 ACH C1 2226 1.119632692 2.058458146 1.972466647 1 ACH C2 2227 1.133423564 1.906129890 1.969301701 1 ACH O1 2228 1.236648518 1.839970403 1.979111264 1 ACH O2 2229 1.012033739 1.844835633 1.970570990 1 ACH H2 2230 1.024439792 1.747538501 1.951099054 1 ACH C1 2231 3.395077901 2.094284561 0.091639626 1 ACH C2 2232 3.474543037 2.222825054 0.067836582 1 ACH O1 2233 3.437745274 2.315027359 -0.004771614 1 ACH O2 2234 3.559806397 2.248272858 0.170686938 1 ACH H2 2235 3.600006854 2.338054204 0.152765352 1 ACH C1 2236 2.742305163 1.102980668 0.265441066 1 ACH C2 2237 2.810980315 1.067306143 0.397419274 1 ACH O1 2238 2.892435883 1.134700707 0.460281487 1 ACH O2 2239 2.790996366 0.943026232 0.448882800 1 ACH H2 2240 2.820813847 0.952009818 0.543909171 1 ACH C1 2241 2.427298687 1.005309961 0.063973643 1 ACH C2 2242 2.412107305 0.957622506 3.466523124 1 ACH O1 2243 2.328160241 0.870030570 3.446293497 1 ACH O2 2244 2.500648832 0.997883278 3.371483047 1 ACH H2 2245 2.466077838 0.943202680 3.295234566 1 ACH C1 2246 2.829017689 0.028542823 1.822066977 1 ACH C2 2247 2.916341292 0.104606874 1.922033520 1 ACH O1 2248 3.036084997 0.077734423 1.930176335 1 ACH O2 2249 2.857836420 0.220027473 1.963877184 1 ACH H2 2250 2.931350270 0.248586926 2.025355053 1 ACH C1 2251 0.802200163 2.064802832 2.990842448 1 ACH C2 2252 0.743406187 2.099242399 3.127816321 1 ACH O1 2253 0.627476333 2.071675869 3.158274633 1 ACH O2 2254 0.810470396 2.199188842 3.191130831 1 ACH H2 2255 0.765160679 2.203683955 3.280155716 1 ACH C1 2256 3.003795433 1.853838924 2.056014178 1 ACH C2 2257 3.101262662 1.812081472 2.166303021 1 ACH O1 2258 3.205996054 1.871803597 2.190652130 1 ACH O2 2259 3.053935214 1.699064998 2.225299189 1 ACH H2 2260 3.122314748 1.668891934 2.291742128 1 ACH C1 2261 0.268074279 0.007926967 3.414097051 1 ACH C2 2262 0.409638907 0.057110604 3.383291962 1 ACH O1 2263 0.476197822 0.129992801 3.456667324 1 ACH O2 2264 0.468342127 -0.011977366 3.281923906 1 ACH H2 2265 0.559936497 0.023416305 3.300838311 1 ACH C1 2266 3.046377024 1.581319915 2.575783214 1 ACH C2 2267 3.192584845 1.586780209 2.531057163 1 ACH O1 2268 3.288042832 1.598789750 2.607687695 1 ACH O2 2269 3.210814924 1.583691703 2.396331985 1 ACH H2 2270 3.304320326 1.554051741 2.376910338 1 ACH C1 2271 3.338564564 3.508096581 1.209830087 1 ACH C2 2272 3.412002998 0.091915615 1.239274722 1 ACH O1 2273 3.517267394 0.120112247 1.182239191 1 ACH O2 2274 3.350422111 0.183583182 1.318631682 1 ACH H2 2275 3.415380041 0.256623217 1.339737257 1 ACH C1 2276 0.021520446 0.461380090 1.805129358 1 ACH C2 2277 0.060897851 0.577091040 1.713107968 1 ACH O1 2278 0.068315877 0.691600540 1.757363849 1 ACH O2 2279 0.085797540 0.538357270 1.585141850 1 ACH H2 2280 0.081968950 0.618880762 1.525975009 1 ACH C1 2281 2.298434731 1.232378945 2.314285340 1 ACH C2 2282 2.412593009 1.228535410 2.212493187 1 ACH O1 2283 2.409374056 1.306605789 2.117517282 1 ACH O2 2284 2.514677513 1.147190058 2.250654349 1 ACH H2 2285 2.586755624 1.165187242 2.183716725 1 ACH C1 2286 2.532735336 0.126460629 1.026113347 1 ACH C2 2287 2.426141131 0.202923999 1.104822482 1 ACH O1 2288 2.423020222 0.215859367 1.227092920 1 ACH O2 2289 2.319642930 0.232555209 1.025602840 1 ACH H2 2290 2.255247935 0.264672493 1.095034033 1 ACH C1 2291 3.394241971 0.089413210 1.622006330 1 ACH C2 2292 3.269486711 0.073651577 1.709142581 1 ACH O1 2293 3.167179569 0.029481229 1.657088585 1 ACH O2 2294 3.287769672 0.087496183 1.843193643 1 ACH H2 2295 3.195943682 0.077224449 1.881428679 1 ACH C1 2296 1.520221408 0.913924873 1.170343793 1 ACH C2 2297 1.654797232 0.966488465 1.220677607 1 ACH O1 2298 1.746499402 0.905652879 1.275617923 1 ACH O2 2299 1.688326645 1.094507348 1.189367804 1 ACH H2 2300 1.769006076 1.108865431 1.246664147 1 ACH C1 2301 2.638296318 2.547367239 2.448880277 1 ACH C2 2302 2.565314369 2.413635994 2.462842468 1 ACH O1 2303 2.459734890 2.412427536 2.525924330 1 ACH O2 2304 2.617320527 2.291805433 2.432047974 1 ACH H2 2305 2.552098130 2.224672004 2.467237733 1 ACH C1 2306 0.391650542 0.476468647 2.664515498 1 ACH C2 2307 0.263838593 0.560513704 2.661969201 1 ACH O1 2308 0.204535911 0.590077347 2.765592934 1 ACH O2 2309 0.215985811 0.596641701 2.539908222 1 ACH H2 2310 0.131434643 0.644859903 2.562840805 1 ACH C1 2311 0.271422332 0.695764875 3.260663877 1 ACH C2 2312 0.347942568 0.818853203 3.211649139 1 ACH O1 2313 0.385973215 0.908283640 3.287028594 1 ACH O2 2314 0.375734325 0.817635037 3.078529827 1 ACH H2 2315 0.432310556 0.898095273 3.060511055 1 ACH C1 2316 0.540232920 0.796138540 2.500827729 1 ACH C2 2317 0.449179878 0.852917596 2.391774175 1 ACH O1 2318 0.327593539 0.848144824 2.409737405 1 ACH O2 2319 0.514635389 0.932034198 2.302617931 1 ACH H2 2320 0.438424041 0.974257524 2.253533750 1 ACH C1 2321 2.001552969 0.848123023 1.075722259 1 ACH C2 2322 2.042525832 0.994556276 1.058862189 1 ACH O1 2323 1.981764141 1.076177861 0.989771467 1 ACH O2 2324 2.163483684 1.016448533 1.117047703 1 ACH H2 2325 2.164748587 1.115752074 1.105354165 1 ACH C1 2326 2.995991574 1.120572774 1.663522751 1 ACH C2 2327 3.041601709 1.177068021 1.798178569 1 ACH O1 2328 2.970229737 1.223915636 1.886716140 1 ACH O2 2329 3.167070062 1.142379581 1.837549009 1 ACH H2 2330 3.180729696 1.188605677 1.925155777 1 ACH C1 2331 3.159589473 2.525176451 2.258831303 1 ACH C2 2332 3.257571683 2.461477566 2.357565999 1 ACH O1 2333 3.378302026 2.473581840 2.337407472 1 ACH O2 2334 3.204690662 2.402151354 2.467915171 1 ACH H2 2335 3.286922121 2.353705395 2.497780856 1 ACH C1 2336 2.839398024 0.757395280 2.430413431 1 ACH C2 2337 2.978791833 0.694785622 2.437786245 1 ACH O1 2338 2.997166079 0.581510481 2.393516333 1 ACH O2 2339 3.075470373 0.786479104 2.464961480 1 ACH H2 2340 3.160925291 0.739293240 2.443269678 1 ACH C1 2341 2.786921905 1.417338808 2.238242349 1 ACH C2 2342 2.865746135 1.287770245 2.218061772 1 ACH O1 2343 2.987090023 1.284914971 2.237903403 1 ACH O2 2344 2.804027125 1.169266264 2.192724752 1 ACH H2 2345 2.883067609 1.108465344 2.185355904 1 ACH C1 2346 0.098902195 1.056634790 3.434392270 1 ACH C2 2347 3.506983938 1.044335179 3.496999836 1 ACH O1 2348 3.459412883 1.130172020 3.571138238 1 ACH O2 2349 3.446457889 0.922569277 3.494699953 1 ACH H2 2350 3.378583676 0.925794051 3.568052413 1 ACH C1 2351 2.171955956 1.714032645 3.380926686 1 ACH C2 2352 2.282676296 1.688867125 3.483465622 1 ACH O1 2353 2.266900000 1.695065569 3.605290836 1 ACH O2 2354 2.402038437 1.654619378 3.428042261 1 ACH H2 2355 2.464480456 1.638327302 3.504427122 1 ACH C1 2356 2.340372480 1.309891855 0.552786063 1 ACH C2 2357 2.223220851 1.223952118 0.600681809 1 ACH O1 2358 2.181615103 1.135294891 0.526279295 1 ACH O2 2359 2.177275032 1.244831900 0.726969748 1 ACH H2 2360 2.110154954 1.172533281 0.710600999 1 ACH C1 2361 2.364314479 3.518307450 2.750011882 1 ACH C2 2362 2.479756091 0.028789644 2.667794967 1 ACH O1 2363 2.454783181 0.107639443 2.576763559 1 ACH O2 2364 2.600338322 -0.034091779 2.666578897 1 ACH H2 2365 2.651803105 0.016853179 2.597618937 1 ACH C1 2366 2.107267319 2.490706902 0.746118871 1 ACH C2 2367 2.210612455 2.500779598 0.858481504 1 ACH O1 2368 2.326498437 2.533532752 0.833454218 1 ACH O2 2369 2.176979546 2.439859996 0.975315748 1 ACH H2 2370 2.247618356 2.459702467 1.043252510 1 ACH C1 2371 1.600057232 1.358975507 0.116677543 1 ACH C2 2372 1.538857411 1.266277522 0.011470197 1 ACH O1 2373 1.454126131 1.180990100 0.037457898 1 ACH O2 2374 1.579758580 1.286058596 -0.116703541 1 ACH H2 2375 1.533062913 1.218456508 -0.173688902 1 ACH C1 2376 1.992171712 1.234123882 2.561331523 1 ACH C2 2377 2.084794865 1.112573923 2.568646468 1 ACH O1 2378 2.206992029 1.123666094 2.577220360 1 ACH O2 2379 2.016063823 0.996291272 2.584446796 1 ACH H2 2380 2.075417251 0.918171134 2.603791396 1 ACH C1 2381 1.889811287 2.677369947 1.047631666 1 ACH C2 2382 1.803361125 2.599570125 1.147020534 1 ACH O1 2383 1.686369176 2.625706801 1.174540668 1 ACH O2 2384 1.874130437 2.538075411 1.245538205 1 ACH H2 2385 1.805830382 2.489308450 1.299902431 1 ACH C1 2386 2.924669287 2.645814932 2.853911388 1 ACH C2 2387 3.026734009 2.759213833 2.865350108 1 ACH O1 2388 3.022028137 2.857003814 2.790894290 1 ACH O2 2389 3.126458078 2.741673197 2.956128342 1 ACH H2 2390 3.183972915 2.822074519 2.941059946 1 ACH C1 2391 2.746239496 2.345587200 2.809023620 1 ACH C2 2392 2.616934771 2.416785618 2.849247827 1 ACH O1 2393 2.598899194 2.537005219 2.830521903 1 ACH O2 2394 2.515460561 2.326704633 2.840233244 1 ACH H2 2395 2.432031055 2.372174649 2.871395498 1 ACH C1 2396 3.342348663 0.614866729 2.156209880 1 ACH C2 2397 3.388443925 0.581679308 2.298270277 1 ACH O1 2398 3.478279300 0.500182830 2.318619435 1 ACH O2 2399 3.319793202 0.635748243 2.402478028 1 ACH H2 2400 3.362662132 0.591526472 2.481249838 1 ACH C1 2401 3.535451873 2.931363255 3.407194261 1 ACH C2 2402 3.501656528 2.808611154 3.492017134 1 ACH O1 2403 3.559239009 2.700757327 3.478629296 1 ACH O2 2404 3.420951613 2.839484557 3.597037021 1 ACH H2 2405 3.397836343 2.747790916 3.629547075 1 ACH C1 2406 2.468143956 2.439426898 0.514541251 1 ACH C2 2407 2.608750695 2.418199869 0.571000851 1 ACH O1 2408 2.697037721 2.377497163 0.495652603 1 ACH O2 2409 2.625746319 2.423733447 0.705812469 1 ACH H2 2410 2.719426482 2.397963952 0.729471683 1 ACH C1 2411 3.468228589 2.067330195 0.800757713 1 ACH C2 2412 0.021056172 2.053896004 0.915793081 1 ACH O1 2413 0.020892548 2.125327439 1.015918907 1 ACH O2 2414 0.134900513 1.981607219 0.898202615 1 ACH H2 2415 0.171948883 1.963552190 0.989303941 1 ACH C1 2416 1.836412572 3.341947053 1.491228607 1 ACH C2 2417 1.824651318 3.403245114 1.351551441 1 ACH O1 2418 1.784974513 3.519268864 1.341967807 1 ACH O2 2419 1.873540340 3.333261229 1.245684797 1 ACH H2 2420 1.865289444 3.389143279 1.163179300 1 ACH C1 2421 1.796911082 1.657385803 1.277238555 1 ACH C2 2422 1.811559200 1.520274185 1.210969059 1 ACH O1 2423 1.827268857 1.418007441 1.277477818 1 ACH O2 2424 1.838310506 1.530699593 1.078038288 1 ACH H2 2425 1.850641783 1.439545499 1.038812406 1 ACH C1 2426 2.422644701 2.881678488 1.105669551 1 ACH C2 2427 2.334090920 2.789825472 1.190097456 1 ACH O1 2428 2.351796037 2.754016068 1.306428493 1 ACH O2 2429 2.222366383 2.749606609 1.123815982 1 ACH H2 2430 2.211581439 2.664544091 1.175270957 1 ACH C1 2431 2.539958051 0.003533552 1.484942920 1 ACH C2 2432 2.603427725 3.499757622 1.355382049 1 ACH O1 2433 2.698140442 3.563601580 1.309762581 1 ACH O2 2434 2.529645529 3.424519724 1.269410699 1 ACH H2 2435 2.574007733 3.441854734 1.181488719 1 ACH C1 2436 2.112345164 1.664159877 2.523748145 1 ACH C2 2437 1.961590248 1.652434235 2.546976651 1 ACH O1 2438 1.886230833 1.643281996 2.450205232 1 ACH O2 2439 1.923511195 1.639805312 2.676923266 1 ACH H2 2440 1.824139101 1.630906027 2.670201430 1 ACH C1 2441 2.702295671 3.305111145 3.372399883 1 ACH C2 2442 2.672511685 3.156724842 3.394802214 1 ACH O1 2443 2.696833742 3.109834755 3.505880798 1 ACH O2 2444 2.621232697 3.094491415 3.285300549 1 ACH H2 2445 2.608466335 2.996635869 3.301459460 1 ACH C1 2446 3.016193312 1.477257021 0.010297144 1 ACH C2 2447 3.143763516 1.431431326 0.081268784 1 ACH O1 2448 3.248533313 1.445231068 0.018318313 1 ACH O2 2449 3.124559528 1.384943784 0.207624401 1 ACH H2 2450 3.212806517 1.350322769 0.239482113 1 ACH C1 2451 0.170032813 0.218334809 0.976534363 1 ACH C2 2452 0.046241437 0.257463235 0.895611273 1 ACH O1 2453 -0.057073652 0.296790312 0.949523181 1 ACH O2 2454 0.051556496 0.236799036 0.761296835 1 ACH H2 2455 -0.041286227 0.271812439 0.748854904 1 ACH C1 2456 2.558016774 0.507587353 1.182636933 1 ACH C2 2457 2.679466206 0.447245980 1.253451281 1 ACH O1 2458 2.675240373 0.413697993 1.371706190 1 ACH O2 2459 2.777639796 0.415556373 1.164832199 1 ACH H2 2460 2.854336286 0.397408347 1.226377863 1 ACH C1 2461 0.209518374 2.588728398 1.448114893 1 ACH C2 2462 0.296633140 2.651503285 1.339124716 1 ACH O1 2463 0.406773705 2.700411935 1.363712441 1 ACH O2 2464 0.241162356 2.649231694 1.214985523 1 ACH H2 2465 0.302169650 2.688816048 1.146335850 1 ACH C1 2466 3.303505774 3.115120447 2.720710910 1 ACH C2 2467 3.233518050 3.083094190 2.852935423 1 ACH O1 2468 3.252142299 2.976363768 2.911162986 1 ACH O2 2469 3.141645725 3.173500095 2.896285821 1 ACH H2 2470 3.102641888 3.133009773 2.978975681 1 ACH C1 2471 3.306687146 2.509380959 3.092598526 1 ACH C2 2472 3.405510819 2.617168769 3.047623562 1 ACH O1 2473 3.484523053 2.604751152 2.954180722 1 ACH O2 2474 3.403708995 2.732827532 3.119126037 1 ACH H2 2475 3.480541730 2.785346597 3.082558969 1 ACH C1 2476 2.465591796 1.807874500 3.151885283 1 ACH C2 2477 2.600948879 1.803557212 3.080701934 1 ACH O1 2478 2.680454903 1.896047210 3.096610646 1 ACH O2 2479 2.632769448 1.698637162 3.000252526 1 ACH H2 2480 2.729263865 1.720245688 2.985377461 1 ACH C1 2481 2.798482527 2.350987957 3.334862349 1 ACH C2 2482 2.730269825 2.474634188 3.275991897 1 ACH O1 2483 2.662589499 2.480372918 3.173448563 1 ACH O2 2484 2.781979494 2.592459032 3.320001564 1 ACH H2 2485 2.728903320 2.664128188 3.274766069 1 ACH C1 2486 2.611196116 3.247566210 3.025934174 1 ACH C2 2487 2.500326626 3.318743370 3.103708685 1 ACH O1 2488 2.406802158 3.252675462 3.148618596 1 ACH O2 2489 2.498568495 3.451876521 3.131367684 1 ACH H2 2490 2.400715987 3.471710160 3.136893308 1 ACH C1 2491 2.865359905 2.600207387 0.794897535 1 ACH C2 2492 2.943971005 2.500573067 0.709463184 1 ACH O1 2493 3.051876691 2.539886158 0.665422990 1 ACH O2 2494 2.915553943 2.368075504 0.720918786 1 ACH H2 2495 2.981248238 2.325102553 0.658975233 1 ACH C1 2496 3.238339222 0.971174015 2.247589617 1 ACH C2 2497 3.110150334 0.937599548 2.171137575 1 ACH O1 2498 3.010745730 1.009830968 2.176513676 1 ACH O2 2499 3.107222914 0.835812569 2.080990651 1 ACH H2 2500 3.011525107 0.838798892 2.052158720 1 ACH C1 2501 2.727361916 1.930078651 2.290330459 1 ACH C2 2502 2.613561070 2.011274556 2.228160367 1 ACH O1 2503 2.629913994 2.097819767 2.142321313 1 ACH O2 2504 2.485546285 1.972838978 2.253247116 1 ACH H2 2505 2.434836387 2.045515317 2.206930819 1 ACH C1 2506 2.964625081 0.043527910 3.068888110 1 ACH C2 2507 3.046185105 0.131368080 2.973813212 1 ACH O1 2508 3.002327512 0.233999110 2.922121066 1 ACH O2 2509 3.167927483 0.093142555 2.926793251 1 ACH H2 2510 3.207341989 0.170180161 2.876687937 1 ACH C1 2511 0.486613965 0.365876505 1.050476778 1 ACH C2 2512 0.627095765 0.374177020 0.990469912 1 ACH O1 2513 0.720755998 0.298148742 1.014446320 1 ACH O2 2514 0.642896182 0.478313997 0.904438151 1 ACH H2 2515 0.740706396 0.496113489 0.915183327 1 ACH C1 2516 0.056102085 2.976159713 0.311602404 1 ACH C2 2517 0.104188338 3.089261832 0.402710172 1 ACH O1 2518 0.083339584 3.092386968 0.523884422 1 ACH O2 2519 0.175481918 3.191335820 0.347994969 1 ACH H2 2520 0.188794213 3.246920977 0.430044293 1 ACH C1 2521 3.117087256 0.309610204 0.333080460 1 ACH C2 2522 3.131675634 0.167773521 0.277636115 1 ACH O1 2523 3.235244524 0.115562653 0.236709079 1 ACH O2 2524 3.015679546 0.097095804 0.270913407 1 ACH H2 2525 3.039602735 0.023190315 0.207949338 1 ACH C1 2526 1.190884637 1.160873324 1.705689434 1 ACH C2 2527 1.063594061 1.243005473 1.684345790 1 ACH O1 2528 1.030527049 1.297147408 1.578977005 1 ACH O2 2529 0.998526260 1.279154886 1.798165947 1 ACH H2 2530 0.923744649 1.332065919 1.758078721 1 ACH C1 2531 2.105870795 2.875664702 0.732515651 1 ACH C2 2532 2.125267807 3.002504213 0.649184851 1 ACH O1 2533 2.029345495 3.043540223 0.584064249 1 ACH O2 2534 2.241073366 3.071017312 0.668922426 1 ACH H2 2535 2.225220426 3.153295208 0.614347550 1 ACH C1 2536 2.689235742 0.749838326 1.513833788 1 ACH C2 2537 2.841123154 0.731391078 1.514706573 1 ACH O1 2538 2.899389757 0.661004698 1.432369125 1 ACH O2 2539 2.899960094 0.767670529 1.631821478 1 ACH H2 2540 2.995351011 0.737704048 1.633290094 1 ACH C1 2541 2.550209094 2.814690397 3.008731569 1 ACH C2 2542 2.688178441 2.846656689 3.066581885 1 ACH O1 2543 2.776784403 2.909431292 3.008828849 1 ACH O2 2544 2.702940692 2.798838673 3.193037966 1 ACH H2 2545 2.799893636 2.818906800 3.207069417 1 ACH C1 2546 1.009744700 0.461926343 3.108385292 1 ACH C2 2547 0.912112732 0.356197955 3.056475799 1 ACH O1 2548 0.803257408 0.380905837 3.004828240 1 ACH O2 2549 0.966116258 0.231856305 3.067356981 1 ACH H2 2550 0.900703628 0.184280566 3.008561445 1 ACH C1 2551 0.304326867 3.376059370 1.114090920 1 ACH C2 2552 0.293289481 3.240308587 1.044398299 1 ACH O1 2553 0.386010180 3.159688295 1.038747163 1 ACH O2 2554 0.165575347 3.215819917 1.004620395 1 ACH H2 2555 0.178681092 3.145614593 0.934628144 1 ACH C1 2556 2.820067438 3.210514748 2.742788695 1 ACH C2 2557 2.812284949 3.200982450 2.590285922 1 ACH O1 2558 2.759816123 3.106642996 2.531355670 1 ACH O2 2559 2.891886685 3.294545687 2.531939713 1 ACH H2 2560 2.879780857 3.290755172 2.432751841 END VELOCITY # first 24 chars ignored 1 ACH C1 1 0.331745587 0.058245337 0.172917291 1 ACH C2 2 0.048078594 0.346015888 -0.152225979 1 ACH O1 3 -0.050436964 0.011156684 -0.102377002 1 ACH O2 4 -0.686523804 -0.284891691 -0.052164016 1 ACH H2 5 -0.017931436 1.461131918 -0.950519653 1 ACH C1 6 0.157478633 -0.197150724 0.341999910 1 ACH C2 7 0.555345965 0.003311699 0.172152206 1 ACH O1 8 0.575950283 0.154915441 0.000091500 1 ACH O2 9 -0.520442522 0.037815082 -0.285928611 1 ACH H2 10 -1.546838069 2.259601822 1.032941800 1 ACH C1 11 0.610875737 -0.216948005 -0.098441327 1 ACH C2 12 -0.202297001 0.305231773 -0.262463046 1 ACH O1 13 -1.036917647 0.218011590 0.611794658 1 ACH O2 14 -0.115609985 0.251539026 -0.012517440 1 ACH H2 15 0.705305275 -1.655244709 0.142113349 1 ACH C1 16 -0.787304849 0.325640163 0.014098369 1 ACH C2 17 0.458344449 -0.241420699 0.078725727 1 ACH O1 18 -0.175477251 -0.547042301 0.036785847 1 ACH O2 19 -0.134251231 0.227380497 -0.325504596 1 ACH H2 20 -0.639367919 -0.375143991 0.991780024 1 ACH C1 21 0.182933531 0.095184621 -0.171956978 1 ACH C2 22 0.390177771 0.116740759 -0.217923363 1 ACH O1 23 0.176348626 -0.241565182 -0.016031543 1 ACH O2 24 0.446317916 -0.241756258 0.111202065 1 ACH H2 25 -3.511243946 0.041622488 1.332750342 1 ACH C1 26 -0.617885790 -0.196193697 -0.034803084 1 ACH C2 27 -0.007310261 1.084645873 0.540284710 1 ACH O1 28 -0.035187163 0.058742914 -0.400598026 1 ACH O2 29 -0.173657736 -0.172512157 -0.333637715 1 ACH H2 30 -0.362464582 2.237604133 -3.148067588 1 ACH C1 31 -0.136222145 0.211387891 0.008246699 1 ACH C2 32 0.077197151 -0.062305959 0.057090706 1 ACH O1 33 0.934304793 0.077576992 -0.186464100 1 ACH O2 34 0.072857115 -0.007045928 -0.639017958 1 ACH H2 35 1.078439015 -0.902707567 -0.130856542 1 ACH C1 36 0.349457865 0.480982513 0.387294364 1 ACH C2 37 -0.043827086 0.099718351 0.564036203 1 ACH O1 38 -0.361840809 0.065899468 -0.431088001 1 ACH O2 39 0.117065144 -0.162862299 0.331778319 1 ACH H2 40 -0.710885007 1.905171192 -1.911106411 1 ACH C1 41 -0.075119866 0.304847754 0.410919275 1 ACH C2 42 -0.249193881 0.005111028 1.317265273 1 ACH O1 43 0.258590870 0.402695061 -0.096328720 1 ACH O2 44 -0.019794134 -0.397697674 -0.448663859 1 ACH H2 45 1.053533158 0.048056360 -1.903690488 1 ACH C1 46 0.186463310 0.091111486 -0.445788193 1 ACH C2 47 0.079431919 -0.229685898 -0.139226698 1 ACH O1 48 0.044533665 0.397093438 0.133663014 1 ACH O2 49 0.382171558 -0.201679933 -0.058927239 1 ACH H2 50 -0.785204451 -0.892063464 1.563423923 1 ACH C1 51 -0.506269041 -0.099089514 0.134696071 1 ACH C2 52 0.465726315 0.000688157 0.133804545 1 ACH O1 53 -0.248557449 0.322914035 -0.296614836 1 ACH O2 54 -0.182265396 -0.396546183 0.523347892 1 ACH H2 55 1.247731339 -1.429611794 -0.057150072 1 ACH C1 56 -0.086254561 -0.745257707 -0.917389508 1 ACH C2 57 -0.542090345 -0.116713924 -0.370020851 1 ACH O1 58 -0.458659042 0.010138864 -0.135006147 1 ACH O2 59 -0.545653053 -0.101671450 -0.326101902 1 ACH H2 60 -2.294163689 1.558577033 -0.361024457 1 ACH C1 61 -0.077896005 0.268477809 -0.691954695 1 ACH C2 62 -0.511022521 -0.044307390 -0.388425315 1 ACH O1 63 0.179452451 -0.228248839 -0.533909046 1 ACH O2 64 -0.280605343 0.196013384 0.033468958 1 ACH H2 65 -0.419400594 -0.082849193 -1.500589398 1 ACH C1 66 0.265315319 0.267544916 0.411278873 1 ACH C2 67 -0.016843960 0.394485637 0.577659811 1 ACH O1 68 0.112723548 -0.489878596 0.402749160 1 ACH O2 69 0.128993953 -0.160138346 0.041940731 1 ACH H2 70 2.899207314 0.567834464 -1.236625355 1 ACH C1 71 -0.215777527 0.046296601 -0.530273196 1 ACH C2 72 -0.104381616 0.023316295 -0.590894445 1 ACH O1 73 -0.185995978 -0.106484789 0.146895015 1 ACH O2 74 0.125245532 -0.205436591 -0.355285973 1 ACH H2 75 2.405567425 0.665902024 -1.050211699 1 ACH C1 76 -0.347616621 -0.369641790 -0.211255275 1 ACH C2 77 0.199520941 -0.140652056 -0.184677487 1 ACH O1 78 0.260082748 0.079727279 -0.116337546 1 ACH O2 79 -0.121767990 0.284137707 0.104221194 1 ACH H2 80 -1.541425792 -1.816280126 0.448466599 1 ACH C1 81 0.394876416 0.132718777 -0.065191148 1 ACH C2 82 0.120558486 0.054713206 0.179331951 1 ACH O1 83 -0.563197271 -0.275510466 -0.007724436 1 ACH O2 84 0.217254947 -0.052958318 0.063957794 1 ACH H2 85 2.287535913 -2.371911798 -0.236173686 1 ACH C1 86 0.016585511 -0.787273058 -0.127762317 1 ACH C2 87 -0.010296838 -0.121096871 -0.347028084 1 ACH O1 88 0.367992293 0.232663116 -0.427474540 1 ACH O2 89 0.155083685 0.078215600 -0.377032538 1 ACH H2 90 1.329595331 -0.689119269 1.250236272 1 ACH C1 91 0.080441163 0.052015037 0.303872685 1 ACH C2 92 -0.028007695 -0.010472063 -0.029203128 1 ACH O1 93 -0.221916519 0.032202376 0.092056888 1 ACH O2 94 -0.057959563 -0.175731815 -0.269379473 1 ACH H2 95 2.715495981 1.450904818 -0.668643481 1 ACH C1 96 -0.048905971 0.266350431 -0.289935709 1 ACH C2 97 -0.226833792 0.601247021 0.250445465 1 ACH O1 98 0.628724780 -0.112761758 0.235142812 1 ACH O2 99 -0.298782412 -0.316932343 -0.183096004 1 ACH H2 100 2.176798404 -0.171522086 -1.083494469 1 ACH C1 101 -0.165573962 0.127695192 -0.239139682 1 ACH C2 102 0.351636931 0.099731157 0.422274279 1 ACH O1 103 0.705069616 -0.164717236 0.127295513 1 ACH O2 104 0.320880824 -0.328493068 0.315601182 1 ACH H2 105 -0.903012213 0.167702757 -0.973244931 1 ACH C1 106 0.321768653 -0.283443024 0.730171159 1 ACH C2 107 -0.337392031 0.436592673 0.098315071 1 ACH O1 108 0.159369185 -0.237887731 0.311833764 1 ACH O2 109 0.230078888 -0.810206778 0.211706881 1 ACH H2 110 -0.704202396 1.755932838 1.183882899 1 ACH C1 111 -0.125539147 -0.071564434 0.113414782 1 ACH C2 112 -0.222060163 -0.611441487 -0.343697786 1 ACH O1 113 0.763277741 0.023371120 0.824589880 1 ACH O2 114 0.266186647 0.029727485 0.246129284 1 ACH H2 115 0.479154870 -1.806020665 -0.417434869 1 ACH C1 116 0.306726674 0.157559254 0.412166069 1 ACH C2 117 0.232826153 0.157073669 0.495006816 1 ACH O1 118 -0.878341776 0.075617475 0.531620685 1 ACH O2 119 -0.212859788 0.455110833 -0.388480319 1 ACH H2 120 -0.244872149 -1.028758729 -1.186303948 1 ACH C1 121 0.052528023 0.317099221 0.030798973 1 ACH C2 122 -0.034571155 0.183277402 -0.036103253 1 ACH O1 123 -0.330281514 0.033375370 -0.494591108 1 ACH O2 124 0.121773096 0.000449732 -0.018025053 1 ACH H2 125 1.039810464 -0.059556085 2.190013198 1 ACH C1 126 -0.054974997 0.123015772 0.142293295 1 ACH C2 127 -0.243264591 0.202883344 0.106191631 1 ACH O1 128 -0.423973136 0.309009119 0.131824242 1 ACH O2 129 -0.082537539 0.182221446 0.106792691 1 ACH H2 130 0.935683988 -0.725429202 0.300514064 1 ACH C1 131 0.444622279 -0.116053079 -0.042608901 1 ACH C2 132 0.045003676 0.103173754 -0.013106976 1 ACH O1 133 0.160110049 -0.482962232 0.120473666 1 ACH O2 134 -0.258913992 -0.081050220 -0.055679473 1 ACH H2 135 0.538363977 -1.201307260 -1.679026555 1 ACH C1 136 0.851088481 0.061230944 -0.331694480 1 ACH C2 137 0.652578555 -0.437055126 -0.185203773 1 ACH O1 138 0.033368208 0.332331078 0.113972025 1 ACH O2 139 -0.047893533 -0.315781943 0.184150934 1 ACH H2 140 0.605982430 -2.091589776 0.961309866 1 ACH C1 141 -0.182863208 -0.195849211 -0.647943253 1 ACH C2 142 0.114254712 -0.017925996 -0.520022591 1 ACH O1 143 0.346836296 -0.660650353 -0.526590005 1 ACH O2 144 0.450296696 0.003988617 0.316039494 1 ACH H2 145 0.455296795 2.656546056 -2.327539994 1 ACH C1 146 -0.478229602 -0.205127510 0.249077833 1 ACH C2 147 -0.567674262 -0.130252256 0.135699136 1 ACH O1 148 -0.239968559 0.049456205 0.194223951 1 ACH O2 149 0.060776537 0.480338922 0.712874323 1 ACH H2 150 -0.892620432 -1.035211752 0.870537280 1 ACH C1 151 0.451918959 -0.060065263 -0.174399198 1 ACH C2 152 -0.238049231 0.184421175 0.050735537 1 ACH O1 153 -0.593958235 0.318133551 -0.280282192 1 ACH O2 154 -0.357392509 0.036516818 0.077211325 1 ACH H2 155 0.463520969 -0.695238763 -1.002316065 1 ACH C1 156 -0.004736284 0.268213374 0.737921537 1 ACH C2 157 0.167752531 0.594795411 0.601042124 1 ACH O1 158 -0.131909203 -0.147077184 0.147992948 1 ACH O2 159 -0.620659026 0.194656315 0.116559745 1 ACH H2 160 -0.732297686 -0.239137564 0.133075798 1 ACH C1 161 0.458515715 0.008389403 -0.491167678 1 ACH C2 162 0.508156629 0.101913856 -0.067217371 1 ACH O1 163 0.492247905 0.226436369 -0.240826942 1 ACH O2 164 0.220237473 0.031393311 -0.035770986 1 ACH H2 165 0.649560245 0.633677948 1.492314886 1 ACH C1 166 -0.056530183 0.247731836 0.515803456 1 ACH C2 167 -0.014599883 0.015819430 0.199102639 1 ACH O1 168 0.183699450 -0.114621205 -0.042314147 1 ACH O2 169 0.236870926 0.411149414 -0.984556655 1 ACH H2 170 -0.497371310 1.167649532 -0.942034988 1 ACH C1 171 0.628686106 -0.422904301 0.653187187 1 ACH C2 172 -0.007489896 0.067378545 0.000906523 1 ACH O1 173 0.317382724 0.094409977 0.080398282 1 ACH O2 174 0.317828109 0.292823689 0.464147057 1 ACH H2 175 -0.037037641 1.693107608 -1.685975535 1 ACH C1 176 -0.321526754 -0.079094513 -0.157871805 1 ACH C2 177 0.395704117 0.231682195 -0.183407024 1 ACH O1 178 -0.451353301 -0.099645442 0.073715106 1 ACH O2 179 0.830118631 0.319006019 -0.211390485 1 ACH H2 180 -0.767299916 0.381114372 0.507999567 1 ACH C1 181 -0.050510327 -0.185301667 -0.130417533 1 ACH C2 182 -0.087350612 -0.014990551 -0.084715575 1 ACH O1 183 0.345134244 -0.227540925 0.689756225 1 ACH O2 184 0.384292644 0.067857782 -0.349103097 1 ACH H2 185 -1.035301019 -1.343679893 -0.124150526 1 ACH C1 186 -0.275001552 0.062722316 -0.245336977 1 ACH C2 187 -0.298567328 -0.088416178 -0.339145923 1 ACH O1 188 -0.615784299 -0.681864284 -0.062170744 1 ACH O2 189 -0.174785920 -0.138201103 0.438373640 1 ACH H2 190 -3.726857640 -0.676643782 -1.246813850 1 ACH C1 191 -0.771414639 0.442569138 0.243354917 1 ACH C2 192 0.056517988 0.044947621 0.229685410 1 ACH O1 193 -0.041858959 0.849226270 -0.072598259 1 ACH O2 194 0.371772498 -0.326511501 0.231570855 1 ACH H2 195 -0.268588155 1.253309474 0.998522471 1 ACH C1 196 0.011466295 -0.181726565 -0.097758147 1 ACH C2 197 0.170861764 -0.343629125 -0.319742312 1 ACH O1 198 0.160161954 -0.282402750 0.038954216 1 ACH O2 199 -0.078245663 0.285950784 -0.567118062 1 ACH H2 200 2.555198107 1.593125124 0.635561721 1 ACH C1 201 -0.538672319 -0.058824115 0.168956157 1 ACH C2 202 -0.227450899 -0.204784269 -0.278810919 1 ACH O1 203 -0.601328426 0.498637703 0.407734871 1 ACH O2 204 -0.186161159 -0.171096667 0.290478870 1 ACH H2 205 0.730802073 -0.455862540 -0.257765789 1 ACH C1 206 0.216866272 0.770384324 0.424330009 1 ACH C2 207 0.184157735 0.063767321 -0.358263028 1 ACH O1 208 -0.682185081 -0.226161498 -0.144268210 1 ACH O2 209 -0.113911674 0.230538058 0.179872075 1 ACH H2 210 -0.325965430 -0.216937579 -1.136842079 1 ACH C1 211 -0.415451887 0.492546542 0.236859009 1 ACH C2 212 -0.139881489 -0.265524955 0.317867064 1 ACH O1 213 -0.092422505 0.084787576 0.157336087 1 ACH O2 214 -0.143589319 -0.238683091 -0.578052329 1 ACH H2 215 -2.238399320 -0.161902075 -0.884794946 1 ACH C1 216 -0.483773373 0.059294835 -0.285253755 1 ACH C2 217 -0.226835925 0.000746491 -0.150161661 1 ACH O1 218 -0.282153065 -0.067885434 -0.284233549 1 ACH O2 219 -0.428893048 0.166930214 -0.097106817 1 ACH H2 220 -2.569619739 -1.308822568 1.754081567 1 ACH C1 221 -0.366481342 -0.487900373 -0.046181596 1 ACH C2 222 0.315450358 0.084461556 -0.274327055 1 ACH O1 223 -0.242737021 -0.243161719 -0.350642652 1 ACH O2 224 -0.248114220 -0.541348062 -0.315227389 1 ACH H2 225 -0.946561747 -0.519976846 3.369340096 1 ACH C1 226 -0.406406538 -0.403320415 0.187208286 1 ACH C2 227 0.713402131 -0.030774109 0.364573192 1 ACH O1 228 0.462873583 -0.067361484 -0.038825331 1 ACH O2 229 -0.517853185 0.196173211 -0.118652587 1 ACH H2 230 1.941644300 1.310848759 -0.811279423 1 ACH C1 231 0.233136392 -0.355367548 -0.149794245 1 ACH C2 232 0.279418612 -0.040805071 0.099554623 1 ACH O1 233 0.218788280 0.209664085 0.123302611 1 ACH O2 234 -0.457247765 0.406549559 0.368836267 1 ACH H2 235 -1.246256484 -0.377102089 0.345165178 1 ACH C1 236 -0.300638447 -0.452787250 0.255537892 1 ACH C2 237 -0.349767714 -0.381953695 0.118747806 1 ACH O1 238 0.028819848 -0.322524892 0.125785967 1 ACH O2 239 0.054930680 0.059530896 -0.097670396 1 ACH H2 240 2.425859154 -1.926188315 3.122510660 1 ACH C1 241 0.052353280 -0.144627049 0.058112235 1 ACH C2 242 0.188269376 -0.141855269 0.476066599 1 ACH O1 243 -0.261993909 0.120922565 0.368879574 1 ACH O2 244 0.219034668 0.251936905 0.690069223 1 ACH H2 245 -1.166338825 0.166782506 -5.109640558 1 ACH C1 246 -0.148661323 -0.147737744 0.178357133 1 ACH C2 247 0.109413278 -0.100773529 0.203921696 1 ACH O1 248 -0.358893150 -0.420379944 -0.259465393 1 ACH O2 249 -0.325500976 -0.455792281 -0.296368247 1 ACH H2 250 2.013121236 -0.434984035 0.757317979 1 ACH C1 251 -0.539548937 -0.230301742 0.144811519 1 ACH C2 252 -0.231745650 -0.428755392 0.220979171 1 ACH O1 253 -0.370738466 -0.431986271 0.383048438 1 ACH O2 254 -0.063178687 0.058355317 0.144243829 1 ACH H2 255 2.063577772 -1.543524259 -0.369979302 1 ACH C1 256 -0.509740585 -0.511646744 -0.033623536 1 ACH C2 257 -0.751534108 -0.424483872 0.154202122 1 ACH O1 258 0.123354714 -0.075717985 0.562566990 1 ACH O2 259 0.202070787 0.305587221 -0.365189742 1 ACH H2 260 -1.552601032 1.578464634 1.305696762 1 ACH C1 261 0.248036946 0.252481530 0.954766993 1 ACH C2 262 0.101639416 -0.107246329 0.204508997 1 ACH O1 263 0.376394585 0.124856346 0.253487260 1 ACH O2 264 -0.294798927 0.114564691 -0.158584959 1 ACH H2 265 -0.067271815 -1.762040351 -0.203918698 1 ACH C1 266 -0.211209099 -0.068608977 -0.492871072 1 ACH C2 267 0.366227631 0.036301872 0.185397756 1 ACH O1 268 -0.452436771 0.700641471 0.178901375 1 ACH O2 269 0.180067084 0.019851834 -0.163623640 1 ACH H2 270 0.064010486 0.012375177 -0.279326037 1 ACH C1 271 0.414735690 0.029128670 0.436192867 1 ACH C2 272 0.037919099 -0.057276227 -0.429140856 1 ACH O1 273 -0.294416461 -0.185141173 0.349608548 1 ACH O2 274 -0.326441258 -0.040035676 -0.264145342 1 ACH H2 275 0.043547287 -0.679332687 -0.797734662 1 ACH C1 276 0.543287861 0.222210816 -0.240465373 1 ACH C2 277 -0.191303020 -0.175374199 0.157523814 1 ACH O1 278 -0.291471024 0.007465764 0.095703412 1 ACH O2 279 -0.231129103 0.021691059 -0.273808020 1 ACH H2 280 -0.689544308 0.889587266 0.339721260 1 ACH C1 281 0.243363315 0.251585080 0.307415936 1 ACH C2 282 -0.177772626 -0.029020761 -0.118648007 1 ACH O1 283 -0.594535481 0.499764135 0.634535619 1 ACH O2 284 -0.025774656 -0.152574845 -0.076932521 1 ACH H2 285 0.519262680 0.281683184 0.405383220 1 ACH C1 286 0.157157257 0.073299477 0.636856290 1 ACH C2 287 -0.219784684 0.103206862 0.322055186 1 ACH O1 288 -0.208896490 -0.027095524 0.348434677 1 ACH O2 289 -0.346395717 -0.423813785 0.446379664 1 ACH H2 290 -0.138382253 -0.444436689 0.769689431 1 ACH C1 291 0.282641851 0.025929297 -0.471221450 1 ACH C2 292 -0.454777397 -0.729633146 -0.099381334 1 ACH O1 293 -0.302680052 -0.058168476 -0.259700691 1 ACH O2 294 0.323408932 0.337207823 0.569307882 1 ACH H2 295 -0.119820639 -0.247594021 -1.341837419 1 ACH C1 296 -0.225175717 -0.581842903 0.625763498 1 ACH C2 297 -0.029000685 -0.243582193 0.032779256 1 ACH O1 298 0.275002588 -0.059649301 -1.273589411 1 ACH O2 299 0.014624545 -0.192484705 0.065535486 1 ACH H2 300 1.863138322 -1.381966656 2.153129571 1 ACH C1 301 0.048245258 0.207946937 0.386127927 1 ACH C2 302 -0.082462848 0.444571806 -0.025122985 1 ACH O1 303 -0.107155583 0.398768454 0.067660728 1 ACH O2 304 -0.132690368 -0.194403416 0.316222169 1 ACH H2 305 0.666718253 2.835196198 0.634973402 1 ACH C1 306 -0.242722027 0.550996958 -0.194636247 1 ACH C2 307 0.005515010 0.101945071 0.128392487 1 ACH O1 308 -0.344355125 0.554031453 0.616649261 1 ACH O2 309 0.173418815 0.258171841 -0.251737270 1 ACH H2 310 -0.883820348 0.733816952 -0.143487645 1 ACH C1 311 -0.420098754 -0.425046866 -0.005478736 1 ACH C2 312 0.109094259 -0.279568054 -0.312796963 1 ACH O1 313 0.027276191 0.336407768 -0.443555825 1 ACH O2 314 0.016941151 -0.137592737 0.224974972 1 ACH H2 315 -2.085765961 2.546942042 -2.384737142 1 ACH C1 316 -0.423808223 0.334153183 0.388913218 1 ACH C2 317 -0.059321215 -0.478478304 -0.656770001 1 ACH O1 318 -0.401362282 0.034394705 0.648199825 1 ACH O2 319 0.039915591 -0.223855052 -0.528820835 1 ACH H2 320 -0.808920744 0.729773721 -0.321415879 1 ACH C1 321 -0.121968811 0.010879666 -0.378570772 1 ACH C2 322 -0.548977566 -0.034021631 0.089312207 1 ACH O1 323 -0.157288968 0.052450122 -0.255435835 1 ACH O2 324 0.037924826 0.109866103 0.345581615 1 ACH H2 325 1.119626745 0.432256806 -2.134941767 1 ACH C1 326 0.446391184 -0.147509391 -0.723889629 1 ACH C2 327 -0.218373460 0.437575187 0.037941755 1 ACH O1 328 0.580331649 -0.085858219 0.177237631 1 ACH O2 329 -0.413179871 -0.201311585 -0.329176252 1 ACH H2 330 -1.835978905 1.614585888 0.766391524 1 ACH C1 331 0.347617841 -0.255547649 0.278803834 1 ACH C2 332 -0.087033301 -0.486303665 1.060662212 1 ACH O1 333 -0.842190427 -0.181860504 0.261462990 1 ACH O2 334 -0.171775722 -0.064305983 0.861162224 1 ACH H2 335 -0.591970678 -0.508588079 -2.882414598 1 ACH C1 336 0.066320848 -0.551900576 -0.010834019 1 ACH C2 337 0.065660941 -0.620861593 -0.164532155 1 ACH O1 338 -0.552625792 -0.588160349 -0.164977807 1 ACH O2 339 0.155362260 0.182863421 -0.218677005 1 ACH H2 340 -2.020795376 -0.922183518 0.663303314 1 ACH C1 341 -0.328234741 -0.309786874 0.086488919 1 ACH C2 342 0.003398417 -0.314237147 -0.066479135 1 ACH O1 343 0.501695949 0.229066710 0.131702074 1 ACH O2 344 -0.302281283 -0.167728175 -0.322545605 1 ACH H2 345 2.487640634 0.555704597 -1.185929839 1 ACH C1 346 0.482355306 -0.399530014 -0.638140783 1 ACH C2 347 0.373206780 -0.079319188 0.400475853 1 ACH O1 348 -0.099776120 -0.076068029 -0.144095244 1 ACH O2 349 0.303020074 0.135730502 0.008665713 1 ACH H2 350 -0.344852726 0.146251507 -1.189238330 1 ACH C1 351 0.269624485 -0.318229471 0.108138261 1 ACH C2 352 -0.180127293 -0.048072118 0.273656308 1 ACH O1 353 0.136877527 0.056598349 -0.373218553 1 ACH O2 354 -0.111139494 0.301928474 -0.140374253 1 ACH H2 355 -2.174531661 0.117684144 1.210046700 1 ACH C1 356 -0.109485829 -0.596462272 -0.049392249 1 ACH C2 357 -0.263332869 -0.270530915 0.025723905 1 ACH O1 358 -0.705692394 0.141442960 0.037758391 1 ACH O2 359 0.140112565 -0.424891058 0.446396045 1 ACH H2 360 0.619509809 1.668730789 -1.439143304 1 ACH C1 361 0.489089344 -0.115290633 -0.203581209 1 ACH C2 362 0.078551855 0.445008423 -0.297452064 1 ACH O1 363 0.144032480 -0.529348348 0.156151637 1 ACH O2 364 -0.272273525 0.273735552 0.016000770 1 ACH H2 365 -3.888475597 -1.020746023 -2.154703884 1 ACH C1 366 -0.029016194 0.140908820 -0.252739437 1 ACH C2 367 -0.441116856 -0.074424826 -0.383280487 1 ACH O1 368 -0.611379732 0.090271279 -0.529807024 1 ACH O2 369 0.013932113 -0.022450549 -0.139750588 1 ACH H2 370 -1.075633680 -1.915599845 0.138542894 1 ACH C1 371 0.337898465 -0.121939725 0.115922087 1 ACH C2 372 -0.105291380 0.079488199 0.088204102 1 ACH O1 373 -0.107911564 -0.101513160 -0.473147303 1 ACH O2 374 -0.019573831 -0.029586143 0.553008664 1 ACH H2 375 -1.367644847 1.597224655 1.620910794 1 ACH C1 376 0.171205666 0.229020010 -0.455306002 1 ACH C2 377 0.088742132 -0.044083125 -0.406312240 1 ACH O1 378 -0.347735870 0.577581944 -1.174518884 1 ACH O2 379 0.508823849 -0.208244174 0.118533689 1 ACH H2 380 0.498690377 -0.070169931 0.112304758 1 ACH C1 381 -0.228704749 0.244821643 0.479954483 1 ACH C2 382 0.117009477 -0.131006664 -0.006845480 1 ACH O1 383 -0.179441969 0.188539232 -0.209501139 1 ACH O2 384 -0.063453154 -0.111503012 0.007147307 1 ACH H2 385 -0.365788970 0.187881175 0.596752203 1 ACH C1 386 -0.473168978 0.458779251 0.043651082 1 ACH C2 387 0.127176347 0.164964359 -0.175053408 1 ACH O1 388 0.193006320 -0.037134778 -0.214674124 1 ACH O2 389 0.701579601 -0.012126063 0.237112615 1 ACH H2 390 3.042060933 -1.296594831 -1.472082268 1 ACH C1 391 -0.412724695 -0.097686905 0.720294946 1 ACH C2 392 -0.196812805 0.538050421 0.681220338 1 ACH O1 393 0.434381949 0.236235960 0.422658385 1 ACH O2 394 0.567720312 -0.046193029 -0.070216787 1 ACH H2 395 0.795745471 2.523434639 1.051216013 1 ACH C1 396 0.253198702 -0.097682922 0.316879890 1 ACH C2 397 -0.480260088 0.131831208 0.392953892 1 ACH O1 398 -0.321921472 -0.197142463 0.440010165 1 ACH O2 399 -0.229472589 0.189299476 0.819021881 1 ACH H2 400 -0.616972361 0.949360621 0.839330596 1 ACH C1 401 0.645588714 0.148170175 -0.436301258 1 ACH C2 402 0.064966193 0.049876500 0.151443603 1 ACH O1 403 0.227561676 -0.318608750 -0.196837937 1 ACH O2 404 -0.045747505 0.063809211 -0.447938929 1 ACH H2 405 0.948340135 1.140902397 -3.739637334 1 ACH C1 406 0.502341047 0.157621990 0.369926131 1 ACH C2 407 0.417971072 0.006118623 0.498946629 1 ACH O1 408 0.383028047 -0.470734324 0.417105096 1 ACH O2 409 -0.215993351 -0.153359560 0.492030039 1 ACH H2 410 0.303878563 -1.025664154 -2.173305702 1 ACH C1 411 0.234737728 -0.306474818 -0.275295014 1 ACH C2 412 0.346365469 0.003183584 -0.088625832 1 ACH O1 413 -0.176264137 -0.004450971 -0.131230067 1 ACH O2 414 0.718009234 -0.056824740 0.316962196 1 ACH H2 415 -1.042464927 1.808859040 1.062353794 1 ACH C1 416 -0.005428797 -0.022613710 0.226799035 1 ACH C2 417 -0.169698541 -0.185413323 -0.042581605 1 ACH O1 418 -0.020348345 -0.469971134 -0.171441535 1 ACH O2 419 -0.118259474 0.166955484 0.505806254 1 ACH H2 420 -0.560814303 -0.419446610 -0.218093825 1 ACH C1 421 -0.343957280 -0.132664915 0.481254968 1 ACH C2 422 -0.224768401 -0.169133794 0.086783683 1 ACH O1 423 -0.449274212 -0.198887127 0.181217385 1 ACH O2 424 -0.715326045 0.225704133 0.362569066 1 ACH H2 425 2.233484641 2.323802536 1.594955911 1 ACH C1 426 -0.090209753 0.473320648 -0.401815459 1 ACH C2 427 0.276854624 -0.065425173 -0.320436425 1 ACH O1 428 0.037265793 0.022206003 -0.119462946 1 ACH O2 429 -0.230955957 -0.871511151 -0.183686818 1 ACH H2 430 1.158844035 -0.161893969 0.750618938 1 ACH C1 431 -0.208068945 -0.197762762 0.423639424 1 ACH C2 432 -0.372695391 -0.446325658 -0.274634759 1 ACH O1 433 -0.066183531 -0.351728029 -0.280675013 1 ACH O2 434 0.317279399 -0.033865027 -0.219457474 1 ACH H2 435 1.248692959 1.676595874 1.777016310 1 ACH C1 436 0.206841609 0.988847454 0.271515597 1 ACH C2 437 -0.164743510 -0.098567415 -0.589080640 1 ACH O1 438 0.152753837 -0.134218370 -0.537269344 1 ACH O2 439 -0.738764371 0.073290217 0.096576179 1 ACH H2 440 -1.106439880 -0.100579794 0.347683270 1 ACH C1 441 -0.234733013 0.210297090 0.399238003 1 ACH C2 442 0.166724649 0.239015471 -0.340023935 1 ACH O1 443 -0.475135640 -0.185985685 0.102158132 1 ACH O2 444 -0.219972278 -0.147943925 0.096329243 1 ACH H2 445 3.976352651 1.823321895 -0.937388493 1 ACH C1 446 0.096076615 -0.151118359 0.122002499 1 ACH C2 447 -0.056597180 -0.055856522 0.305737142 1 ACH O1 448 0.082330280 -0.135211259 -0.306758930 1 ACH O2 449 0.105959166 -0.016232902 -0.083374845 1 ACH H2 450 -0.402533606 0.626052067 1.213279329 1 ACH C1 451 0.257074757 0.433656913 0.163039581 1 ACH C2 452 -0.672500500 0.320778945 0.202307424 1 ACH O1 453 -0.020150038 -0.255197985 0.013525920 1 ACH O2 454 -0.125915008 -0.155935023 0.582742438 1 ACH H2 455 1.706860227 0.949661341 -0.338883944 1 ACH C1 456 0.455742824 0.412726106 0.399446443 1 ACH C2 457 -0.113600602 -0.095291023 -0.064638924 1 ACH O1 458 -0.182829153 0.093589516 0.408506227 1 ACH O2 459 -0.044402824 0.057598014 -0.266460344 1 ACH H2 460 2.122909380 -2.854393353 1.735801966 1 ACH C1 461 -0.143616091 -0.069966859 0.168846545 1 ACH C2 462 0.108039417 0.589234906 0.155357695 1 ACH O1 463 -0.028886884 0.510496978 0.325814271 1 ACH O2 464 0.185036958 0.253646144 -0.202268842 1 ACH H2 465 0.270884908 1.791733847 -1.046795920 1 ACH C1 466 0.656241688 -0.366716062 0.367766664 1 ACH C2 467 -0.631241691 0.042171708 -0.270046015 1 ACH O1 468 -0.216842080 -0.384254218 -0.486744040 1 ACH O2 469 -0.352226148 0.224708547 -0.326330249 1 ACH H2 470 -1.129192252 0.717140091 0.764110008 1 ACH C1 471 0.041057467 -0.042434267 0.098895866 1 ACH C2 472 0.187240176 -0.112292568 -0.102699943 1 ACH O1 473 -0.479052204 0.093931238 -0.158306867 1 ACH O2 474 0.100941461 -0.368471045 -0.807908923 1 ACH H2 475 0.831667474 -0.535163792 -1.138637772 1 ACH C1 476 0.552318298 -0.058942787 0.047340091 1 ACH C2 477 0.475367058 -0.230944300 -0.033494885 1 ACH O1 478 0.912059098 -0.194113987 0.159490628 1 ACH O2 479 0.302839514 0.224240160 -0.500035092 1 ACH H2 480 -0.096404374 1.613904561 3.898479902 1 ACH C1 481 -0.179859280 0.116693004 -0.084781330 1 ACH C2 482 -0.238376895 0.123025134 0.409085357 1 ACH O1 483 -0.253244238 0.006741685 1.049986470 1 ACH O2 484 0.345597451 -0.122324983 0.129002648 1 ACH H2 485 0.560497897 0.162889892 0.689857675 1 ACH C1 486 0.698252472 -0.214468609 -0.136438760 1 ACH C2 487 -0.030226640 0.229252881 0.019911152 1 ACH O1 488 0.056828634 0.468163037 -0.474484916 1 ACH O2 489 0.003879738 0.355831623 0.359270720 1 ACH H2 490 1.322277814 -0.970909632 2.335764504 1 ACH C1 491 0.011194163 0.021285530 0.483748282 1 ACH C2 492 0.250725330 -0.013429076 0.240256898 1 ACH O1 493 0.396556595 -0.282024883 -0.058344718 1 ACH O2 494 -0.141765557 0.468169223 0.683719534 1 ACH H2 495 0.897669227 -0.145753696 -0.809634374 1 ACH C1 496 -0.834630323 0.358393111 0.137207074 1 ACH C2 497 0.495682092 0.462194527 0.710559674 1 ACH O1 498 -0.168766554 -0.184252573 1.084513884 1 ACH O2 499 0.430280304 -0.120682445 0.221986309 1 ACH H2 500 -0.364879545 1.718113624 -1.666805763 1 ACH C1 501 -0.478230951 -0.043763335 0.013310742 1 ACH C2 502 -0.045496064 -0.268381449 0.053527024 1 ACH O1 503 -0.402234456 0.115415681 0.092375944 1 ACH O2 504 0.572418904 -0.124347805 0.362067827 1 ACH H2 505 -2.497245180 0.838628109 2.840125853 1 ACH C1 506 0.128196891 0.437371861 -0.172359864 1 ACH C2 507 0.281137409 0.018533629 0.568575482 1 ACH O1 508 -0.592259783 0.748029408 0.376574571 1 ACH O2 509 -0.039663694 0.271667549 -0.186898025 1 ACH H2 510 -0.152022548 -2.400697656 -0.793972972 1 ACH C1 511 -0.444333638 0.081038477 0.224893590 1 ACH C2 512 0.627576608 -0.483794752 0.165027325 1 ACH O1 513 -0.195663740 -0.110053918 0.120983961 1 ACH O2 514 0.065563632 -0.076337983 0.202989699 1 ACH H2 515 0.349162813 -0.957679223 1.450401941 1 ACH C1 516 -0.015376981 -0.050479642 -0.565042030 1 ACH C2 517 -0.565986171 -0.839620674 0.142312135 1 ACH O1 518 -0.550688631 -0.111084986 0.626350173 1 ACH O2 519 -0.173991128 0.203215519 0.666858518 1 ACH H2 520 0.359008080 -2.185258344 -1.079939898 1 ACH C1 521 0.303516984 0.149731750 0.017365458 1 ACH C2 522 0.023554885 0.000058021 0.328710842 1 ACH O1 523 -0.307552424 0.545764404 -0.213273118 1 ACH O2 524 -0.019261043 0.166235421 0.490977643 1 ACH H2 525 -0.143092694 0.643994747 -1.206776187 1 ACH C1 526 0.013423523 0.011602829 0.271096202 1 ACH C2 527 -0.040450586 0.346978073 -0.403117682 1 ACH O1 528 -0.413457421 1.255869835 0.240077680 1 ACH O2 529 0.144024131 0.388002985 -0.386312820 1 ACH H2 530 -1.388388785 0.200871505 1.276184357 1 ACH C1 531 0.076344305 -0.394761616 0.101555504 1 ACH C2 532 -0.359152954 -0.405645422 0.242582550 1 ACH O1 533 0.107149359 -0.032604729 -0.518692225 1 ACH O2 534 -0.651948636 -0.152153469 -0.098846031 1 ACH H2 535 -0.498086938 1.371835235 0.467524898 1 ACH C1 536 0.758812542 -0.478295522 -0.158719892 1 ACH C2 537 1.169467889 0.316428695 0.164146009 1 ACH O1 538 -0.076912350 0.389898389 -0.382114367 1 ACH O2 539 -0.194448780 0.282601399 -0.092574710 1 ACH H2 540 0.002285535 0.786461940 0.093155579 1 ACH C1 541 0.139202008 -0.047373070 -0.098118615 1 ACH C2 542 -0.156263196 0.004698222 0.131188668 1 ACH O1 543 -0.116292017 0.322291155 -0.381284230 1 ACH O2 544 0.755103120 -0.386590185 0.290062144 1 ACH H2 545 1.328318714 -0.111986305 -0.193699982 1 ACH C1 546 0.191328511 0.688832038 -0.122401029 1 ACH C2 547 -0.512968994 -0.192956764 -0.066729304 1 ACH O1 548 -0.083320091 0.008220069 0.229989361 1 ACH O2 549 -0.077708665 -1.088065376 0.449454422 1 ACH H2 550 -0.206326078 -0.281385091 1.709147220 1 ACH C1 551 -0.138091451 -0.816038740 0.115310865 1 ACH C2 552 -0.653248185 0.049913684 -0.706508188 1 ACH O1 553 -0.037042076 -0.192746333 -0.402727592 1 ACH O2 554 -0.104201185 0.547262875 -0.002159021 1 ACH H2 555 -0.263064081 0.704298004 0.045984048 1 ACH C1 556 0.270354449 -0.251552438 -0.414515465 1 ACH C2 557 0.258974359 -0.185122091 -0.212714949 1 ACH O1 558 -0.192179894 -0.334039209 0.316876582 1 ACH O2 559 0.268899709 -0.176096248 -0.186779817 1 ACH H2 560 0.076829477 -0.896715220 1.229626333 1 ACH C1 561 0.389123989 0.140911512 -0.132752507 1 ACH C2 562 -0.226961489 -0.098996209 -0.288321271 1 ACH O1 563 -0.103481416 -0.141900466 -0.252530338 1 ACH O2 564 0.155859276 0.377551485 0.042054484 1 ACH H2 565 -3.596591437 0.085026308 -0.093709449 1 ACH C1 566 0.304065472 -0.335306016 -0.629344850 1 ACH C2 567 -0.443193369 0.629934788 -0.131220037 1 ACH O1 568 0.231208664 -0.313928607 -0.355322118 1 ACH O2 569 0.115376058 0.272672047 0.062018480 1 ACH H2 570 0.007226646 1.792161441 0.497812626 1 ACH C1 571 -0.051703710 -0.525361379 0.062579606 1 ACH C2 572 -0.266296303 0.454683778 -0.097083186 1 ACH O1 573 -0.232499759 0.438364695 -0.091944204 1 ACH O2 574 -0.526639194 -0.315090923 0.052114248 1 ACH H2 575 -0.908004693 -3.259035444 2.884243037 1 ACH C1 576 0.300370317 -0.343089673 0.106232957 1 ACH C2 577 -0.442083485 0.007908348 -0.141357434 1 ACH O1 578 -0.402404380 -0.038995360 0.006607055 1 ACH O2 579 -0.338986712 0.023961816 0.121875170 1 ACH H2 580 -0.489284406 -0.431353518 1.857845418 1 ACH C1 581 0.059823901 0.278304219 0.428168239 1 ACH C2 582 -0.098962718 0.096847434 -0.056512709 1 ACH O1 583 -0.485793816 -0.391109365 0.180506728 1 ACH O2 584 -0.126518630 -0.234215575 -0.158434406 1 ACH H2 585 0.777049985 1.341963136 -6.633389455 1 ACH C1 586 -0.189715007 -0.011426349 0.215504793 1 ACH C2 587 0.351623127 -0.609880811 0.423900551 1 ACH O1 588 0.097973048 0.547602960 -0.241816462 1 ACH O2 589 0.344385735 0.175780582 0.470339060 1 ACH H2 590 1.762191939 0.771618135 1.241763229 1 ACH C1 591 -0.782833046 0.453382387 -0.039645204 1 ACH C2 592 0.116121274 0.666131159 -0.703877781 1 ACH O1 593 0.108410700 -0.348142449 0.211794054 1 ACH O2 594 -0.245987364 0.106092184 -0.859677235 1 ACH H2 595 0.529655051 1.858829641 -2.220641676 1 ACH C1 596 0.441103888 -0.123005306 0.157342149 1 ACH C2 597 0.288397617 -0.693655307 0.197229618 1 ACH O1 598 -0.121365293 0.144828559 -0.332939107 1 ACH O2 599 0.654870559 0.375967312 0.292282421 1 ACH H2 600 -1.230482057 0.182181333 1.344135560 1 ACH C1 601 -0.297369029 0.245582397 -0.539200842 1 ACH C2 602 -0.123598975 -0.218100440 -0.414097727 1 ACH O1 603 0.284017923 -0.636632186 -0.161883762 1 ACH O2 604 -0.209794378 0.812000974 -0.415024640 1 ACH H2 605 0.161527186 -2.949113951 3.015266635 1 ACH C1 606 0.309995265 0.049380960 0.006007320 1 ACH C2 607 0.284282711 0.091081464 -0.071677728 1 ACH O1 608 -0.030977552 -0.061315785 -0.349763564 1 ACH O2 609 0.876042038 -0.142692308 -0.248296328 1 ACH H2 610 -1.880098372 2.252228965 2.484412536 1 ACH C1 611 -0.467018941 0.455445865 0.161916972 1 ACH C2 612 -0.151832164 0.673695902 -0.021839293 1 ACH O1 613 -0.742627515 0.227318723 -0.460260982 1 ACH O2 614 0.136499292 0.250673569 -0.107823081 1 ACH H2 615 -2.254415870 -1.759158695 0.778434484 1 ACH C1 616 -0.339555164 -0.115151008 -0.362374006 1 ACH C2 617 0.802981340 -0.023733460 0.444674249 1 ACH O1 618 -0.597807485 0.566206569 0.604881507 1 ACH O2 619 0.363610307 0.164356598 0.208989512 1 ACH H2 620 1.983109060 -0.489231889 -2.876647369 1 ACH C1 621 -0.036865078 0.285885668 0.237307369 1 ACH C2 622 0.018266494 0.189290272 -0.580379154 1 ACH O1 623 0.151563207 0.145416486 -0.199008064 1 ACH O2 624 0.236211570 -0.211594964 0.352685820 1 ACH H2 625 -0.381742742 -2.407037560 0.110658037 1 ACH C1 626 0.013972920 -0.308266965 -0.051095863 1 ACH C2 627 -0.539463969 -0.153021945 0.015224333 1 ACH O1 628 -0.103560402 0.035072278 -0.184017146 1 ACH O2 629 -0.083621890 0.504958708 0.219241823 1 ACH H2 630 2.452382250 0.177588566 1.642794272 1 ACH C1 631 0.305612413 -0.255719904 0.142943267 1 ACH C2 632 0.154144418 -0.224260063 0.274382640 1 ACH O1 633 -0.461362025 -0.310758808 -0.058390845 1 ACH O2 634 0.156145070 -0.447572626 0.316501700 1 ACH H2 635 1.425465180 -1.166536100 -0.427051098 1 ACH C1 636 -0.141463175 0.027866078 0.234205044 1 ACH C2 637 -0.328666887 0.076246192 -0.032502491 1 ACH O1 638 -0.313235671 0.319933096 -0.575415526 1 ACH O2 639 -0.163502945 -0.916814111 0.770907427 1 ACH H2 640 -0.390307784 -0.879412830 -0.087013424 1 ACH C1 641 -0.171168301 0.245204228 -0.367587389 1 ACH C2 642 0.277038530 -0.252633591 0.577585068 1 ACH O1 643 -0.053009556 -0.170091692 -0.133353265 1 ACH O2 644 -0.479352252 0.284632367 0.633284658 1 ACH H2 645 -2.097032054 -0.787813825 -1.146487587 1 ACH C1 646 -0.142662305 0.799660061 -0.161391035 1 ACH C2 647 0.153230168 0.312027593 -0.550045492 1 ACH O1 648 -0.285555863 0.155504722 0.529711426 1 ACH O2 649 -0.411530132 0.145774357 -0.941387357 1 ACH H2 650 -1.072725295 -0.562400150 -1.794430219 1 ACH C1 651 -0.518274814 0.057806407 0.354258945 1 ACH C2 652 -0.414613592 -0.138322086 0.413414090 1 ACH O1 653 0.748307853 -0.557997090 -0.300753015 1 ACH O2 654 0.305401196 0.363068191 -0.003011008 1 ACH H2 655 0.305847197 1.704287710 0.159410681 1 ACH C1 656 0.066626001 0.341218161 1.043633130 1 ACH C2 657 -0.688946340 -0.083940109 -0.015144146 1 ACH O1 658 -0.229562474 0.210037524 -0.040278999 1 ACH O2 659 -0.324149861 0.446947798 0.120461552 1 ACH H2 660 -1.617417934 -1.347091489 5.800632544 1 ACH C1 661 0.330115416 -0.200466944 -0.145489407 1 ACH C2 662 0.150574915 -0.112969818 0.506414405 1 ACH O1 663 0.069566852 -0.370979299 0.380239957 1 ACH O2 664 0.126098953 -0.031142971 0.540719829 1 ACH H2 665 0.963495580 2.298273506 2.406461700 1 ACH C1 666 -0.305838213 -0.341180608 -0.176778778 1 ACH C2 667 -0.366129874 -0.227945068 -0.218355216 1 ACH O1 668 -0.320211240 -0.247065240 -0.078024856 1 ACH O2 669 0.647138562 0.498636062 -0.603002012 1 ACH H2 670 -0.581994420 -0.904347727 -0.389033347 1 ACH C1 671 0.241588882 0.033127615 0.499857007 1 ACH C2 672 -0.493649967 -0.255169103 -0.136996444 1 ACH O1 673 -0.217701378 -0.057018643 0.050828140 1 ACH O2 674 -0.383374004 -0.215283413 0.283562115 1 ACH H2 675 3.999630976 -0.953176838 0.599593286 1 ACH C1 676 -0.133845041 0.198553316 -0.530650386 1 ACH C2 677 -0.321800834 0.256288384 -0.347967510 1 ACH O1 678 0.042821311 -0.268797357 0.280947970 1 ACH O2 679 -0.425427670 0.069659929 -0.057845023 1 ACH H2 680 1.484952207 -0.903452896 -1.085814428 1 ACH C1 681 -0.077215094 0.049415546 -0.316470341 1 ACH C2 682 -0.105355424 -0.065194629 -0.151044408 1 ACH O1 683 0.375121445 0.481842779 0.292877919 1 ACH O2 684 -0.559028732 -0.011599514 -0.030778935 1 ACH H2 685 -0.654388697 -1.804256005 -1.045179609 1 ACH C1 686 -0.094058304 0.274679303 0.020229455 1 ACH C2 687 -0.178624381 0.313659654 0.359975310 1 ACH O1 688 -0.548995289 0.445831763 0.196895647 1 ACH O2 689 0.735281424 -0.338666664 -0.124639879 1 ACH H2 690 -0.167106566 -1.040086834 -0.828812271 1 ACH C1 691 -0.553805388 0.098125081 -0.009635342 1 ACH C2 692 0.210456212 -0.039049582 -0.547256765 1 ACH O1 693 0.308218764 -0.486261131 0.902866719 1 ACH O2 694 0.153004124 -0.082998871 -0.446579756 1 ACH H2 695 -1.053403896 0.845795426 -1.385020135 1 ACH C1 696 -0.013228907 0.092353691 -0.093510430 1 ACH C2 697 -0.301933200 0.010792451 -0.103476519 1 ACH O1 698 -0.339626962 0.092331247 -0.134546168 1 ACH O2 699 -0.169777383 0.377291877 0.019969592 1 ACH H2 700 -1.939023062 2.761436285 -2.007705337 1 ACH C1 701 0.718175793 0.104817386 0.021723827 1 ACH C2 702 0.558299505 -0.234929503 0.108097319 1 ACH O1 703 0.644102255 -0.317418430 -0.283991951 1 ACH O2 704 0.517839806 -0.047793200 0.241166634 1 ACH H2 705 0.258364109 -0.866424536 3.489597119 1 ACH C1 706 0.009548699 0.502927810 -0.130457676 1 ACH C2 707 -0.047596672 -0.867257430 -0.009363716 1 ACH O1 708 -0.446087821 -0.199179025 0.392974991 1 ACH O2 709 0.261375746 -0.337996313 0.470427028 1 ACH H2 710 0.290831781 -0.299934061 -1.920768925 1 ACH C1 711 0.050664947 -0.252485852 -0.483083624 1 ACH C2 712 0.205708228 0.103077923 -0.212392755 1 ACH O1 713 -0.834631672 -0.436101717 -0.298506081 1 ACH O2 714 0.545476156 -0.085408396 0.109264424 1 ACH H2 715 0.139949827 -0.741454057 -0.377431096 1 ACH C1 716 -0.652006556 -0.099369397 -0.498555305 1 ACH C2 717 -0.185687552 -0.040577677 0.283638002 1 ACH O1 718 -0.251105678 -0.373942464 0.325757531 1 ACH O2 719 0.371139389 -0.101870033 -0.449709182 1 ACH H2 720 1.112658260 1.619421137 -0.001782856 1 ACH C1 721 0.233110085 0.088745670 0.103567710 1 ACH C2 722 -0.286937631 0.253448140 -0.275166745 1 ACH O1 723 -0.315662903 -0.094566804 0.228588538 1 ACH O2 724 -0.126723919 -0.482990720 -0.356706652 1 ACH H2 725 -0.237580126 -0.439033882 -0.485616475 1 ACH C1 726 -0.628762315 0.200208541 -0.680865663 1 ACH C2 727 0.232746774 0.012297276 0.272408878 1 ACH O1 728 0.339820123 -0.018914588 0.464960299 1 ACH O2 729 0.138760768 -0.103834202 0.247626929 1 ACH H2 730 2.230374865 -1.019243698 -1.029965090 1 ACH C1 731 -0.272955469 0.254762545 0.700915189 1 ACH C2 732 0.222052748 -0.148705644 0.458195386 1 ACH O1 733 0.167875370 -0.025694519 0.386242879 1 ACH O2 734 -0.159279571 0.361051112 0.080438203 1 ACH H2 735 -2.287064980 2.043817598 1.183759361 1 ACH C1 736 -0.187482733 0.881926138 0.411740494 1 ACH C2 737 0.156648365 0.101418511 0.612616427 1 ACH O1 738 0.169786611 -0.527258592 -0.550651513 1 ACH O2 739 0.470392778 -0.141554737 -0.129036067 1 ACH H2 740 0.661797259 -1.583270702 2.722387332 1 ACH C1 741 0.023134604 -0.262881265 0.114349657 1 ACH C2 742 0.036835126 0.442762052 0.387160578 1 ACH O1 743 0.309271702 0.828993072 0.152717743 1 ACH O2 744 0.566304003 0.203846128 -0.492587446 1 ACH H2 745 -0.366527846 0.586967267 -0.521716215 1 ACH C1 746 0.007852495 0.323206845 -0.344761728 1 ACH C2 747 0.185750531 -0.047706898 0.259732577 1 ACH O1 748 0.126757182 -0.080686863 -0.144105453 1 ACH O2 749 -0.359132552 0.113012862 -0.141412325 1 ACH H2 750 -0.247293187 1.392827354 0.194374498 1 ACH C1 751 0.242252842 0.073934433 0.114700104 1 ACH C2 752 0.307900002 -0.300355446 -0.488604883 1 ACH O1 753 0.465226574 0.341518739 0.796307606 1 ACH O2 754 0.126001716 -0.141431756 -0.014382451 1 ACH H2 755 1.115587325 -1.543303823 -0.921742271 1 ACH C1 756 -0.206122184 -0.032929159 -0.106004615 1 ACH C2 757 -0.040372218 0.136577360 0.320306165 1 ACH O1 758 0.125570948 -0.055218820 -0.407157910 1 ACH O2 759 -0.197055909 0.321251327 0.237898668 1 ACH H2 760 -2.873202961 0.828361500 2.382874539 1 ACH C1 761 0.390193680 0.065174600 0.583086881 1 ACH C2 762 0.240924838 0.163813871 0.009826579 1 ACH O1 763 -0.291427156 -0.380413742 0.675095892 1 ACH O2 764 0.613990394 -0.220494812 -0.073335948 1 ACH H2 765 0.695253299 0.146796580 0.610416069 1 ACH C1 766 1.151132384 0.415504495 -0.774493743 1 ACH C2 767 0.579675632 -0.473229546 -0.027548448 1 ACH O1 768 0.315826819 -0.003789440 0.024906748 1 ACH O2 769 0.184331348 0.117787442 -0.164787654 1 ACH H2 770 1.015281718 -0.513497155 -0.656259685 1 ACH C1 771 0.051819180 0.065913127 -0.210470763 1 ACH C2 772 0.056542000 -0.672575496 0.032267307 1 ACH O1 773 0.501446254 0.951372653 0.112096291 1 ACH O2 774 0.178539584 -0.071995606 -0.351275094 1 ACH H2 775 0.447254529 -1.944877353 0.257835259 1 ACH C1 776 -0.126515016 0.257683242 0.034770666 1 ACH C2 777 -0.480355435 -0.703617428 0.591362289 1 ACH O1 778 0.227007136 -0.221594498 0.163811469 1 ACH O2 779 -0.282956391 -0.520305783 0.069348311 1 ACH H2 780 0.201457154 -0.665184963 1.390530906 1 ACH C1 781 -0.474984060 0.209850192 -0.230893018 1 ACH C2 782 0.192981509 0.401470105 -0.258094787 1 ACH O1 783 -0.028523362 -0.089898179 -0.030551418 1 ACH O2 784 -0.498165714 0.068562244 0.452773125 1 ACH H2 785 2.152400684 0.909496525 0.439343841 1 ACH C1 786 -0.042061523 0.158833154 0.303183740 1 ACH C2 787 0.241748195 0.280323848 0.373990219 1 ACH O1 788 -0.306370781 -0.042562582 0.631558893 1 ACH O2 789 0.108851391 0.643504115 0.301938367 1 ACH H2 790 -0.159493863 0.286322445 -0.497058763 1 ACH C1 791 -0.530489927 -0.387950855 -0.138203723 1 ACH C2 792 0.233766824 -0.098126790 -0.066288825 1 ACH O1 793 -0.307721394 -0.758138817 -0.606484092 1 ACH O2 794 0.627752614 0.161436107 -0.622921263 1 ACH H2 795 -0.084644848 -0.977451398 -1.106727549 1 ACH C1 796 -0.242954905 0.106969140 0.270428005 1 ACH C2 797 -0.308892907 0.315401091 0.474452101 1 ACH O1 798 0.184580614 0.143920595 0.170538531 1 ACH O2 799 -0.463905473 -0.024834610 0.414818712 1 ACH H2 800 -1.347192858 1.844693363 -0.091200838 1 ACH C1 801 0.225676572 0.060115900 0.128573516 1 ACH C2 802 0.387694398 -0.354692843 -0.283092138 1 ACH O1 803 0.018276818 0.169737403 0.369674710 1 ACH O2 804 -0.419772694 -0.018217194 -0.100689195 1 ACH H2 805 -1.917816705 1.751436499 1.134375248 1 ACH C1 806 -0.511545907 0.581724867 -0.083683374 1 ACH C2 807 0.295853958 -0.052950557 -0.071411560 1 ACH O1 808 0.277890966 -0.597678817 -0.476683088 1 ACH O2 809 0.311852304 0.190195088 -0.139752221 1 ACH H2 810 1.501263676 1.135125436 0.147829268 1 ACH C1 811 0.573420934 -0.428991917 -0.410072209 1 ACH C2 812 -0.136430056 0.107036666 -0.008601085 1 ACH O1 813 -0.409760698 -0.038409490 0.188003801 1 ACH O2 814 0.222362975 0.388445065 0.193058188 1 ACH H2 815 1.374845934 -0.768951745 3.445076467 1 ACH C1 816 -0.557836752 -0.109638897 -0.054954415 1 ACH C2 817 0.323485669 -0.254891375 0.041315279 1 ACH O1 818 -0.367351407 -0.508374003 0.167062749 1 ACH O2 819 0.284345445 -0.255468222 0.165329690 1 ACH H2 820 -0.291910420 -1.618824705 -0.544231300 1 ACH C1 821 0.166917444 0.098191851 -0.191529767 1 ACH C2 822 0.129315455 0.020089979 0.073532231 1 ACH O1 823 0.453341259 0.878697822 -0.128867836 1 ACH O2 824 0.181000354 0.050714752 0.108971870 1 ACH H2 825 -0.362192228 0.779311588 -0.309025922 1 ACH C1 826 -0.074435112 0.051053316 -0.270644096 1 ACH C2 827 -0.054151774 -0.046873354 -0.633110549 1 ACH O1 828 0.109832472 -0.337176765 0.052383663 1 ACH O2 829 -0.312592182 -0.786082293 -0.229848027 1 ACH H2 830 0.384251795 -0.133004521 1.185405542 1 ACH C1 831 -0.265036824 -0.150606932 -0.245353223 1 ACH C2 832 0.040571409 0.135403980 0.045092864 1 ACH O1 833 0.236303852 0.161024906 0.098476042 1 ACH O2 834 0.230477464 0.445170506 0.115560428 1 ACH H2 835 1.178883766 0.221092487 -0.423071701 1 ACH C1 836 -0.132399807 -0.143274136 0.236860254 1 ACH C2 837 -0.136060621 0.169112659 0.185597692 1 ACH O1 838 -0.413182604 0.277070443 -0.368495386 1 ACH O2 839 0.279760811 0.658172913 -0.544021106 1 ACH H2 840 1.331491557 -0.157665075 -0.119179577 1 ACH C1 841 -0.233559184 0.143147878 0.026424082 1 ACH C2 842 -0.211379111 -0.345746800 -0.200111027 1 ACH O1 843 -0.036500213 0.066290769 0.165104885 1 ACH O2 844 0.198064404 -0.078184675 -0.142901211 1 ACH H2 845 0.348292355 1.414808920 -0.003584670 1 ACH C1 846 0.269926092 -0.426709263 0.008253196 1 ACH C2 847 0.320694551 -0.560139282 0.115254730 1 ACH O1 848 -0.350946134 -0.717063416 0.531730931 1 ACH O2 849 -0.191883885 -0.122557394 -0.292224334 1 ACH H2 850 -1.467470673 3.294411311 -1.977972199 1 ACH C1 851 0.256941973 0.247396973 0.547459574 1 ACH C2 852 -0.101061783 0.334575705 0.116056330 1 ACH O1 853 -0.595377526 0.390777940 -0.284885833 1 ACH O2 854 -0.111880436 -0.141476223 -0.065985228 1 ACH H2 855 2.035949074 -0.189422424 -0.894149935 1 ACH C1 856 -0.495577763 0.284029308 0.316426603 1 ACH C2 857 -0.568710840 -0.035936553 -0.174103070 1 ACH O1 858 0.110877398 0.152842736 0.170186877 1 ACH O2 859 -0.087092346 -0.530188186 -0.433171798 1 ACH H2 860 -0.270650654 -1.351227953 1.123514786 1 ACH C1 861 -0.085525741 0.319544209 0.343005085 1 ACH C2 862 -0.125297242 0.268539518 0.011282843 1 ACH O1 863 -0.228860491 -0.100580916 0.078938107 1 ACH O2 864 -0.281139029 -0.147788187 0.179444280 1 ACH H2 865 -0.386604535 -0.541607489 0.190946493 1 ACH C1 866 -0.032782598 0.390859206 0.429822632 1 ACH C2 867 -0.304061893 0.373576883 -0.167653753 1 ACH O1 868 -0.472498740 -0.113998732 -0.081251022 1 ACH O2 869 0.227419973 -0.695390875 0.391852420 1 ACH H2 870 -0.415328049 1.046324101 -0.614192669 1 ACH C1 871 0.015150627 -0.117402876 0.186689378 1 ACH C2 872 0.049692662 0.004412325 0.069360688 1 ACH O1 873 -0.074401664 0.533083510 0.355805261 1 ACH O2 874 -0.333454768 -0.624494898 0.017059451 1 ACH H2 875 -0.015599676 -1.143432387 -0.627025121 1 ACH C1 876 0.039249121 -0.337082718 -0.118263641 1 ACH C2 877 -0.137052947 0.551291442 0.076028981 1 ACH O1 878 -0.264560447 0.307878509 0.475387531 1 ACH O2 879 -0.114727166 -0.046663875 -0.443726975 1 ACH H2 880 -0.404280004 -0.141872772 -0.325347139 1 ACH C1 881 1.022351928 0.795694369 -0.825551161 1 ACH C2 882 0.056326152 -0.355441648 0.286447427 1 ACH O1 883 0.355641802 -0.564349495 0.123022178 1 ACH O2 884 0.093645070 -0.393588118 0.357217545 1 ACH H2 885 1.480642952 0.753158729 -0.793830281 1 ACH C1 886 0.261665876 -0.142196515 0.354999535 1 ACH C2 887 -0.118769227 0.265014795 -0.156070621 1 ACH O1 888 -0.079502317 0.092014455 -0.085814017 1 ACH O2 889 -0.099372202 0.427263880 -0.480134127 1 ACH H2 890 2.570402879 1.070428266 1.225983373 1 ACH C1 891 -0.113178900 -0.443915965 0.005465484 1 ACH C2 892 -0.006404795 -0.307954142 -0.028148993 1 ACH O1 893 0.101104795 0.327260230 -0.292049587 1 ACH O2 894 0.260071987 0.044710542 -0.064548512 1 ACH H2 895 0.158308781 -0.003658685 0.092865257 1 ACH C1 896 0.442324917 -0.548079053 -0.198350552 1 ACH C2 897 0.217404215 -0.012834341 0.370820191 1 ACH O1 898 0.160362081 -0.228945177 0.563667342 1 ACH O2 899 0.270865224 -0.158808316 0.754162670 1 ACH H2 900 0.460414077 -1.225053460 1.338499117 1 ACH C1 901 0.099666365 0.111750683 0.081879323 1 ACH C2 902 0.055284198 0.036108271 0.034973659 1 ACH O1 903 -0.301319356 -0.452456690 -0.251155730 1 ACH O2 904 0.320950811 0.150751589 0.279212297 1 ACH H2 905 0.125618267 0.142162589 2.215342891 1 ACH C1 906 0.142132364 -0.014297660 -0.138617794 1 ACH C2 907 -0.293544883 0.447265754 -0.019786829 1 ACH O1 908 -0.215192428 0.302828436 0.096585551 1 ACH O2 909 -0.391474762 -0.039253336 0.042800797 1 ACH H2 910 0.085104102 -0.905620636 -0.941472347 1 ACH C1 911 -0.857087136 -0.057199277 0.048000306 1 ACH C2 912 -0.548559429 -0.318938651 -0.424546863 1 ACH O1 913 0.114517449 0.193263828 -0.182929965 1 ACH O2 914 0.220337965 -0.599345254 -0.293870704 1 ACH H2 915 -1.017356149 -0.970774497 3.206109768 1 ACH C1 916 0.289723061 -1.105246385 0.064385200 1 ACH C2 917 -0.084640667 -0.372520537 0.086871099 1 ACH O1 918 -0.455997408 -0.173056481 -0.091524060 1 ACH O2 919 0.350037589 -0.261202576 0.494416770 1 ACH H2 920 0.237973334 -0.473016266 1.188484935 1 ACH C1 921 0.811025004 0.468870902 0.283080085 1 ACH C2 922 0.746014965 0.214804531 0.020141020 1 ACH O1 923 0.671286303 0.263389525 -0.138891679 1 ACH O2 924 0.193464848 0.166482114 0.162454158 1 ACH H2 925 3.524709265 0.906074700 -1.581644992 1 ACH C1 926 0.015887421 0.281660381 -0.409117206 1 ACH C2 927 0.011147427 0.287605960 -0.404936365 1 ACH O1 928 0.115529653 0.259939088 -0.482412196 1 ACH O2 929 0.618662476 0.344290239 -0.079390466 1 ACH H2 930 0.404054469 -1.603129944 2.153988347 1 ACH C1 931 0.412127670 0.175872780 0.023190186 1 ACH C2 932 -0.827963459 -0.407920351 -0.461832240 1 ACH O1 933 0.417467990 0.075256449 -0.197236085 1 ACH O2 934 0.190125670 -0.101717294 0.252318833 1 ACH H2 935 0.335783248 0.998882803 0.649021402 1 ACH C1 936 -0.218488142 0.150341342 0.321727140 1 ACH C2 937 -0.232991596 0.029508166 -0.061438451 1 ACH O1 938 -0.515987313 -0.049703763 0.619766931 1 ACH O2 939 -0.217354731 -0.829919944 -0.098902295 1 ACH H2 940 -0.373479854 -0.983652153 -0.421822911 1 ACH C1 941 0.390615938 0.361231983 0.233216606 1 ACH C2 942 -0.367129553 0.535221468 -0.878274184 1 ACH O1 943 -0.122675796 0.265194210 -0.253259402 1 ACH O2 944 0.380483089 0.029735173 -0.262014325 1 ACH H2 945 2.649563458 1.260266417 0.603342832 1 ACH C1 946 -0.267356850 -0.187955107 0.443663117 1 ACH C2 947 -0.704640144 -0.642112739 0.376440592 1 ACH O1 948 -0.337735152 -0.898755619 -0.334360522 1 ACH O2 949 -0.426047122 -0.004589978 0.547402446 1 ACH H2 950 0.636540378 -2.115108288 0.012684226 1 ACH C1 951 -0.026213480 1.059435705 -0.422011571 1 ACH C2 952 -0.228712638 0.160070522 0.117872718 1 ACH O1 953 0.371337754 0.070737917 -0.204513239 1 ACH O2 954 -0.268030290 0.280164413 0.123944239 1 ACH H2 955 -0.304834339 -0.394318027 -0.078832591 1 ACH C1 956 -0.875461314 -0.269124546 0.297077769 1 ACH C2 957 -0.205382363 0.038590380 -0.629807747 1 ACH O1 958 0.187318447 0.504144651 -0.071979094 1 ACH O2 959 0.100007829 0.082160494 0.047898000 1 ACH H2 960 -1.771861108 -0.355311238 0.799678336 1 ACH C1 961 0.084990513 0.132411447 -0.276921434 1 ACH C2 962 0.052006490 -0.206338213 -0.609636458 1 ACH O1 963 0.089688403 -0.272565104 -0.548765901 1 ACH O2 964 0.178834181 0.157178448 -0.301660477 1 ACH H2 965 0.561781043 1.717714457 0.433710499 1 ACH C1 966 -0.104711965 -0.000734192 -0.158057102 1 ACH C2 967 -0.439772086 -0.480560673 -0.164543643 1 ACH O1 968 -0.054435464 -0.271861298 0.532631682 1 ACH O2 969 -0.194780715 -0.528466000 -0.935291509 1 ACH H2 970 1.518607732 -0.306811244 -1.701170907 1 ACH C1 971 0.694382184 0.104492938 0.442167952 1 ACH C2 972 0.727682277 -0.125333089 0.022833838 1 ACH O1 973 0.284858970 -0.123925041 -0.324690232 1 ACH O2 974 -0.404545424 -0.773509512 0.416051057 1 ACH H2 975 -1.520040916 -0.523215765 -2.360573396 1 ACH C1 976 -0.347779779 -0.106411799 0.217076303 1 ACH C2 977 -0.226994013 0.110083972 0.530765700 1 ACH O1 978 0.198282916 -0.379260056 -0.187434273 1 ACH O2 979 -0.101062813 0.502934194 -0.229252527 1 ACH H2 980 1.140552788 4.364205478 -0.127082324 1 ACH C1 981 0.233645003 -0.109589170 -0.014632603 1 ACH C2 982 -0.712131380 0.158118563 0.444992071 1 ACH O1 983 -0.825287840 0.029112072 0.285343475 1 ACH O2 984 0.057584118 0.050779741 0.324903538 1 ACH H2 985 -0.327996460 -0.733773646 0.536277774 1 ACH C1 986 0.299016438 -0.081816048 0.351658288 1 ACH C2 987 0.148491683 0.102459479 0.361979857 1 ACH O1 988 0.193550631 -0.277061143 0.019047008 1 ACH O2 989 -0.094224274 -0.070884426 0.396256111 1 ACH H2 990 -0.423579935 -1.868889715 -0.730422335 1 ACH C1 991 -0.059209793 0.402821711 -0.023739077 1 ACH C2 992 -0.008133827 0.161552371 -0.040534930 1 ACH O1 993 -0.118793189 0.166882792 0.080486500 1 ACH O2 994 -0.245219378 0.075168256 0.242139394 1 ACH H2 995 1.355471718 0.367992933 -0.575820670 1 ACH C1 996 0.193311220 -0.151499091 0.290902534 1 ACH C2 997 -0.402749756 0.482221416 -0.058209394 1 ACH O1 998 -0.002155030 0.263122054 -0.652781269 1 ACH O2 999 -0.510863761 0.428908609 -0.326156261 1 ACH H2 1000 1.504291313 -1.875125721 0.031312194 1 ACH C1 1001 0.356105239 0.045775038 -0.043670696 1 ACH C2 1002 0.013723333 0.112217767 -0.158628339 1 ACH O1 1003 0.635936647 -0.514624354 -0.539550494 1 ACH O2 1004 0.046208071 -0.524911010 0.334089764 1 ACH H2 1005 0.615605489 -0.107010081 -0.038475501 1 ACH C1 1006 0.683327210 -0.042608405 -0.400091187 1 ACH C2 1007 -0.986469320 -0.106311329 -0.566507148 1 ACH O1 1008 0.605447241 0.018878551 0.154215244 1 ACH O2 1009 0.118701673 -0.006978484 0.549375420 1 ACH H2 1010 0.141766514 -0.541278427 0.953394334 1 ACH C1 1011 -0.171517141 -0.369149033 -0.246108686 1 ACH C2 1012 -0.125604843 0.149515060 -0.092320381 1 ACH O1 1013 -0.233517733 0.214313233 -0.167260987 1 ACH O2 1014 -0.020128138 0.348812738 -0.346588745 1 ACH H2 1015 0.215714665 -0.385106096 2.493327826 1 ACH C1 1016 -0.512032274 0.032560257 0.341862806 1 ACH C2 1017 0.078267337 0.011257121 -0.265540505 1 ACH O1 1018 0.227742191 0.465055186 0.091501819 1 ACH O2 1019 -0.010098367 0.282679429 -0.344016964 1 ACH H2 1020 0.715902714 0.423951160 2.292555941 1 ACH C1 1021 -0.490480065 0.019439791 -1.270557680 1 ACH C2 1022 -0.281342488 0.098986221 -0.816215424 1 ACH O1 1023 -0.270681462 0.174099715 0.059481399 1 ACH O2 1024 0.018103032 -0.060934731 0.018041996 1 ACH H2 1025 -0.957567583 -0.743270847 0.067995515 1 ACH C1 1026 -0.640685864 -0.375433981 0.711590394 1 ACH C2 1027 -0.019400626 0.165419884 0.172766284 1 ACH O1 1028 0.227307510 0.113852200 0.290523722 1 ACH O2 1029 0.355560123 -0.119043711 0.479530364 1 ACH H2 1030 -0.234063587 -0.067688106 -1.679934609 1 ACH C1 1031 0.062846251 -0.454340107 0.241552734 1 ACH C2 1032 0.066767491 -0.919510998 -0.199658645 1 ACH O1 1033 -0.244001972 -0.289767603 0.392713951 1 ACH O2 1034 0.857882645 -0.371612901 0.583039404 1 ACH H2 1035 -0.498619338 -3.147927518 0.805766898 1 ACH C1 1036 0.591600525 -0.044606954 -0.112927754 1 ACH C2 1037 0.381771191 0.124865207 -0.093559305 1 ACH O1 1038 0.110445966 -0.719594352 -0.133584172 1 ACH O2 1039 -0.389410400 -0.301006441 -0.263712847 1 ACH H2 1040 0.497603805 -0.985452838 -0.786985607 1 ACH C1 1041 -0.310123323 -0.101048331 -0.245251868 1 ACH C2 1042 0.140060229 0.041453380 -0.297642959 1 ACH O1 1043 -0.171505219 0.746648487 0.180322243 1 ACH O2 1044 0.377241133 -0.203495711 0.128615929 1 ACH H2 1045 -0.151919902 -0.939382874 0.461393112 1 ACH C1 1046 0.651301750 -0.181296343 0.299742211 1 ACH C2 1047 0.027719657 -0.797896378 0.316570303 1 ACH O1 1048 0.189578885 -0.532424446 0.196348374 1 ACH O2 1049 -0.356498963 -0.566636608 -0.220918574 1 ACH H2 1050 1.558905890 -1.239069948 -0.983751370 1 ACH C1 1051 0.089465611 0.056380193 0.188576965 1 ACH C2 1052 0.122204905 -0.300762254 -0.571911885 1 ACH O1 1053 -0.093214010 -0.112032053 0.391956478 1 ACH O2 1054 -0.083729274 0.154967498 -0.039924372 1 ACH H2 1055 0.027969621 -0.316082297 -0.728072829 1 ACH C1 1056 0.463937705 0.300265427 -0.406201081 1 ACH C2 1057 0.070799073 -0.675217897 0.226780552 1 ACH O1 1058 -0.023189221 -0.088437757 0.310174986 1 ACH O2 1059 -0.489479961 0.396391047 0.045434816 1 ACH H2 1060 2.283077984 -1.849661653 -1.482480159 1 ACH C1 1061 0.163470440 0.013523501 0.107111572 1 ACH C2 1062 -0.165297577 -0.290472322 0.767476054 1 ACH O1 1063 0.238088064 0.313240620 0.729439390 1 ACH O2 1064 0.231684984 0.286844237 0.194816732 1 ACH H2 1065 -0.466581849 0.459447104 1.666320924 1 ACH C1 1066 0.816155014 0.101279094 -0.070040797 1 ACH C2 1067 -0.498938313 0.385713461 0.240560943 1 ACH O1 1068 0.370522116 0.150895640 0.392566062 1 ACH O2 1069 0.155180877 0.213943681 0.044390818 1 ACH H2 1070 2.755249053 -1.267432470 0.178001826 1 ACH C1 1071 -0.207791912 0.158447204 -0.394481763 1 ACH C2 1072 0.116042216 -0.051998261 0.356267645 1 ACH O1 1073 -0.253668779 -0.366043670 0.303123037 1 ACH O2 1074 0.174747330 -0.113986789 0.398007286 1 ACH H2 1075 0.167427242 -0.121844836 0.386468233 1 ACH C1 1076 -0.297083607 0.431487370 -0.130714473 1 ACH C2 1077 -0.306400395 0.514304873 -0.544025491 1 ACH O1 1078 0.753425928 -0.226447759 0.732119669 1 ACH O2 1079 -0.290928953 0.001293424 0.415561271 1 ACH H2 1080 -0.256148197 0.013935400 0.300488753 1 ACH C1 1081 -0.527738144 0.436002287 -0.002701906 1 ACH C2 1082 0.552243043 0.127558591 0.305927057 1 ACH O1 1083 -0.184324992 -0.019442484 -0.677185147 1 ACH O2 1084 -0.102097981 -0.100199802 0.359629862 1 ACH H2 1085 -0.834257952 -1.887461696 1.023079078 1 ACH C1 1086 -0.649545973 -0.449819283 0.391102521 1 ACH C2 1087 0.217113406 0.242368580 0.403240227 1 ACH O1 1088 -0.003643889 -0.061202019 -0.278371251 1 ACH O2 1089 -0.105934056 0.511697017 0.275915494 1 ACH H2 1090 -0.064150500 -1.372949237 -1.389752364 1 ACH C1 1091 0.545913577 -0.104082345 -0.317011258 1 ACH C2 1092 0.511693781 0.016789150 -0.105721309 1 ACH O1 1093 0.628254346 0.184761688 -0.024066479 1 ACH O2 1094 0.219006080 -0.181088469 0.152933967 1 ACH H2 1095 -0.472137040 0.945209329 -0.116784483 1 ACH C1 1096 -0.027218003 0.589295392 0.110962797 1 ACH C2 1097 0.840862008 -0.120318785 1.138548370 1 ACH O1 1098 0.145178059 -0.259866359 0.264502194 1 ACH O2 1099 0.242871543 0.467339569 -0.465245332 1 ACH H2 1100 0.828274077 2.010512021 3.428226159 1 ACH C1 1101 0.077904077 0.069420811 0.371427106 1 ACH C2 1102 -0.176850048 -0.025929774 0.159121431 1 ACH O1 1103 -0.261981569 -0.527107514 0.214986677 1 ACH O2 1104 -0.566560604 -0.335206088 0.028963969 1 ACH H2 1105 -0.702931718 -0.341186908 -0.066866582 1 ACH C1 1106 -0.276628478 -0.507919384 0.158203955 1 ACH C2 1107 -0.266237051 0.210140967 -0.225799416 1 ACH O1 1108 -0.048948702 0.351837150 -0.100321328 1 ACH O2 1109 0.274384315 0.218192782 0.214511864 1 ACH H2 1110 2.059516128 1.563311557 0.178316768 1 ACH C1 1111 -0.148697509 0.343069210 -0.181853232 1 ACH C2 1112 -0.261793718 0.254446842 0.071045222 1 ACH O1 1113 -0.056771391 0.442850775 0.289320545 1 ACH O2 1114 -0.047935404 0.131660580 -0.036258788 1 ACH H2 1115 -0.930777533 -2.374478875 -1.902540524 1 ACH C1 1116 1.083147084 0.114839090 0.191134817 1 ACH C2 1117 0.081260975 -0.083220186 -0.218293684 1 ACH O1 1118 -0.295812177 0.420689726 0.041854158 1 ACH O2 1119 -0.293107638 -0.304658722 0.158801343 1 ACH H2 1120 -0.449067833 0.847267477 0.410863864 1 ACH C1 1121 0.291661902 0.301063961 -0.707759167 1 ACH C2 1122 -0.494144931 0.573277683 -0.262394597 1 ACH O1 1123 0.196588144 0.422063649 -0.028090575 1 ACH O2 1124 -0.078936519 0.087684142 -0.155737096 1 ACH H2 1125 0.271892732 -0.105598400 -0.551426878 1 ACH C1 1126 -0.280134934 0.063530472 -0.233598448 1 ACH C2 1127 -0.926041048 0.299429131 -0.006690353 1 ACH O1 1128 -0.197300608 -0.161463134 0.277701956 1 ACH O2 1129 -0.442092594 -0.471447322 -0.109286304 1 ACH H2 1130 -2.622115110 0.222995767 -2.260285341 1 ACH C1 1131 0.351434038 -0.047145611 -0.800904461 1 ACH C2 1132 0.324421720 -0.057913842 -0.141211775 1 ACH O1 1133 -0.506014370 -0.046221114 0.032757247 1 ACH O2 1134 0.299788658 0.100759067 0.259822776 1 ACH H2 1135 0.189439422 0.008131420 0.731617326 1 ACH C1 1136 0.306281550 -0.215138417 -0.258289807 1 ACH C2 1137 -0.473792164 -0.565685986 -0.258134864 1 ACH O1 1138 0.355804634 -0.779162117 -0.257279130 1 ACH O2 1139 -0.263887038 -0.568871540 -0.050494118 1 ACH H2 1140 0.415714605 -0.694297775 -0.756076823 1 ACH C1 1141 -0.156418566 0.712447399 -0.035005113 1 ACH C2 1142 -0.093655682 0.173553499 0.316626445 1 ACH O1 1143 0.135633598 0.143756632 -0.254155113 1 ACH O2 1144 -0.360962539 0.336817804 -0.233130675 1 ACH H2 1145 -0.561206559 1.143937283 0.684618452 1 ACH C1 1146 -0.463207906 -0.058131082 0.135891782 1 ACH C2 1147 -0.251763261 -0.432559567 -0.237168255 1 ACH O1 1148 -0.200535668 -0.457053902 -0.113198946 1 ACH O2 1149 0.093987300 0.007529417 0.325841994 1 ACH H2 1150 0.472544599 -0.259661632 -0.655474632 1 ACH C1 1151 -0.245253417 0.310892324 0.172543762 1 ACH C2 1152 0.176047119 0.201790682 0.053589406 1 ACH O1 1153 -0.095811365 0.270142945 -0.044200369 1 ACH O2 1154 0.041956287 0.333588218 0.142778926 1 ACH H2 1155 0.355634224 -1.380741702 2.601076248 1 ACH C1 1156 0.356452616 0.120035108 -0.553118785 1 ACH C2 1157 0.006113405 -0.133518664 0.022381767 1 ACH O1 1158 0.158881895 0.008826618 -0.121700892 1 ACH O2 1159 -0.202658848 -0.438683872 -0.750408066 1 ACH H2 1160 -0.532968092 -1.776292884 1.328674127 1 ACH C1 1161 0.335870745 0.858914773 -0.159408799 1 ACH C2 1162 -0.730682737 0.044788442 0.311902660 1 ACH O1 1163 -0.504513373 0.476838639 0.094219550 1 ACH O2 1164 0.075229158 -0.155341917 0.005713539 1 ACH H2 1165 -0.265136515 -0.645009091 1.219063464 1 ACH C1 1166 -0.017863604 0.631704899 0.423502609 1 ACH C2 1167 0.217531492 0.368591170 0.362763696 1 ACH O1 1168 -0.263126388 -0.051876412 0.190776000 1 ACH O2 1169 0.364809702 0.367060926 0.234239993 1 ACH H2 1170 -1.658855626 0.022835826 -2.013678132 1 ACH C1 1171 -0.111533463 -0.051423049 0.055636364 1 ACH C2 1172 0.171760710 -0.354371577 -0.072662789 1 ACH O1 1173 0.200172728 -0.486497133 0.114101018 1 ACH O2 1174 -0.262467282 -0.350722836 0.016655937 1 ACH H2 1175 -1.116792892 0.035024787 0.586382549 1 ACH C1 1176 0.216159349 0.071779168 -0.071731766 1 ACH C2 1177 0.213010459 -0.217214882 0.010660852 1 ACH O1 1178 -0.022098036 0.186841852 0.043980112 1 ACH O2 1179 -0.518757305 0.430774780 0.298581130 1 ACH H2 1180 0.170114585 1.997672868 0.207986857 1 ACH C1 1181 0.276067384 0.701777711 -0.607923366 1 ACH C2 1182 0.019693574 -0.538462273 -0.502105914 1 ACH O1 1183 -0.217330048 -0.390297574 -0.231396357 1 ACH O2 1184 0.543849256 0.202968646 0.607239049 1 ACH H2 1185 -0.278551239 0.794296155 1.157208051 1 ACH C1 1186 -0.266563001 0.019292681 0.432415991 1 ACH C2 1187 -0.058373857 0.480428421 -0.529112851 1 ACH O1 1188 -0.546885556 -0.458810515 -0.095998118 1 ACH O2 1189 0.176249278 0.057470870 -0.003761235 1 ACH H2 1190 -0.426251562 0.987644322 -1.436856311 1 ACH C1 1191 -0.512462828 0.404527425 -0.285646886 1 ACH C2 1192 0.358597881 -0.420964237 -0.120288313 1 ACH O1 1193 -0.486131135 -0.275113419 -0.412017973 1 ACH O2 1194 0.164578895 -0.064409553 0.026868072 1 ACH H2 1195 0.787023122 -1.044581461 0.123861360 1 ACH C1 1196 -0.052683317 -0.078347171 0.081541591 1 ACH C2 1197 0.475783979 -0.133755101 -0.040912859 1 ACH O1 1198 -0.147867114 0.007977495 -0.152158656 1 ACH O2 1199 0.565178732 -0.652274031 0.341369220 1 ACH H2 1200 1.519247893 2.306196893 2.454250639 1 ACH C1 1201 -0.029767366 -0.148655893 -0.437632968 1 ACH C2 1202 0.042986326 -0.029818966 -0.592959152 1 ACH O1 1203 -0.154203497 0.224790222 0.355331503 1 ACH O2 1204 0.110617651 -0.420396201 -0.015086073 1 ACH H2 1205 -0.023892851 -0.053596355 -0.185803802 1 ACH C1 1206 0.177814141 0.072614075 0.086811242 1 ACH C2 1207 -0.000732487 -0.022836026 0.033580897 1 ACH O1 1208 -0.720157270 -0.406198665 0.713345928 1 ACH O2 1209 0.042918862 -0.154191483 -0.407329221 1 ACH H2 1210 0.939983594 -0.411038728 -0.289285816 1 ACH C1 1211 0.088973421 0.184623457 0.126022948 1 ACH C2 1212 0.408743869 0.578755313 0.228813128 1 ACH O1 1213 0.263968986 -0.117950761 0.348285821 1 ACH O2 1214 0.583741187 0.029432261 0.873205828 1 ACH H2 1215 1.697503533 0.388983322 -0.529054898 1 ACH C1 1216 0.643765547 -0.116575301 0.107790423 1 ACH C2 1217 0.152956997 -0.159199442 -0.167707379 1 ACH O1 1218 0.189841982 0.371267507 0.273399037 1 ACH O2 1219 0.383116231 -0.148296190 0.632636485 1 ACH H2 1220 -0.736542880 0.127315301 -0.376755605 1 ACH C1 1221 -0.433290607 -0.456080404 0.422323981 1 ACH C2 1222 0.046460412 0.141783520 -0.823996970 1 ACH O1 1223 0.261215011 -0.546871220 0.027400077 1 ACH O2 1224 0.121632715 -0.867165697 -0.251605398 1 ACH H2 1225 0.349630997 2.773441872 -2.271041835 1 ACH C1 1226 0.249839142 0.282058327 -0.098078215 1 ACH C2 1227 0.210935178 0.954687405 0.001020964 1 ACH O1 1228 -0.257591909 -0.370475341 -0.142479145 1 ACH O2 1229 0.035333765 0.327860747 -0.037688603 1 ACH H2 1230 -0.810344561 0.621414202 0.130158827 1 ACH C1 1231 0.167816408 0.443904582 0.074203070 1 ACH C2 1232 -0.307438594 0.143791224 0.410171073 1 ACH O1 1233 -0.158179768 0.135294490 0.317953413 1 ACH O2 1234 -0.107387054 0.259193036 -0.641854477 1 ACH H2 1235 -0.532220044 0.608527375 -0.523148809 1 ACH C1 1236 0.448776215 1.058531001 -0.058972823 1 ACH C2 1237 0.059274305 0.443832111 -0.297799464 1 ACH O1 1238 0.435644674 0.375201939 0.235613563 1 ACH O2 1239 -0.005556189 0.207814284 -0.111067576 1 ACH H2 1240 -1.257084718 0.659498335 1.996629432 1 ACH C1 1241 -0.180552582 -0.277916132 0.552958661 1 ACH C2 1242 -0.335285028 0.113797678 0.101284375 1 ACH O1 1243 -0.571160766 0.049692202 0.355859156 1 ACH O2 1244 -0.220073867 0.379820584 -0.134790013 1 ACH H2 1245 1.357568869 -0.603583638 -3.730301279 1 ACH C1 1246 0.555873130 0.307929493 -0.378671464 1 ACH C2 1247 0.130416272 -0.000629814 0.009962449 1 ACH O1 1248 -0.154073633 0.726519228 0.147437523 1 ACH O2 1249 -0.602753544 -0.166873857 -0.471837443 1 ACH H2 1250 -0.288673449 -0.367204493 -1.304121049 1 ACH C1 1251 -0.214353058 0.291633802 -0.323315009 1 ACH C2 1252 -0.263877698 -0.461866238 -0.556429411 1 ACH O1 1253 -0.208349688 -0.319986864 -0.441652727 1 ACH O2 1254 -0.052506934 -0.321176267 -0.173238507 1 ACH H2 1255 0.388575772 -1.289559880 -2.095124556 1 ACH C1 1256 0.339912168 0.289542922 0.148664267 1 ACH C2 1257 -0.004602330 -0.224547850 -0.059050377 1 ACH O1 1258 -0.344510380 0.597501688 -0.563871613 1 ACH O2 1259 -0.347112749 -0.181584509 0.439648088 1 ACH H2 1260 1.172745518 1.728951572 0.398956818 1 ACH C1 1261 0.078933355 -0.475353233 -0.064302598 1 ACH C2 1262 0.090953989 0.954332151 0.090971671 1 ACH O1 1263 0.189061465 0.050696591 -0.324019512 1 ACH O2 1264 -0.259868943 -0.652564735 -0.394223997 1 ACH H2 1265 0.378877544 -3.428638209 -0.474039378 1 ACH C1 1266 -0.352387601 -0.169881449 -0.195717050 1 ACH C2 1267 -0.635922627 -0.111948087 -0.625533680 1 ACH O1 1268 -0.026313986 0.171213170 -0.199049825 1 ACH O2 1269 -0.614853326 -0.047140010 0.306366628 1 ACH H2 1270 0.647471661 -0.036029776 -0.988349398 1 ACH C1 1271 0.069964474 0.044514055 0.247882060 1 ACH C2 1272 0.065038528 -0.349164737 -0.235835586 1 ACH O1 1273 0.430448033 0.221531921 0.300328684 1 ACH O2 1274 0.035630001 -0.364916240 -0.287340797 1 ACH H2 1275 -0.905378137 -1.093142690 -2.864182544 1 ACH C1 1276 -0.256441221 0.092313645 0.043735495 1 ACH C2 1277 -0.180455681 0.109425095 0.038061512 1 ACH O1 1278 0.120095490 -0.183148860 0.082294475 1 ACH O2 1279 -0.253461602 -0.047141179 -0.017523628 1 ACH H2 1280 0.260656606 1.105668127 -2.478162514 1 ACH C1 1281 0.470751622 -0.415500303 0.211812027 1 ACH C2 1282 -0.139740420 0.269856812 0.157261607 1 ACH O1 1283 0.148765798 -0.208961993 -0.703421658 1 ACH O2 1284 0.402500848 0.104976610 1.133184998 1 ACH H2 1285 0.773458268 -0.139274221 0.871906061 1 ACH C1 1286 -0.276660241 0.164677033 -0.225845206 1 ACH C2 1287 -0.128119154 0.259515449 -0.374105250 1 ACH O1 1288 -0.455959047 -0.025916139 0.294541979 1 ACH O2 1289 0.148678615 0.935809984 -0.279251642 1 ACH H2 1290 -2.720587047 -0.516809551 0.928384422 1 ACH C1 1291 0.516932357 -0.564344837 -0.154578588 1 ACH C2 1292 -0.262700917 -0.250437612 0.110432782 1 ACH O1 1293 0.090706689 -0.118061968 -0.352596683 1 ACH O2 1294 0.370934607 0.044927790 -0.136952671 1 ACH H2 1295 -1.508905899 2.244762983 1.189547519 1 ACH C1 1296 0.042502491 0.365237399 -0.622953777 1 ACH C2 1297 0.078809476 -0.038540570 -0.595439530 1 ACH O1 1298 -0.110438061 0.132208783 -0.078302330 1 ACH O2 1299 0.070724893 -0.018614944 -0.600577241 1 ACH H2 1300 0.394853485 1.289028862 1.134217152 1 ACH C1 1301 -0.238181836 0.068463584 -0.481780936 1 ACH C2 1302 -0.348741895 0.053108009 -0.672077279 1 ACH O1 1303 -0.337258135 0.491348350 -0.502808547 1 ACH O2 1304 0.435480855 0.705068070 -0.302332078 1 ACH H2 1305 1.761109455 -0.555601229 1.303640933 1 ACH C1 1306 -0.559668197 0.731610747 -0.185041024 1 ACH C2 1307 0.083164708 0.023476483 -0.145381498 1 ACH O1 1308 0.594175751 -0.233342185 0.176722730 1 ACH O2 1309 0.409050172 0.289729506 0.233865829 1 ACH H2 1310 -0.682375636 0.609446619 1.321389332 1 ACH C1 1311 -0.540908254 0.347366688 0.296859491 1 ACH C2 1312 0.429952540 -0.301683138 0.451631979 1 ACH O1 1313 0.122023037 -0.098423710 0.576846904 1 ACH O2 1314 0.106552611 -0.220101677 0.516532242 1 ACH H2 1315 -0.572357686 0.447149804 -0.127075975 1 ACH C1 1316 0.106508577 0.316172262 0.002116021 1 ACH C2 1317 0.415205887 0.118877732 0.240945816 1 ACH O1 1318 0.416529810 -0.454529578 -0.285529954 1 ACH O2 1319 0.379384612 0.080826138 0.251729902 1 ACH H2 1320 4.210748534 -1.626618870 1.446949900 1 ACH C1 1321 -0.638919403 0.538870514 -0.139993036 1 ACH C2 1322 0.365463824 -0.409108740 0.502377530 1 ACH O1 1323 0.316169882 -0.785113260 0.278356780 1 ACH O2 1324 0.712451789 0.064154953 0.063696976 1 ACH H2 1325 -0.206663988 0.918993645 -0.611717894 1 ACH C1 1326 0.572733395 0.100779974 0.387212262 1 ACH C2 1327 -0.001958073 0.186763259 0.093967376 1 ACH O1 1328 -0.658704552 -0.633747479 -0.075824588 1 ACH O2 1329 0.493964895 -0.289370601 -0.185990930 1 ACH H2 1330 1.101104387 -0.891680263 -1.371884245 1 ACH C1 1331 -0.377334311 0.723014739 -0.741543931 1 ACH C2 1332 -0.005227672 -0.039165611 -0.158228752 1 ACH O1 1333 0.910256813 -0.546528170 -0.009206493 1 ACH O2 1334 -0.203521282 0.228847473 0.046959743 1 ACH H2 1335 0.404534612 1.498319141 0.590597007 1 ACH C1 1336 0.035593896 0.285459048 0.190529366 1 ACH C2 1337 0.148222468 0.283095256 -0.076018425 1 ACH O1 1338 0.499306260 0.030806570 -0.306006280 1 ACH O2 1339 0.018101536 0.342116353 -0.209999375 1 ACH H2 1340 -0.474075674 -1.467431976 0.258777778 1 ACH C1 1341 0.631941753 0.223835612 0.152736556 1 ACH C2 1342 0.186944079 0.293347684 0.275894412 1 ACH O1 1343 0.236880456 0.630564174 0.031161180 1 ACH O2 1344 0.548476830 0.292090626 -0.052919535 1 ACH H2 1345 -0.584509369 1.481970809 0.667691295 1 ACH C1 1346 -0.236525514 -0.205603958 -0.642961839 1 ACH C2 1347 -0.285827172 0.104975980 -0.094260870 1 ACH O1 1348 0.017344222 -0.406159495 -0.408095059 1 ACH O2 1349 -0.124461614 -0.389793735 0.102185982 1 ACH H2 1350 0.479713238 -0.033016942 -0.394759776 1 ACH C1 1351 0.023736680 -0.922036939 0.258684228 1 ACH C2 1352 -0.184390083 -0.254825806 -0.146351809 1 ACH O1 1353 0.025294160 0.121423842 -0.399554556 1 ACH O2 1354 0.464353954 0.523598347 0.143719304 1 ACH H2 1355 -0.162591490 0.406024900 -0.733393917 1 ACH C1 1356 -0.203359994 -0.346583218 -0.072889433 1 ACH C2 1357 -0.360983874 -0.113701596 0.349443009 1 ACH O1 1358 -0.084010088 0.216551467 -0.159176090 1 ACH O2 1359 -0.209570598 0.040107036 0.739635281 1 ACH H2 1360 -0.291308099 0.475259538 -0.878780041 1 ACH C1 1361 0.678023657 0.206769187 -0.905321656 1 ACH C2 1362 0.002545720 -0.192556104 0.267938167 1 ACH O1 1363 -0.023001521 0.186580571 0.204733247 1 ACH O2 1364 0.202834581 -0.287778767 0.423880025 1 ACH H2 1365 -0.636686904 -0.926461699 1.708884561 1 ACH C1 1366 0.068791042 0.230320596 0.087559975 1 ACH C2 1367 0.291681500 0.073270451 0.191072459 1 ACH O1 1368 -0.271575954 0.298929784 -0.442511831 1 ACH O2 1369 0.697079102 -0.124660427 0.890375327 1 ACH H2 1370 -0.614580806 -0.824158262 -2.971297965 1 ACH C1 1371 0.012304075 0.023124976 -0.304592103 1 ACH C2 1372 0.353895371 0.004148791 -0.175864931 1 ACH O1 1373 0.110625482 -0.061093424 0.060218016 1 ACH O2 1374 -0.377643569 0.068403146 -0.046079564 1 ACH H2 1375 2.186140545 2.074720464 0.046145485 1 ACH C1 1376 0.267817144 0.356306907 0.290909268 1 ACH C2 1377 -0.251752818 -0.079365258 -0.415717037 1 ACH O1 1378 -0.362694048 -0.905899332 -0.011700559 1 ACH O2 1379 -0.303419320 0.308040102 0.271750148 1 ACH H2 1380 0.793657026 1.627732338 1.256582183 1 ACH C1 1381 -0.212306310 -0.128285835 -0.134170830 1 ACH C2 1382 -0.669193991 0.152540858 -0.073101487 1 ACH O1 1383 -0.587102621 -0.008625729 0.265149424 1 ACH O2 1384 -0.706400946 0.126001699 -0.091325906 1 ACH H2 1385 -2.574720052 1.108375543 -0.671288399 1 ACH C1 1386 0.077933011 0.025868304 -0.501993814 1 ACH C2 1387 -0.723189311 -0.082540957 0.121043047 1 ACH O1 1388 0.149320605 0.277011281 0.124771147 1 ACH O2 1389 -0.353831901 0.332744288 0.798958459 1 ACH H2 1390 1.582869518 0.341090975 -0.102935623 1 ACH C1 1391 0.252932007 -0.211885184 0.262727524 1 ACH C2 1392 -0.424979520 0.033384424 -0.003076687 1 ACH O1 1393 -0.439735808 -0.680288221 -0.692537325 1 ACH O2 1394 -0.165966746 0.122222592 0.914090824 1 ACH H2 1395 -0.746618606 -0.644297846 -1.387832321 1 ACH C1 1396 -0.357032746 -0.062648054 0.245283303 1 ACH C2 1397 0.025802236 1.000006516 -0.877481733 1 ACH O1 1398 -0.091786618 0.294204576 -0.228825033 1 ACH O2 1399 -0.201973117 -0.367434053 0.282832037 1 ACH H2 1400 2.749184201 -1.268000137 1.465681689 1 ACH C1 1401 0.564827956 0.006094576 -0.179088676 1 ACH C2 1402 0.216312164 0.035606442 -0.533198760 1 ACH O1 1403 -0.339850724 -0.536828469 0.799701264 1 ACH O2 1404 -0.165611645 0.971280765 0.207087026 1 ACH H2 1405 -1.122816688 0.204534064 -0.831378320 1 ACH C1 1406 0.103322246 0.522155403 0.204535999 1 ACH C2 1407 0.220983958 0.334049655 0.115876900 1 ACH O1 1408 -0.601207867 0.156874884 -0.728706984 1 ACH O2 1409 0.371598336 0.225886800 -0.154901914 1 ACH H2 1410 1.209330757 0.908791284 -0.121438435 1 ACH C1 1411 -0.283473817 -0.028411371 -0.495483962 1 ACH C2 1412 0.154477654 -0.932219203 -0.571250845 1 ACH O1 1413 -0.149898493 -0.383656868 -0.528567272 1 ACH O2 1414 -0.410231485 -0.477462983 -0.565571560 1 ACH H2 1415 -0.480440644 -2.325720944 -1.113637096 1 ACH C1 1416 0.384049814 -0.097290951 0.122832431 1 ACH C2 1417 0.066731463 0.005091569 -0.456227245 1 ACH O1 1418 -0.101997288 -0.300770416 -0.685001868 1 ACH O2 1419 -0.626690522 0.002591346 -0.342026914 1 ACH H2 1420 0.412731518 -0.099431767 1.063714656 1 ACH C1 1421 0.460357117 0.510157817 -0.351541528 1 ACH C2 1422 0.480516221 -0.366559835 0.061298949 1 ACH O1 1423 -0.181206645 -0.005972294 -0.030699150 1 ACH O2 1424 -0.177669676 0.278022918 0.338263124 1 ACH H2 1425 0.036745626 -0.521371997 0.883173018 1 ACH C1 1426 0.242714425 0.060274384 -0.274966327 1 ACH C2 1427 0.101090015 -0.336677756 -0.163917705 1 ACH O1 1428 -0.043990735 -0.408635447 0.024657217 1 ACH O2 1429 -0.258989941 -0.675890644 -0.079157780 1 ACH H2 1430 -1.052238629 0.093595692 0.426007452 1 ACH C1 1431 -0.258849656 0.342226891 -0.049505402 1 ACH C2 1432 -0.425151124 0.203732060 0.166686795 1 ACH O1 1433 0.206782380 -0.854370223 -0.712110328 1 ACH O2 1434 0.374615080 -0.447825449 0.548698332 1 ACH H2 1435 -1.028527121 -1.794920371 1.437920702 1 ACH C1 1436 0.403237897 -0.156806910 0.241988774 1 ACH C2 1437 0.187270026 0.009699179 -0.172659296 1 ACH O1 1438 0.109644569 0.312099306 -0.061455818 1 ACH O2 1439 -0.353393474 -0.150185644 0.429471399 1 ACH H2 1440 -0.427807652 0.183342917 -1.335160361 1 ACH C1 1441 -0.029128649 0.021587092 0.817345311 1 ACH C2 1442 -0.026058938 0.026625765 0.528813126 1 ACH O1 1443 0.148401041 0.152558376 0.381838754 1 ACH O2 1444 -0.425654810 -0.520092493 0.224916678 1 ACH H2 1445 -0.404493889 -1.159094814 0.492027890 1 ACH C1 1446 -0.217564953 -0.291094619 -0.368914097 1 ACH C2 1447 -0.760008912 -0.183476504 -0.013881514 1 ACH O1 1448 0.582703243 -1.009630233 -0.181751535 1 ACH O2 1449 -0.237246152 -0.628064857 0.310085319 1 ACH H2 1450 -2.367362248 -0.094087583 1.134665138 1 ACH C1 1451 0.257657790 0.187137406 -0.146370445 1 ACH C2 1452 -0.576516807 0.246764702 -0.234098530 1 ACH O1 1453 0.474754242 -0.134512802 0.034384030 1 ACH O2 1454 -0.049036575 -0.873497086 0.047137389 1 ACH H2 1455 1.484054801 -1.023587060 -0.864208986 1 ACH C1 1456 -0.299656061 -0.322691604 0.144956022 1 ACH C2 1457 -0.302206507 -0.279309370 0.137199328 1 ACH O1 1458 0.179199582 0.252197533 -0.188944017 1 ACH O2 1459 -0.187000811 -0.034267063 0.446150958 1 ACH H2 1460 0.498967954 -0.599821632 0.300224170 1 ACH C1 1461 -0.026507707 0.529708193 -0.235438195 1 ACH C2 1462 0.193420988 0.271614621 0.364285686 1 ACH O1 1463 -0.059099787 -0.231008719 0.234872913 1 ACH O2 1464 0.271611530 0.030932775 -0.199596157 1 ACH H2 1465 -1.693998433 -0.728936853 -0.188470294 1 ACH C1 1466 0.645738201 0.778865639 0.086471110 1 ACH C2 1467 0.763292364 1.052124497 0.567575460 1 ACH O1 1468 -0.381792784 -0.030827859 -0.476069674 1 ACH O2 1469 -0.399883596 0.310214213 -0.113598683 1 ACH H2 1470 -1.297802521 1.137501164 0.722839212 1 ACH C1 1471 -0.029820914 -0.203430463 -0.787828928 1 ACH C2 1472 -0.113478608 -0.284983330 -0.163146588 1 ACH O1 1473 0.374978482 0.175680285 0.230726747 1 ACH O2 1474 -0.364581103 -0.442895606 -0.154711862 1 ACH H2 1475 -0.474539530 -2.885561681 1.404267761 1 ACH C1 1476 -0.639950216 -0.464509497 -0.107268821 1 ACH C2 1477 -0.766928126 0.294129659 -0.043270454 1 ACH O1 1478 -0.107891537 -0.381292859 -0.093599030 1 ACH O2 1479 -0.053098200 -0.299297396 0.167447058 1 ACH H2 1480 0.311321223 -1.401318504 0.308744477 1 ACH C1 1481 0.678491887 -0.175926923 -0.194752008 1 ACH C2 1482 0.320527422 -0.545907493 -0.127575179 1 ACH O1 1483 0.987275090 -0.572697685 0.710352463 1 ACH O2 1484 0.161513809 -0.085459890 -0.420965198 1 ACH H2 1485 -2.650045101 -1.062485847 0.868653510 1 ACH C1 1486 0.049919543 -0.268262754 0.283499729 1 ACH C2 1487 -0.393807868 -0.052158940 0.005080392 1 ACH O1 1488 -0.686431380 -0.124178146 0.156562279 1 ACH O2 1489 -0.370041323 -0.066883409 -0.006360518 1 ACH H2 1490 -0.558572317 -0.541547308 0.404249260 1 ACH C1 1491 -0.099353108 -0.134984912 0.202153858 1 ACH C2 1492 0.271212497 0.062623735 -0.162052808 1 ACH O1 1493 0.621171293 -0.223184399 0.246823878 1 ACH O2 1494 -0.114819603 -0.119078387 -0.193726923 1 ACH H2 1495 0.706289411 -0.684835887 -0.324228973 1 ACH C1 1496 0.007463055 -0.476053588 0.280531837 1 ACH C2 1497 0.117327249 0.215266518 0.007477966 1 ACH O1 1498 0.367579793 -0.267598149 0.175995477 1 ACH O2 1499 -0.108307902 0.468190109 0.031891448 1 ACH H2 1500 1.336542429 -2.799749743 0.086740018 1 ACH C1 1501 -0.183202976 0.221709626 0.446911914 1 ACH C2 1502 -0.046810383 -0.007742983 0.711385153 1 ACH O1 1503 -0.233855127 -0.223900428 -0.738121602 1 ACH O2 1504 -0.220920515 -0.091571211 0.448690959 1 ACH H2 1505 -0.125891858 -2.165411600 0.190289653 1 ACH C1 1506 0.270891612 -0.076623084 0.057086532 1 ACH C2 1507 -0.564408915 -0.041637430 0.127861351 1 ACH O1 1508 -0.253159925 0.010236037 -0.484967978 1 ACH O2 1509 -0.223958264 0.572567890 0.116144672 1 ACH H2 1510 -1.861074209 -1.654155945 0.709905634 1 ACH C1 1511 0.191829321 -0.241288666 0.388579922 1 ACH C2 1512 0.014273017 0.010138316 0.166952312 1 ACH O1 1513 0.113433482 0.145177291 -0.377954791 1 ACH O2 1514 -0.405125686 0.013370329 0.203375947 1 ACH H2 1515 -0.349924710 0.613593756 0.694341892 1 ACH C1 1516 -0.440470581 0.081368077 -0.383125584 1 ACH C2 1517 0.128233498 -0.469825532 -0.213603088 1 ACH O1 1518 0.073643913 0.153686726 -0.240141079 1 ACH O2 1519 0.461233545 0.047419034 0.084799815 1 ACH H2 1520 1.032163029 -1.022364690 -0.058465875 1 ACH C1 1521 0.207319469 -0.244417755 0.171738475 1 ACH C2 1522 0.143567186 -0.887255474 0.094061190 1 ACH O1 1523 0.373452778 0.232525743 0.499257721 1 ACH O2 1524 -0.159122176 0.536404575 -0.286947897 1 ACH H2 1525 0.322505695 0.663782966 -0.184694486 1 ACH C1 1526 -0.189004792 0.478751878 -0.330006402 1 ACH C2 1527 0.213046871 0.335726508 -0.358362064 1 ACH O1 1528 -0.191296722 -0.235438651 -0.397452028 1 ACH O2 1529 0.318469046 0.092292327 0.126126962 1 ACH H2 1530 -0.349284882 0.872945274 0.355656050 1 ACH C1 1531 0.485008866 0.273183507 -0.657109781 1 ACH C2 1532 0.315900332 0.050265189 0.275078424 1 ACH O1 1533 -0.756279542 -0.281473942 0.982088659 1 ACH O2 1534 0.367027233 -0.054207965 -0.346852441 1 ACH H2 1535 -1.184615475 -3.919217722 -0.598914010 1 ACH C1 1536 0.170253034 0.594809256 -0.198261493 1 ACH C2 1537 0.080704906 0.565261337 0.047519950 1 ACH O1 1538 0.479361753 0.522172710 0.049145609 1 ACH O2 1539 -0.320701913 -0.035371166 -0.121928457 1 ACH H2 1540 0.192550420 -2.135613705 1.937700721 1 ACH C1 1541 0.096982887 -0.240583442 0.030675457 1 ACH C2 1542 -0.013927389 -0.405599979 0.253271437 1 ACH O1 1543 -0.142194494 -0.101133067 -0.256187085 1 ACH O2 1544 0.119675258 0.455067295 -0.088955596 1 ACH H2 1545 -0.466490787 0.359791969 0.368921687 1 ACH C1 1546 0.196939799 -0.435004188 0.067317760 1 ACH C2 1547 0.470113810 0.027612007 -0.415219950 1 ACH O1 1548 0.910937570 0.007232481 0.192224177 1 ACH O2 1549 -0.307080696 -0.086920806 -0.470413030 1 ACH H2 1550 -0.444411184 2.331911541 0.130633926 1 ACH C1 1551 -0.121758844 0.219147388 -0.324055306 1 ACH C2 1552 -0.199486520 0.139776300 -0.100162342 1 ACH O1 1553 -0.017274820 0.142189257 -0.239598485 1 ACH O2 1554 0.238569198 0.263096123 -0.223135851 1 ACH H2 1555 0.034949774 0.086019940 -1.322759892 1 ACH C1 1556 0.326543425 -0.406290800 -0.783934887 1 ACH C2 1557 0.082706452 -0.116675270 0.177438925 1 ACH O1 1558 0.606664039 -0.466438966 0.051602412 1 ACH O2 1559 -0.073865579 -0.168470533 -0.048544430 1 ACH H2 1560 -1.165949631 -0.618224294 0.150665379 1 ACH C1 1561 -0.718851433 0.018067569 -0.209000303 1 ACH C2 1562 0.309414639 0.512175579 0.016757429 1 ACH O1 1563 0.555568619 0.313880881 0.384135819 1 ACH O2 1564 0.365533424 -0.243387471 -0.046742850 1 ACH H2 1565 0.641141408 0.201060787 1.330249032 1 ACH C1 1566 0.465457800 -0.400256738 -0.043630630 1 ACH C2 1567 -0.047010354 -0.277339487 -0.437488010 1 ACH O1 1568 0.248441494 -0.133666646 -0.302070659 1 ACH O2 1569 0.261373768 0.204716312 0.291563227 1 ACH H2 1570 -1.998697217 0.431354736 1.698218790 1 ACH C1 1571 -0.042407852 0.200728168 0.381142579 1 ACH C2 1572 0.033254459 -0.021436744 0.494776098 1 ACH O1 1573 -0.011905145 -0.035395792 0.330053704 1 ACH O2 1574 0.235976648 -0.031518157 0.056976133 1 ACH H2 1575 -0.351478392 0.391988865 1.276534655 1 ACH C1 1576 0.039931702 -0.601093952 -0.115691078 1 ACH C2 1577 -0.100909887 -0.025189337 -0.382722727 1 ACH O1 1578 0.005918624 0.114484234 -0.495585784 1 ACH O2 1579 -0.288407287 -0.140056324 -0.293533286 1 ACH H2 1580 -1.777728012 -0.351559459 -0.127794914 1 ACH C1 1581 -0.527276627 -0.425768394 0.409578385 1 ACH C2 1582 -1.002417859 0.369901349 0.107836477 1 ACH O1 1583 0.268020914 -0.362784550 0.352717312 1 ACH O2 1584 -0.909840269 0.029798055 0.199240766 1 ACH H2 1585 -2.605926015 1.276454383 3.056245396 1 ACH C1 1586 0.145435733 -0.547122657 -0.260293369 1 ACH C2 1587 0.017496432 0.461427271 -0.533929236 1 ACH O1 1588 0.052259728 0.123992063 0.010541430 1 ACH O2 1589 -0.653378865 -0.234125871 -0.010979275 1 ACH H2 1590 -0.758145668 -0.459151120 0.144831587 1 ACH C1 1591 -0.092499036 -0.604481288 0.181115293 1 ACH C2 1592 0.251268587 -0.177384091 -0.384022888 1 ACH O1 1593 0.225765948 -0.097014157 -0.401700777 1 ACH O2 1594 0.481646419 -0.288544212 0.048784302 1 ACH H2 1595 1.239430687 0.089567743 -2.497360871 1 ACH C1 1596 0.049989795 0.132357418 0.351232910 1 ACH C2 1597 -0.015842703 0.365015602 0.114183489 1 ACH O1 1598 0.229475592 0.052507730 0.165327866 1 ACH O2 1599 0.107770885 -0.348749026 0.432321423 1 ACH H2 1600 0.224442148 0.048067184 -2.193691620 1 ACH C1 1601 0.268221815 0.213102165 -0.734623454 1 ACH C2 1602 -0.060039556 0.288596579 0.473240430 1 ACH O1 1603 -0.243579268 0.658882925 0.748283526 1 ACH O2 1604 -0.128712706 0.156670249 0.169307972 1 ACH H2 1605 -1.673432894 0.879949019 -0.141754263 1 ACH C1 1606 0.234603050 -0.179798629 -0.180442695 1 ACH C2 1607 0.553429854 0.137028677 -0.454314129 1 ACH O1 1608 0.307099214 0.109618149 -0.472837576 1 ACH O2 1609 0.462586137 0.149466449 -0.471372020 1 ACH H2 1610 2.632852626 -1.836833820 -1.086463239 1 ACH C1 1611 0.181603741 -0.266873251 -0.342180982 1 ACH C2 1612 0.367449553 0.028909300 -0.079183825 1 ACH O1 1613 0.177626208 -0.192126900 -0.038485645 1 ACH O2 1614 0.041722599 0.055373889 -0.309890454 1 ACH H2 1615 1.719691180 0.588783341 -1.599885758 1 ACH C1 1616 0.132480256 0.268986177 0.205955353 1 ACH C2 1617 -0.027459091 0.155584532 0.479761458 1 ACH O1 1618 -0.115839982 0.688813095 -0.545591423 1 ACH O2 1619 -0.158663721 0.124495394 -0.090600514 1 ACH H2 1620 0.100767231 -0.514624486 -0.405898573 1 ACH C1 1621 0.158162894 0.254637179 -0.206680088 1 ACH C2 1622 0.139352917 0.015319172 -0.284359063 1 ACH O1 1623 -0.041536183 -0.321140431 -0.243298809 1 ACH O2 1624 -0.102751886 0.271808282 0.023245776 1 ACH H2 1625 0.053917979 2.843121097 -0.048836282 1 ACH C1 1626 -0.089179939 0.621817278 0.215412786 1 ACH C2 1627 0.566675015 0.634418809 -0.104898899 1 ACH O1 1628 0.101279179 -0.219628789 0.338826115 1 ACH O2 1629 -0.431924266 -0.267321218 -0.964646060 1 ACH H2 1630 1.728955946 0.231836448 -0.361045305 1 ACH C1 1631 -0.093170891 -0.020533372 0.215936958 1 ACH C2 1632 -0.044076789 0.009427642 0.147799093 1 ACH O1 1633 -0.294193631 0.287234364 0.430747243 1 ACH O2 1634 -0.254878331 0.299405664 0.099871137 1 ACH H2 1635 0.793952739 -0.762591821 -0.973127814 1 ACH C1 1636 0.078522848 0.287733224 0.432579570 1 ACH C2 1637 0.082500942 -0.452807064 -0.376834158 1 ACH O1 1638 -0.082068532 -0.842196031 -0.710790962 1 ACH O2 1639 0.246285400 -0.147318808 -0.026124752 1 ACH H2 1640 0.536838220 -1.414200658 -1.446596241 1 ACH C1 1641 -0.058888976 0.323435296 -0.187047352 1 ACH C2 1642 0.046698105 0.052841264 0.202130367 1 ACH O1 1643 0.054912100 0.076365135 0.387072565 1 ACH O2 1644 -0.774772230 0.156098587 0.289980064 1 ACH H2 1645 -0.217891242 2.340211735 -0.926513439 1 ACH C1 1646 0.117686345 -0.068929156 -0.303000274 1 ACH C2 1647 0.251243678 -0.312489936 -0.015051965 1 ACH O1 1648 -0.375471862 0.605715259 -0.011875139 1 ACH O2 1649 -0.129526585 -0.012456713 -0.062980532 1 ACH H2 1650 0.683818509 1.654288297 -0.849325063 1 ACH C1 1651 0.236406322 -0.026513561 -0.311329411 1 ACH C2 1652 0.897106406 0.032456143 0.112611739 1 ACH O1 1653 0.526212908 -0.241017486 0.165418751 1 ACH O2 1654 0.124668860 -0.083368662 -0.225328900 1 ACH H2 1655 1.992076047 0.175670604 -0.870656761 1 ACH C1 1656 0.363766390 0.157839869 0.263427227 1 ACH C2 1657 0.249873266 -0.122179730 -0.264673704 1 ACH O1 1658 0.259779555 0.276250988 0.005782314 1 ACH O2 1659 0.184990723 0.568613106 0.358745984 1 ACH H2 1660 0.592652972 1.229852805 -1.468258869 1 ACH C1 1661 0.042289049 0.073183088 -0.457664668 1 ACH C2 1662 -0.143567916 0.370543103 -0.151145820 1 ACH O1 1663 0.551955649 -0.382814426 -0.009974274 1 ACH O2 1664 -0.147355409 -0.254740423 -0.310942412 1 ACH H2 1665 -0.205606400 -0.868425910 -1.915751167 1 ACH C1 1666 -0.133917473 -0.295671370 0.386757750 1 ACH C2 1667 0.565506147 0.098747773 0.440557050 1 ACH O1 1668 -0.277131885 0.171754135 -0.436923908 1 ACH O2 1669 -0.203156434 0.339379289 0.304768871 1 ACH H2 1670 -1.659049179 -0.926943426 0.284957303 1 ACH C1 1671 -0.103596577 0.530144655 0.679679399 1 ACH C2 1672 0.261312521 0.080343528 -0.103741360 1 ACH O1 1673 0.058141542 0.207176600 0.126119864 1 ACH O2 1674 0.048751022 -0.162318433 0.020198202 1 ACH H2 1675 -2.019072082 0.219236624 0.225086670 1 ACH C1 1676 0.532031870 -0.237149430 0.046258273 1 ACH C2 1677 -0.014498284 -0.274345323 -0.362998106 1 ACH O1 1678 -0.178971263 -0.143413756 -0.084144672 1 ACH O2 1679 0.691735638 -0.628645058 0.580785240 1 ACH H2 1680 0.918828652 -0.578818202 1.052887041 1 ACH C1 1681 0.587976441 -0.137838746 0.533317073 1 ACH C2 1682 -0.329700069 -0.099134843 -0.051546791 1 ACH O1 1683 -0.264005314 0.263873046 -0.031333032 1 ACH O2 1684 -0.309778471 -0.035681545 -0.635432242 1 ACH H2 1685 -0.493872635 1.509140237 0.081778593 1 ACH C1 1686 0.013285442 -0.168102906 0.655743455 1 ACH C2 1687 0.217594865 0.007757783 0.475433207 1 ACH O1 1688 -0.013253501 0.420487898 0.424731912 1 ACH O2 1689 0.502926404 -0.233133503 -0.091852157 1 ACH H2 1690 1.853945343 -0.070760652 0.028850604 1 ACH C1 1691 0.168940612 0.175583323 0.433839328 1 ACH C2 1692 -0.357765481 -0.353345621 0.132719394 1 ACH O1 1693 -0.345056011 0.015406729 0.220933627 1 ACH O2 1694 0.057888728 -0.734771753 -0.299515866 1 ACH H2 1695 2.051208017 1.111541680 -0.177506706 1 ACH C1 1696 0.063115135 -0.280439375 0.647132685 1 ACH C2 1697 -0.250621077 -0.696272132 -0.565248037 1 ACH O1 1698 0.337478041 -0.370139857 0.347684669 1 ACH O2 1699 -0.191255381 -0.271728146 -0.152327326 1 ACH H2 1700 -1.377511381 -2.383607208 -0.089805281 1 ACH C1 1701 -0.188301969 -0.290877480 0.185279851 1 ACH C2 1702 -0.106052348 -0.509503220 0.379562193 1 ACH O1 1703 0.214489054 -0.362518140 0.277105151 1 ACH O2 1704 -0.055002532 -0.080337788 0.058683462 1 ACH H2 1705 0.102195806 0.549878027 0.238185467 1 ACH C1 1706 0.253963677 0.495613672 0.352243497 1 ACH C2 1707 -0.104491865 0.482913359 -0.201668100 1 ACH O1 1708 0.396619713 -0.071349744 -0.160114798 1 ACH O2 1709 -0.133475579 0.283626093 0.060439319 1 ACH H2 1710 0.076160846 0.407651509 0.626736909 1 ACH C1 1711 0.099696505 -0.038321043 0.923442293 1 ACH C2 1712 0.246651382 -0.257040816 -0.274778569 1 ACH O1 1713 -0.172695831 -0.553208192 0.090924955 1 ACH O2 1714 0.199824988 -0.245523923 -0.276811104 1 ACH H2 1715 -2.315684230 -0.318978766 1.614190059 1 ACH C1 1716 0.549252753 0.088447709 -0.108255278 1 ACH C2 1717 -0.412027163 -0.104055054 -0.562094181 1 ACH O1 1718 -0.428596082 0.275217670 -0.129980948 1 ACH O2 1719 0.614857568 -0.019070218 0.017479035 1 ACH H2 1720 1.184060297 -0.919877639 0.258795060 1 ACH C1 1721 -0.701664310 -0.453426047 0.265093039 1 ACH C2 1722 0.020282629 -0.389818000 0.574711652 1 ACH O1 1723 0.153219106 -0.474269815 0.314366151 1 ACH O2 1724 -0.178114315 -0.282371069 -0.146847600 1 ACH H2 1725 -1.833461424 1.189171834 -0.056167526 1 ACH C1 1726 -0.596668265 -0.311945122 -0.327718198 1 ACH C2 1727 0.032284781 0.041842094 0.001838054 1 ACH O1 1728 -0.236925915 0.730979731 -0.360034800 1 ACH O2 1729 -0.108892622 -0.156980602 0.089973591 1 ACH H2 1730 -4.471686787 -1.845815171 -3.153349763 1 ACH C1 1731 0.025968751 0.289318062 -0.013499017 1 ACH C2 1732 0.113215876 -0.206343931 -0.150789737 1 ACH O1 1733 -0.042722199 -0.450532272 -0.194967365 1 ACH O2 1734 -0.219614431 0.158862239 -0.020176430 1 ACH H2 1735 -0.436048101 -1.740581663 0.200369217 1 ACH C1 1736 -0.242541685 0.148503250 -0.075869360 1 ACH C2 1737 -0.328792389 0.837986313 -0.184880528 1 ACH O1 1738 0.457543325 0.057702075 0.278590503 1 ACH O2 1739 -0.319279481 -0.363113734 0.357338797 1 ACH H2 1740 -0.517236446 -1.282428942 -0.159611130 1 ACH C1 1741 0.602021619 -0.284714083 0.154811279 1 ACH C2 1742 0.722256498 -0.119692542 0.061414111 1 ACH O1 1743 0.543107678 -0.155132837 -0.487405529 1 ACH O2 1744 0.227897525 -0.452506074 -0.102730761 1 ACH H2 1745 0.431198190 -2.228264804 -1.619184539 1 ACH C1 1746 0.031448542 0.423773456 -0.323568881 1 ACH C2 1747 1.075077735 -0.257380630 -0.440313656 1 ACH O1 1748 0.602315909 0.125592069 0.180947830 1 ACH O2 1749 0.231284217 -0.257407286 0.109705214 1 ACH H2 1750 -1.080985516 0.280941511 -0.894593839 1 ACH C1 1751 0.049915837 0.638600001 -0.240546651 1 ACH C2 1752 0.096321428 -0.180361038 0.890616434 1 ACH O1 1753 0.599659973 0.296483277 -0.068240935 1 ACH O2 1754 -0.015222334 -0.045612474 0.032826579 1 ACH H2 1755 0.396043269 2.254871314 -2.289051304 1 ACH C1 1756 0.118723088 -0.212874440 0.241710044 1 ACH C2 1757 0.957883537 0.337782820 0.417114386 1 ACH O1 1758 -0.239898027 0.408867594 0.397201226 1 ACH O2 1759 -0.179990391 0.214009394 0.129155610 1 ACH H2 1760 0.722775689 0.217725926 -0.191119558 1 ACH C1 1761 -0.135053060 -0.234934290 -0.259021561 1 ACH C2 1762 0.082584823 0.070212452 -0.178560503 1 ACH O1 1763 0.510952188 -0.060939322 -0.284244070 1 ACH O2 1764 -0.068811739 0.486678866 0.528721815 1 ACH H2 1765 1.451405426 -0.108726393 1.167019506 1 ACH C1 1766 0.303720428 -0.113698221 0.197497019 1 ACH C2 1767 0.253809136 -0.217160507 0.447219410 1 ACH O1 1768 0.264174995 -0.328775593 0.634481760 1 ACH O2 1769 0.394353888 0.081499292 0.090841386 1 ACH H2 1770 -0.069610907 1.838080671 0.535105496 1 ACH C1 1771 -0.076680990 -0.008331542 -0.182997284 1 ACH C2 1772 -0.537716687 -0.008533556 -0.664434562 1 ACH O1 1773 0.170190167 0.643817904 -0.206671244 1 ACH O2 1774 0.258413163 -0.241610719 0.061355302 1 ACH H2 1775 2.018978262 -0.196673378 1.712971312 1 ACH C1 1776 0.117048421 -0.032090667 -0.249129619 1 ACH C2 1777 -0.174017880 -0.323627199 -0.295246884 1 ACH O1 1778 -0.275204330 0.183604210 0.744931397 1 ACH O2 1779 -0.197884496 -0.523978819 -0.128468787 1 ACH H2 1780 1.446509513 0.456035531 0.644449534 1 ACH C1 1781 0.016207081 -0.832377594 -0.085056633 1 ACH C2 1782 0.325153923 0.205484240 -0.128480018 1 ACH O1 1783 0.245211045 1.050150871 -0.032810402 1 ACH O2 1784 -0.367663194 -0.239223609 0.339884868 1 ACH H2 1785 -2.176306950 -2.330925282 -1.544240302 1 ACH C1 1786 -0.451460920 0.180607263 -0.047380044 1 ACH C2 1787 -0.016015719 0.090791679 -0.331952528 1 ACH O1 1788 -0.314881160 -0.401808964 -0.278306498 1 ACH O2 1789 -0.237773739 -0.638434167 0.052654394 1 ACH H2 1790 -1.677285858 -0.927902192 1.098335901 1 ACH C1 1791 0.222590288 -0.482122031 0.260022056 1 ACH C2 1792 -0.081724359 0.241990275 -0.045924833 1 ACH O1 1793 0.100835361 0.214640545 0.017225909 1 ACH O2 1794 -0.001598417 -0.312876742 -0.518958947 1 ACH H2 1795 1.714860649 -2.012610082 0.985063372 1 ACH C1 1796 -0.221187273 -0.069123763 0.425092084 1 ACH C2 1797 0.200534115 0.721733068 0.109937812 1 ACH O1 1798 0.014699947 0.397037095 -0.156476652 1 ACH O2 1799 -0.107590333 -0.171245429 0.172059924 1 ACH H2 1800 -1.461632558 -1.193015286 -0.464968216 1 ACH C1 1801 0.135303108 -0.363474082 -0.465298882 1 ACH C2 1802 0.038494692 0.475530450 -0.229307872 1 ACH O1 1803 0.266230259 -0.247377745 -0.176221742 1 ACH O2 1804 -0.313872542 -0.202773176 -0.190564183 1 ACH H2 1805 -0.128275683 1.016327157 1.232734554 1 ACH C1 1806 0.457101017 -0.696984965 0.266674435 1 ACH C2 1807 -0.123884603 0.251817308 0.395870940 1 ACH O1 1808 0.201786068 0.413532606 0.465223843 1 ACH O2 1809 0.570716177 -0.511028854 0.124524020 1 ACH H2 1810 1.295963699 -0.231846158 1.228086517 1 ACH C1 1811 0.034873927 0.702019982 0.827817577 1 ACH C2 1812 -0.224679794 0.130697256 -0.084681033 1 ACH O1 1813 -0.108889815 0.096801730 -0.465316665 1 ACH O2 1814 -0.001258245 0.164472231 0.070222507 1 ACH H2 1815 -0.545187239 0.590799278 -1.914854859 1 ACH C1 1816 -0.034863124 -0.224631098 -0.014205024 1 ACH C2 1817 -0.391345585 0.293864723 0.386659887 1 ACH O1 1818 -0.570224562 -0.239998134 0.375861581 1 ACH O2 1819 -0.342748032 0.401651218 0.058289829 1 ACH H2 1820 0.552946417 -1.839813601 -0.993188429 1 ACH C1 1821 0.147112212 0.423770044 0.222437913 1 ACH C2 1822 0.563667053 -0.115898552 -0.240702461 1 ACH O1 1823 0.167110710 0.300102662 -0.079903463 1 ACH O2 1824 0.310034271 -0.516376704 -0.428294366 1 ACH H2 1825 -0.087796065 1.983648371 -0.916867256 1 ACH C1 1826 0.082137784 -0.122938809 0.207994444 1 ACH C2 1827 0.245133071 -0.023605354 0.256981825 1 ACH O1 1828 -0.318235251 0.095839237 -0.253036872 1 ACH O2 1829 -0.309951207 -0.506741399 -0.725671292 1 ACH H2 1830 1.236952248 -1.877526661 -0.016057684 1 ACH C1 1831 -0.052099266 -0.202786880 0.094565643 1 ACH C2 1832 0.999023276 0.335097773 -0.022230284 1 ACH O1 1833 0.255343158 -0.084929931 -0.599089801 1 ACH O2 1834 -0.418637946 0.360509389 -0.102362596 1 ACH H2 1835 2.433424898 1.060445270 -0.909510341 1 ACH C1 1836 -0.187633312 0.560354087 0.129028138 1 ACH C2 1837 0.035656130 0.144069943 -0.125849544 1 ACH O1 1838 -0.045355699 -0.078645515 0.908390080 1 ACH O2 1839 -0.043395961 0.235138626 -0.165789465 1 ACH H2 1840 -0.398488330 0.494136930 -0.022934432 1 ACH C1 1841 -0.008894198 -0.065359271 0.095815793 1 ACH C2 1842 0.174865834 0.857724872 0.760532024 1 ACH O1 1843 -0.026769711 -0.445760749 -0.327340125 1 ACH O2 1844 -0.126253926 -0.646359539 0.195948300 1 ACH H2 1845 2.769495619 0.518638982 3.523291157 1 ACH C1 1846 -0.755821304 -0.079354328 0.369204988 1 ACH C2 1847 -0.261048841 0.471883538 0.048340193 1 ACH O1 1848 0.072596353 -0.217117584 -0.127729518 1 ACH O2 1849 0.443444181 0.319913620 0.480563073 1 ACH H2 1850 -1.726335827 -2.564243621 -0.757736591 1 ACH C1 1851 -0.113643288 -0.021625447 0.084076890 1 ACH C2 1852 -0.783860845 -0.324990436 -0.045774617 1 ACH O1 1853 -0.062602146 -0.200830256 0.479819033 1 ACH O2 1854 0.029271452 0.824333233 -0.068143882 1 ACH H2 1855 0.216488265 1.856232050 1.350199738 1 ACH C1 1856 0.392195395 -0.287931465 -0.458485924 1 ACH C2 1857 0.025748737 -0.874014181 -0.059562976 1 ACH O1 1858 0.364319694 0.353336232 -0.016997827 1 ACH O2 1859 -0.026671860 -0.658994995 -0.165982978 1 ACH H2 1860 -0.278834173 -2.476393404 1.232088785 1 ACH C1 1861 0.334391694 -0.422715433 0.256884989 1 ACH C2 1862 0.439552468 0.041066525 0.128588134 1 ACH O1 1863 -0.357329767 0.329375666 -0.712890072 1 ACH O2 1864 0.308981523 -0.394623575 -0.332858481 1 ACH H2 1865 -1.373345380 -0.068133523 -0.802457529 1 ACH C1 1866 -0.002521663 -0.049291898 0.158950776 1 ACH C2 1867 -0.153679446 -0.081470371 -0.238971970 1 ACH O1 1868 -0.206675131 0.212212043 -0.015479904 1 ACH O2 1869 0.132492531 -0.331516741 -0.049959022 1 ACH H2 1870 -0.282533406 -0.484074106 -0.361576617 1 ACH C1 1871 0.498242179 -0.235162543 -0.631422403 1 ACH C2 1872 0.254198734 0.169682690 -0.101333301 1 ACH O1 1873 0.055154539 -0.028953766 0.215112317 1 ACH O2 1874 -0.077988610 0.738511873 -0.434004440 1 ACH H2 1875 0.498336119 0.494349814 -0.257968330 1 ACH C1 1876 -0.147741136 -0.209339863 0.373516529 1 ACH C2 1877 -0.045207103 -0.002050427 0.349821651 1 ACH O1 1878 0.541984133 -0.271487610 0.074673417 1 ACH O2 1879 -0.241125110 0.315688507 0.286520169 1 ACH H2 1880 -0.736920419 -0.620519134 -0.098158784 1 ACH C1 1881 0.516309674 -0.081003581 -0.453950999 1 ACH C2 1882 0.333713491 0.185147785 -0.792091804 1 ACH O1 1883 -0.096717226 -0.740975590 -0.435305116 1 ACH O2 1884 0.024124442 -0.450156651 -0.351804901 1 ACH H2 1885 0.483309951 -0.790672091 1.235524801 1 ACH C1 1886 -0.015163383 0.036290728 0.088075054 1 ACH C2 1887 -0.709623302 0.682963948 -0.230768011 1 ACH O1 1888 -0.069593974 0.246373010 0.170891189 1 ACH O2 1889 -0.261850174 0.712030560 0.274727411 1 ACH H2 1890 1.197856231 1.423358972 -1.619855472 1 ACH C1 1891 0.138536343 -0.300514371 0.457377444 1 ACH C2 1892 0.135801693 0.117235264 -0.020495111 1 ACH O1 1893 -0.160805629 -0.579704199 -0.446681716 1 ACH O2 1894 -0.357931277 0.341130665 -0.245720104 1 ACH H2 1895 -0.531320595 -0.372909447 0.033210328 1 ACH C1 1896 -0.065191915 -0.073355066 -0.674359170 1 ACH C2 1897 -0.000555229 0.439327432 -0.367028744 1 ACH O1 1898 -0.414253970 -0.001740662 -0.573987634 1 ACH O2 1899 0.183871447 0.234856488 0.088888190 1 ACH H2 1900 -0.021529685 -1.754273842 -1.222953526 1 ACH C1 1901 -0.253631255 0.310517921 -0.729786415 1 ACH C2 1902 -0.083441063 -0.172892276 -0.396168346 1 ACH O1 1903 -0.472218800 -0.104511588 -0.056929653 1 ACH O2 1904 -0.252545258 -0.536452618 -0.652137197 1 ACH H2 1905 -1.388956546 1.331523046 1.136574744 1 ACH C1 1906 -0.175031447 -0.247796629 0.024789021 1 ACH C2 1907 -0.397942899 -0.078281033 -0.375884042 1 ACH O1 1908 0.351303149 -0.144320318 0.171656905 1 ACH O2 1909 -0.176981159 -0.104361613 -0.664687981 1 ACH H2 1910 -0.481777185 0.531473254 -1.143573566 1 ACH C1 1911 -0.208879902 0.547446083 -0.129430118 1 ACH C2 1912 0.125133186 0.159770200 -0.193872858 1 ACH O1 1913 0.119355451 0.287480392 -0.361097251 1 ACH O2 1914 -0.567834530 0.279437133 -0.655660538 1 ACH H2 1915 -0.667642592 -0.395455413 -1.183838259 1 ACH C1 1916 -0.489550619 -0.007496064 0.035763064 1 ACH C2 1917 -0.159426711 -0.592397832 -0.109835817 1 ACH O1 1918 0.008593318 0.527452770 -0.480218972 1 ACH O2 1919 0.414834777 -0.404997369 -0.139709167 1 ACH H2 1920 1.119508040 -2.331352129 -0.478963274 1 ACH C1 1921 -0.614872404 -0.063221212 -0.016686604 1 ACH C2 1922 0.079443999 0.123130326 -0.136386712 1 ACH O1 1923 0.079791130 -0.559119129 0.300090026 1 ACH O2 1924 -0.221121300 0.569469335 0.069339588 1 ACH H2 1925 -2.073082688 -0.165443573 1.544499824 1 ACH C1 1926 0.023753820 0.221663152 0.233030618 1 ACH C2 1927 -0.304024890 -0.099085961 -0.156063728 1 ACH O1 1928 -0.258705595 -0.050272197 -0.250660903 1 ACH O2 1929 -0.275309614 0.602318698 0.673617256 1 ACH H2 1930 0.083297538 -1.532849705 -1.368123539 1 ACH C1 1931 0.082170245 0.189642362 -0.457066196 1 ACH C2 1932 0.187690961 0.072884546 -0.402802980 1 ACH O1 1933 -0.044080651 0.211277728 -0.240968781 1 ACH O2 1934 -0.290804493 0.895643167 -0.190977987 1 ACH H2 1935 0.989710094 -1.443175005 -1.430744350 1 ACH C1 1936 0.452610660 0.706766987 0.041961483 1 ACH C2 1937 -0.478747469 -0.649358864 0.501891706 1 ACH O1 1938 -0.352836806 -0.235921094 -0.184660613 1 ACH O2 1939 -0.432797625 -0.340333836 0.285207104 1 ACH H2 1940 -0.699503786 -0.489269536 0.664246941 1 ACH C1 1941 -0.074479810 -0.549710323 0.205155866 1 ACH C2 1942 -0.041391632 -0.600788826 0.321366699 1 ACH O1 1943 -0.333639478 0.039375467 -0.028547669 1 ACH O2 1944 -0.445132445 -0.007521004 0.240940851 1 ACH H2 1945 0.401030245 0.489482136 -0.513287731 1 ACH C1 1946 -0.219739606 0.089121639 -0.017851017 1 ACH C2 1947 -0.040176728 -0.002848011 0.045175428 1 ACH O1 1948 0.492236512 0.254384143 0.188298916 1 ACH O2 1949 -0.047062562 0.048537169 -0.411144543 1 ACH H2 1950 -0.576552488 0.512287322 -0.513977430 1 ACH C1 1951 0.123966646 0.260961345 -0.395123961 1 ACH C2 1952 0.396819394 1.037863454 -0.806245946 1 ACH O1 1953 -0.155875359 -0.271528836 0.734649154 1 ACH O2 1954 0.241389400 -0.135993993 -0.124599938 1 ACH H2 1955 -2.171317665 -0.896453723 -0.152323389 1 ACH C1 1956 0.430554548 0.155058838 0.182642035 1 ACH C2 1957 -0.128563350 0.006855918 0.387019869 1 ACH O1 1958 0.223822686 -0.584374653 -0.195108086 1 ACH O2 1959 0.181259270 0.229839058 0.187731577 1 ACH H2 1960 -4.516156825 3.568468802 0.403401441 1 ACH C1 1961 -0.353630122 0.125303994 0.669827864 1 ACH C2 1962 -0.560697289 0.028631402 -0.229006611 1 ACH O1 1963 -0.345974378 0.241488876 0.058098468 1 ACH O2 1964 0.850606911 -0.068949448 -0.016259288 1 ACH H2 1965 0.093436896 -1.144994544 0.724643883 1 ACH C1 1966 -0.017179882 0.091184943 0.441283250 1 ACH C2 1967 -0.250178277 -0.512750751 0.575746620 1 ACH O1 1968 -0.133883776 -0.465561305 0.792893971 1 ACH O2 1969 0.123067932 -0.432952580 0.080884391 1 ACH H2 1970 -0.260023954 -2.006210924 0.096123218 1 ACH C1 1971 -0.226708845 0.031881753 -0.323608726 1 ACH C2 1972 -0.469743201 0.270350435 -0.380050640 1 ACH O1 1973 0.110482759 0.296696609 0.011701173 1 ACH O2 1974 0.093562834 0.164484437 0.238682351 1 ACH H2 1975 -0.678299439 2.085205695 0.901839132 1 ACH C1 1976 -0.024641164 0.641061426 -0.270790483 1 ACH C2 1977 0.217601384 0.424400973 0.046258331 1 ACH O1 1978 -0.010781409 -0.394349499 0.259827326 1 ACH O2 1979 0.248578524 0.134633841 0.027788692 1 ACH H2 1980 -2.084215578 -2.527529807 0.122220090 1 ACH C1 1981 0.347897856 0.288279850 0.166921700 1 ACH C2 1982 -0.132243009 0.631451884 -0.294926375 1 ACH O1 1983 0.121320386 0.169789852 -0.594412602 1 ACH O2 1984 -0.247032709 0.183068167 -0.074943010 1 ACH H2 1985 1.481960616 0.800765872 2.682297426 1 ACH C1 1986 -0.337078226 -0.252359593 -0.332184284 1 ACH C2 1987 0.044850322 -0.427418735 -0.102345473 1 ACH O1 1988 0.179047625 0.430570342 -0.112657965 1 ACH O2 1989 -0.416916624 -0.681171108 -0.133281015 1 ACH H2 1990 2.180720064 -2.462659085 1.215315665 1 ACH C1 1991 -0.350080718 -0.265192766 -0.101779385 1 ACH C2 1992 -0.259801468 -0.190590547 0.116544488 1 ACH O1 1993 -0.081344294 0.475949281 0.362337828 1 ACH O2 1994 -0.379260142 0.104458398 -0.134694683 1 ACH H2 1995 0.793555518 -1.166036920 -2.768131245 1 ACH C1 1996 0.550669429 -0.167358351 -0.046590096 1 ACH C2 1997 0.415289682 -0.091990875 0.042990106 1 ACH O1 1998 0.007037487 -0.306019387 0.039572035 1 ACH O2 1999 0.018413577 -0.121830930 -0.604860318 1 ACH H2 2000 -0.507347473 -0.049555018 -0.183079216 1 ACH C1 2001 0.010034121 -0.349274692 0.048410596 1 ACH C2 2002 -0.001387444 -0.409764787 -0.186541172 1 ACH O1 2003 -0.257950364 0.445808583 0.407810943 1 ACH O2 2004 0.276884075 0.066518703 0.304564662 1 ACH H2 2005 -0.448623962 0.358778267 1.291335856 1 ACH C1 2006 0.394597119 -0.253528321 -0.305429794 1 ACH C2 2007 -0.017372079 -0.414902894 0.483049941 1 ACH O1 2008 -0.158167393 -0.166810983 -0.004689627 1 ACH O2 2009 0.063323307 0.723715666 -0.038501445 1 ACH H2 2010 -0.097289867 0.616329525 -0.099804681 1 ACH C1 2011 0.710841959 -0.549037676 -0.763789200 1 ACH C2 2012 0.482756985 0.550883648 1.058385502 1 ACH O1 2013 0.172596985 -0.839770870 -0.121544435 1 ACH O2 2014 0.131386900 0.286769265 0.565014565 1 ACH H2 2015 -1.972014440 2.818595501 2.737712686 1 ACH C1 2016 -0.092311003 0.216044568 -0.105340619 1 ACH C2 2017 -0.052724703 0.303951730 -0.170759029 1 ACH O1 2018 0.105036631 -0.148996213 -0.569086143 1 ACH O2 2019 -1.063944622 0.409374952 0.192104624 1 ACH H2 2020 -1.371189453 -0.076119788 0.194764589 1 ACH C1 2021 0.122445576 -0.171695306 0.159822136 1 ACH C2 2022 0.247831617 0.124493135 0.108145742 1 ACH O1 2023 -0.305243605 0.520228806 0.267769024 1 ACH O2 2024 -0.162683138 0.342750490 -0.353042757 1 ACH H2 2025 0.388562735 2.028486331 0.174072554 1 ACH C1 2026 0.653130872 -0.348009150 0.317878089 1 ACH C2 2027 0.079214383 -0.308491331 -0.197609538 1 ACH O1 2028 -0.691857645 0.476869283 0.401050551 1 ACH O2 2029 0.524151056 0.409335461 0.223665398 1 ACH H2 2030 -1.656813272 0.894335077 -0.269502285 1 ACH C1 2031 0.495270407 0.378503700 0.170908708 1 ACH C2 2032 -0.789460955 -0.255226300 -0.443023775 1 ACH O1 2033 0.097629281 0.590898296 -0.177268737 1 ACH O2 2034 -0.519251130 -0.589266775 0.551832724 1 ACH H2 2035 0.267388325 1.489212380 1.320064513 1 ACH C1 2036 -0.124969460 0.256730262 0.675990648 1 ACH C2 2037 -0.034457487 0.360945916 0.139277918 1 ACH O1 2038 -0.165695958 0.350941548 0.217078489 1 ACH O2 2039 -0.360007886 -0.259626962 -1.129291600 1 ACH H2 2040 -1.143639614 0.316325851 3.300440776 1 ACH C1 2041 0.119986611 -0.154299724 0.132671402 1 ACH C2 2042 0.157849072 -0.203225157 -0.088839595 1 ACH O1 2043 -0.087182989 0.540010907 0.498227952 1 ACH O2 2044 -0.604505237 -0.254944856 0.166993742 1 ACH H2 2045 -2.014279184 2.423511263 -2.136035694 1 ACH C1 2046 0.490152921 0.329471575 0.101122950 1 ACH C2 2047 0.030366595 0.386721650 0.051037166 1 ACH O1 2048 -0.176257704 -0.217398404 0.308208027 1 ACH O2 2049 -0.317107415 0.208780393 0.300419792 1 ACH H2 2050 1.682238755 -0.099110030 0.876522230 1 ACH C1 2051 0.308277923 -0.064868074 0.108080528 1 ACH C2 2052 0.266968723 -0.404297829 0.298862876 1 ACH O1 2053 0.576081314 -0.226147771 0.453228601 1 ACH O2 2054 -0.588897820 -0.671900001 -0.225867405 1 ACH H2 2055 1.548344857 0.028682463 1.573687363 1 ACH C1 2056 0.467843319 -0.557038463 -0.244784026 1 ACH C2 2057 -0.086808525 -0.392768788 -0.467309828 1 ACH O1 2058 0.034133293 -0.343990146 0.220680604 1 ACH O2 2059 -0.103808967 0.013264084 -0.371905842 1 ACH H2 2060 -1.917154940 0.667036307 -0.509880597 1 ACH C1 2061 0.528828362 0.742820597 0.106887065 1 ACH C2 2062 0.748482760 -0.462921847 -0.014666129 1 ACH O1 2063 0.225293719 0.392981529 -0.459139556 1 ACH O2 2064 0.063031223 0.044450606 0.083457751 1 ACH H2 2065 0.156046031 -0.049004358 -0.575395568 1 ACH C1 2066 0.235785253 0.140733453 -0.245618104 1 ACH C2 2067 0.214104039 0.174310528 -0.071903216 1 ACH O1 2068 -0.221088924 0.415185449 0.266185945 1 ACH O2 2069 -0.257891068 0.705989423 -0.067092054 1 ACH H2 2070 -2.031483473 1.165643561 0.264859583 1 ACH C1 2071 0.179155315 0.572658671 0.159340241 1 ACH C2 2072 -0.043876050 0.254452480 -0.507718033 1 ACH O1 2073 0.030138025 0.073890451 -0.186546164 1 ACH O2 2074 0.472497166 0.517815037 0.061066008 1 ACH H2 2075 3.542197486 1.276488493 3.173384385 1 ACH C1 2076 0.049773363 -0.338211324 -0.156976685 1 ACH C2 2077 -0.143595346 -0.010098465 0.334256385 1 ACH O1 2078 0.151317055 0.087746084 -0.770481408 1 ACH O2 2079 0.330605051 0.208656582 -0.085710999 1 ACH H2 2080 -0.291593052 0.512987129 -1.153081542 1 ACH C1 2081 -0.413500932 0.613611714 -1.077328359 1 ACH C2 2082 0.351911921 -0.170249444 -0.254292974 1 ACH O1 2083 0.330163408 0.245784143 -0.818668696 1 ACH O2 2084 0.413931106 0.056097269 0.468007057 1 ACH H2 2085 1.171115210 -1.076910069 0.034117355 1 ACH C1 2086 -0.198899020 0.846390910 0.338949001 1 ACH C2 2087 0.107119005 0.174162525 -0.016439472 1 ACH O1 2088 -0.774354592 -0.127391060 0.017828902 1 ACH O2 2089 0.171910065 0.214910388 -0.427156434 1 ACH H2 2090 -1.003471327 -2.130915326 -1.150110289 1 ACH C1 2091 0.232158923 -0.734976875 -0.221952289 1 ACH C2 2092 0.485505005 0.291688626 0.255614880 1 ACH O1 2093 0.345520833 0.251945103 -0.090843196 1 ACH O2 2094 -0.451909390 -0.256208654 0.298241079 1 ACH H2 2095 0.103742446 2.333393963 1.833361704 1 ACH C1 2096 0.216797042 0.012785782 -0.247990146 1 ACH C2 2097 0.193041017 0.013296373 -0.211793240 1 ACH O1 2098 -0.060754889 0.049231403 -0.009845936 1 ACH O2 2099 -0.239397734 0.773259261 0.411590618 1 ACH H2 2100 -0.779200917 -2.212478994 0.107527376 1 ACH C1 2101 0.732003185 0.125978561 0.371231208 1 ACH C2 2102 -0.015472192 0.011975830 0.182873516 1 ACH O1 2103 0.355106160 0.033505269 0.066372824 1 ACH O2 2104 0.324089449 -0.655813114 0.422356021 1 ACH H2 2105 -0.780115579 -1.292674718 -0.705686579 1 ACH C1 2106 -0.116070341 0.482496714 -0.236277035 1 ACH C2 2107 0.206277446 0.700199452 0.261785418 1 ACH O1 2108 -0.285045437 0.035221498 -0.320020980 1 ACH O2 2109 0.140584683 0.321614507 -0.122613071 1 ACH H2 2110 0.466655890 -1.483797440 0.968384159 1 ACH C1 2111 0.237565442 0.816978442 0.049075845 1 ACH C2 2112 -0.039407177 0.374728596 0.203273365 1 ACH O1 2113 0.087237830 0.232640717 0.120736408 1 ACH O2 2114 -0.093544444 -0.281481884 -0.000193500 1 ACH H2 2115 0.940974816 1.495579094 -0.629023428 1 ACH C1 2116 0.441030502 -0.202456188 -0.057204266 1 ACH C2 2117 0.158370191 -0.042499063 0.272243141 1 ACH O1 2118 -0.453138407 0.030235309 0.088633717 1 ACH O2 2119 -0.040239868 -0.261270701 0.691566077 1 ACH H2 2120 0.233007944 -0.715961214 -0.359442274 1 ACH C1 2121 -0.377785351 0.056748798 -0.452664609 1 ACH C2 2122 -0.362675417 -0.121442642 -0.148756080 1 ACH O1 2123 0.101831190 0.564536822 -0.197322429 1 ACH O2 2124 -0.192304267 -0.109720448 -0.024182671 1 ACH H2 2125 -0.133405662 -0.279726047 0.054486285 1 ACH C1 2126 -0.213618889 -0.041555709 0.632899686 1 ACH C2 2127 0.114859278 0.294256995 -0.052101775 1 ACH O1 2128 0.162264341 0.182783691 0.072458177 1 ACH O2 2129 0.571960978 0.446823048 -0.011699383 1 ACH H2 2130 0.617876989 -2.727176243 0.221275493 1 ACH C1 2131 0.088326636 0.122159665 0.012886694 1 ACH C2 2132 -0.054904525 0.000613260 0.028916483 1 ACH O1 2133 -0.284003307 0.542604544 -0.285544068 1 ACH O2 2134 -0.042024733 -0.128438601 -0.114363722 1 ACH H2 2135 -0.529137865 -0.157109719 -0.197916606 1 ACH C1 2136 -0.370239545 0.350719976 -0.376156210 1 ACH C2 2137 -0.348597375 -0.112759400 0.072543339 1 ACH O1 2138 -1.158884790 0.077043123 -0.025436589 1 ACH O2 2139 0.054971423 0.038082882 0.458669746 1 ACH H2 2140 -4.480428131 0.248443961 1.224452551 1 ACH C1 2141 0.645674788 0.416466768 -0.287045068 1 ACH C2 2142 0.008189685 -0.140214798 -0.302401968 1 ACH O1 2143 -0.261459252 -0.027467951 0.654022300 1 ACH O2 2144 -0.145469261 -0.108332526 -0.232980425 1 ACH H2 2145 -1.495618698 -1.300290361 -1.905495393 1 ACH C1 2146 -0.267063418 0.490957424 -0.227535972 1 ACH C2 2147 0.305204159 0.399353540 -0.303128464 1 ACH O1 2148 -0.259159264 -0.060291312 -0.405633022 1 ACH O2 2149 -0.311167703 0.116311472 -0.196353611 1 ACH H2 2150 2.389453766 -0.448933112 -1.984642489 1 ACH C1 2151 -0.402713694 0.166188126 -0.177652654 1 ACH C2 2152 -0.316831198 0.250580415 -0.136861470 1 ACH O1 2153 -0.156860000 0.729987338 -0.176220593 1 ACH O2 2154 -0.236979742 0.369090314 -0.295623221 1 ACH H2 2155 -0.541367912 -0.655863696 -1.578260551 1 ACH C1 2156 -0.434729423 -0.212626606 0.318940356 1 ACH C2 2157 0.305911832 -0.357890296 -0.101266325 1 ACH O1 2158 0.158069667 0.160208132 -0.085381916 1 ACH O2 2159 0.787332277 0.007686402 -0.038588850 1 ACH H2 2160 0.087224939 0.475587027 1.447671937 1 ACH C1 2161 -0.014387866 -0.055020507 0.243727650 1 ACH C2 2162 0.134484606 -0.171951997 -0.314796013 1 ACH O1 2163 0.015872708 -0.016543835 0.048754098 1 ACH O2 2164 0.040960677 -0.375141830 0.405652250 1 ACH H2 2165 -0.148848811 -0.205761932 1.538992829 1 ACH C1 2166 0.295679872 -0.459548406 0.236191758 1 ACH C2 2167 0.129358898 0.028309906 -0.176904759 1 ACH O1 2168 -0.102727406 0.541779325 -0.508236681 1 ACH O2 2169 -0.112207162 -0.119048653 -0.288054965 1 ACH H2 2170 0.926986407 -1.121085608 -3.128186066 1 ACH C1 2171 -0.200628946 -0.729577160 -0.400029252 1 ACH C2 2172 0.237151509 -0.655947507 -0.450207485 1 ACH O1 2173 -0.228037853 0.024109524 0.303946120 1 ACH O2 2174 0.247168497 -0.246975287 -0.513556135 1 ACH H2 2175 1.092459219 -0.108955445 0.232114076 1 ACH C1 2176 0.328518942 0.278391613 0.136576399 1 ACH C2 2177 -0.330235290 0.040661479 0.310577830 1 ACH O1 2178 -0.142335048 0.047083305 0.056450175 1 ACH O2 2179 0.293076835 -0.035032083 0.439090165 1 ACH H2 2180 0.783924290 1.010003301 -0.348120041 1 ACH C1 2181 0.144173294 -0.446506314 -0.178678773 1 ACH C2 2182 -0.566782951 0.213545646 -0.140585802 1 ACH O1 2183 -0.512426798 0.408421326 -0.303211789 1 ACH O2 2184 0.096303345 -0.306712487 -0.446199162 1 ACH H2 2185 -1.606489276 1.812924213 -2.298134478 1 ACH C1 2186 -0.428755151 -0.347080634 0.079470184 1 ACH C2 2187 -0.348012672 -0.083125078 -0.191782410 1 ACH O1 2188 -0.037775082 -0.104419358 -0.340810974 1 ACH O2 2189 0.106667403 -0.399492931 -0.130905934 1 ACH H2 2190 1.502944202 0.226427265 -0.238095989 1 ACH C1 2191 0.370489338 0.206694852 -0.401749292 1 ACH C2 2192 -0.275751189 0.559241620 -0.918068469 1 ACH O1 2193 -0.350700538 0.000509252 0.058072175 1 ACH O2 2194 0.023442157 -0.238322594 0.031903104 1 ACH H2 2195 -0.128337858 -1.274128420 0.578102786 1 ACH C1 2196 -0.678261672 0.098589910 -0.272861538 1 ACH C2 2197 0.552539754 -0.284934448 0.289480309 1 ACH O1 2198 0.466962407 -0.149042671 -0.489576095 1 ACH O2 2199 0.556496722 -0.435257174 0.257150658 1 ACH H2 2200 -0.584975812 -0.520937878 -1.427411654 1 ACH C1 2201 -0.139549963 0.430538722 0.238790507 1 ACH C2 2202 0.025626631 -0.458511229 0.103189149 1 ACH O1 2203 0.437737210 -0.473107394 -0.445575306 1 ACH O2 2204 0.448504615 -0.030746091 0.196004126 1 ACH H2 2205 -0.532467138 2.085856822 0.631270754 1 ACH C1 2206 0.360375442 -0.296329594 0.488257611 1 ACH C2 2207 -0.016256700 -0.124247580 0.177746949 1 ACH O1 2208 -0.057300764 0.086795413 -0.335324253 1 ACH O2 2209 0.014354796 0.037544165 -0.435239320 1 ACH H2 2210 -1.639046417 0.464099464 -0.393738993 1 ACH C1 2211 0.194108399 0.162747315 -0.485809985 1 ACH C2 2212 0.272004205 -0.332515117 -0.046176079 1 ACH O1 2213 0.907037158 -0.206805146 0.723614509 1 ACH O2 2214 0.526620851 0.363043742 0.322402344 1 ACH H2 2215 2.275491946 -1.398049489 0.789779816 1 ACH C1 2216 0.257107414 0.035240897 0.598710368 1 ACH C2 2217 -0.092647788 -0.088027354 -0.003127156 1 ACH O1 2218 -0.324823284 0.303311700 0.404582325 1 ACH O2 2219 -0.045077123 -0.376198749 0.170463636 1 ACH H2 2220 -0.037662863 -1.481770340 -1.406467886 1 ACH C1 2221 0.074207721 0.775559501 -0.242890055 1 ACH C2 2222 0.449606254 -0.454472120 0.073907623 1 ACH O1 2223 0.063937879 -0.121579730 0.027819486 1 ACH O2 2224 0.135231055 0.129143598 -0.351760806 1 ACH H2 2225 -2.003967542 1.809684034 -0.699711975 1 ACH C1 2226 0.093064609 0.014793636 0.053439137 1 ACH C2 2227 0.294332228 0.008843654 1.119271860 1 ACH O1 2228 0.139779825 -0.456205239 -0.151581475 1 ACH O2 2229 0.127130491 0.226584372 -0.806360555 1 ACH H2 2230 -0.223946697 -0.448639329 1.925592722 1 ACH C1 2231 0.604664664 -0.228081049 -0.335304984 1 ACH C2 2232 0.071042878 0.220568892 0.260438406 1 ACH O1 2233 0.123480812 -0.164592455 -0.263095210 1 ACH O2 2234 0.021429647 -0.151589526 0.397150831 1 ACH H2 2235 -1.076953460 0.223733090 -0.266084664 1 ACH C1 2236 -0.928921959 0.152351808 -0.026949150 1 ACH C2 2237 -0.125156080 0.157859829 -0.438236697 1 ACH O1 2238 -0.195947474 -0.301307344 0.169114536 1 ACH O2 2239 0.029688195 0.228632546 -0.206632655 1 ACH H2 2240 1.861136282 -0.778563877 -0.634587044 1 ACH C1 2241 0.161865103 -0.238398156 0.023844034 1 ACH C2 2242 0.276414587 -0.432695890 0.062961087 1 ACH O1 2243 0.175318355 -0.346885873 0.102394776 1 ACH O2 2244 -0.859504507 0.001777608 -0.838643156 1 ACH H2 2245 1.235746338 -1.396864817 -0.870471547 1 ACH C1 2246 0.111916945 0.431013501 -0.164038833 1 ACH C2 2247 0.398823230 -0.017923476 -0.067892058 1 ACH O1 2248 0.304074386 -0.464408528 -0.105415489 1 ACH O2 2249 0.303857195 0.015863855 -0.287981618 1 ACH H2 2250 0.186881996 2.104133398 -1.040585764 1 ACH C1 2251 -0.859959521 0.109060689 -0.627100661 1 ACH C2 2252 0.059045494 0.592945965 -0.343681599 1 ACH O1 2253 0.020579902 0.642701602 -0.439150414 1 ACH O2 2254 0.338600525 0.152497050 0.065383780 1 ACH H2 2255 -0.299894365 0.963493418 -0.286042347 1 ACH C1 2256 -0.526311253 -0.143203742 -0.123363692 1 ACH C2 2257 -0.610737652 -0.132966402 -0.045670323 1 ACH O1 2258 -0.469898718 -0.174541453 -0.505460926 1 ACH O2 2259 -0.580848253 -0.226070960 -0.202713968 1 ACH H2 2260 0.601598056 2.307328563 -0.149625040 1 ACH C1 2261 0.070468113 0.028146917 0.060687843 1 ACH C2 2262 0.212847234 -0.176055910 0.342846052 1 ACH O1 2263 0.033692762 0.434355325 -0.095730757 1 ACH O2 2264 0.258229734 -0.359526771 0.494032562 1 ACH H2 2265 -0.449125928 1.115043953 1.353606173 1 ACH C1 2266 0.085832572 0.152996666 -0.882261290 1 ACH C2 2267 0.369710851 -0.326227384 -0.042027944 1 ACH O1 2268 0.136060382 0.014524064 0.200623093 1 ACH O2 2269 -0.608021041 -0.492777851 -0.180327672 1 ACH H2 2270 -0.509862331 0.645104827 -1.611830913 1 ACH C1 2271 -0.213630672 0.335445414 0.713737180 1 ACH C2 2272 0.228080268 0.264629628 -0.076894338 1 ACH O1 2273 0.061447690 -0.144111690 -0.597371496 1 ACH O2 2274 -0.071952625 -0.119658627 0.141783704 1 ACH H2 2275 -0.502963823 0.281995755 0.096333605 1 ACH C1 2276 -0.164818171 -0.397397747 -0.014744133 1 ACH C2 2277 -0.321367152 -0.081882351 0.301013364 1 ACH O1 2278 -0.638862197 0.055480680 0.000298679 1 ACH O2 2279 0.110050914 -0.107058379 0.389595477 1 ACH H2 2280 0.853895830 -0.690194627 -0.482068781 1 ACH C1 2281 0.050361443 -0.258441276 0.128516979 1 ACH C2 2282 0.081469732 0.365925045 0.130788774 1 ACH O1 2283 -0.317839327 0.222587495 0.030577546 1 ACH O2 2284 0.069806757 0.355315069 0.154240715 1 ACH H2 2285 0.270803162 -0.448097850 0.142897653 1 ACH C1 2286 -0.282680848 -0.860463534 0.373882093 1 ACH C2 2287 0.162257420 0.203524403 -0.037686305 1 ACH O1 2288 -0.119463592 -0.283955035 0.009868109 1 ACH O2 2289 -0.150561333 0.172460633 0.365550475 1 ACH H2 2290 -0.166363085 -1.764075460 1.315065089 1 ACH C1 2291 -0.479748301 -0.645918557 -0.292413226 1 ACH C2 2292 -0.494912485 0.289280163 -0.136578743 1 ACH O1 2293 -0.044711465 -0.693517318 -0.206683440 1 ACH O2 2294 0.204319783 -0.057550889 -0.183394784 1 ACH H2 2295 -0.361831253 0.563357380 -1.323536199 1 ACH C1 2296 0.183181170 0.208229253 0.068041353 1 ACH C2 2297 0.504832121 -0.029671839 -0.528783696 1 ACH O1 2298 0.390922769 0.222546175 -0.051033310 1 ACH O2 2299 0.031899474 0.245944516 0.065306706 1 ACH H2 2300 0.543780326 0.170723522 -0.622246762 1 ACH C1 2301 0.020475373 0.041729100 -0.257680220 1 ACH C2 2302 0.151782554 -0.026757138 -0.196793982 1 ACH O1 2303 0.221541620 1.002845659 -0.040029891 1 ACH O2 2304 0.077962500 -0.009263437 -0.398698838 1 ACH H2 2305 -0.762834770 0.561456378 -0.835073283 1 ACH C1 2306 -0.307952581 0.164888940 0.179811101 1 ACH C2 2307 -0.767040861 -0.525814347 0.308930011 1 ACH O1 2308 -0.672438177 0.543731623 0.073820426 1 ACH O2 2309 -0.112348646 0.415391617 0.314582509 1 ACH H2 2310 -0.140747402 1.900395156 -2.489928059 1 ACH C1 2311 -0.033399766 -0.894995075 -0.342858865 1 ACH C2 2312 -0.079395057 -0.675244894 0.126819571 1 ACH O1 2313 -0.370231387 -0.288885863 -0.177787313 1 ACH O2 2314 -0.176920632 0.128521912 0.092591477 1 ACH H2 2315 1.180334325 -0.833162952 -0.101331392 1 ACH C1 2316 0.303778005 0.169775743 -0.126750409 1 ACH C2 2317 -0.036139109 0.040140024 0.086226663 1 ACH O1 2318 -0.102785616 -0.574871257 -0.480580639 1 ACH O2 2319 0.231707131 -0.202345246 0.065355825 1 ACH H2 2320 -0.448341372 2.173470570 2.874576325 1 ACH C1 2321 0.141974320 0.138033814 -0.347987512 1 ACH C2 2322 -0.083167346 0.239292583 -0.023187811 1 ACH O1 2323 0.713798470 0.021171405 -1.003787614 1 ACH O2 2324 0.108432842 -0.206854762 -0.231543094 1 ACH H2 2325 -0.682292817 -0.091384440 0.561485223 1 ACH C1 2326 -0.185486582 0.029844204 0.397898672 1 ACH C2 2327 0.316952550 0.693584231 -0.042911417 1 ACH O1 2328 0.265137129 -0.095490927 0.343203281 1 ACH O2 2329 -0.043869422 -0.044846787 0.485349989 1 ACH H2 2330 -0.228315389 -0.721758018 0.879421597 1 ACH C1 2331 -0.146457963 -0.752804274 -0.235619783 1 ACH C2 2332 -0.326044654 0.113380504 0.511328577 1 ACH O1 2333 -0.477881160 0.314068125 -0.322864998 1 ACH O2 2334 0.199008497 0.285307985 0.860108062 1 ACH H2 2335 0.825678285 -1.017739500 -2.521139367 1 ACH C1 2336 -0.102883701 -0.187395303 0.272768764 1 ACH C2 2337 -0.006340042 0.028377769 0.331606990 1 ACH O1 2338 -0.037669315 0.088954328 0.152696391 1 ACH O2 2339 0.420022275 -0.213495613 -0.360510202 1 ACH H2 2340 0.023801530 -0.458033834 -1.472263009 1 ACH C1 2341 0.217053568 0.339707639 -0.117232746 1 ACH C2 2342 0.070269491 0.257586766 -0.176661252 1 ACH O1 2343 0.053763371 0.170396268 -0.076910111 1 ACH O2 2344 0.085365600 0.179423641 0.139668803 1 ACH H2 2345 -0.848794108 -0.902278053 -1.697697175 1 ACH C1 2346 0.145204894 -0.011798905 -0.015206301 1 ACH C2 2347 0.353533316 -0.269588339 0.443813975 1 ACH O1 2348 0.479141652 0.427301440 -0.266730816 1 ACH O2 2349 -0.158275775 -0.013735811 0.088547354 1 ACH H2 2350 0.488247528 1.296235007 0.659232335 1 ACH C1 2351 0.006367521 -0.306151397 0.157275779 1 ACH C2 2352 0.275922249 0.071339569 -0.033568787 1 ACH O1 2353 -0.756036428 0.305962541 -0.166464114 1 ACH O2 2354 0.255263639 -0.082291469 0.029439793 1 ACH H2 2355 -0.643853739 2.502548773 1.442951706 1 ACH C1 2356 0.620042421 -0.232381736 0.012982867 1 ACH C2 2357 0.153157257 0.117577094 -0.487198996 1 ACH O1 2358 -0.126194024 -0.031489138 -0.157495115 1 ACH O2 2359 -0.325132767 -0.542708654 -0.545272028 1 ACH H2 2360 -0.522888742 -0.078194718 -1.926222320 1 ACH C1 2361 -0.062149902 -0.207226673 -0.546495095 1 ACH C2 2362 -0.096991949 -0.381180621 -0.730034149 1 ACH O1 2363 -0.260827384 -0.007223366 -0.366219931 1 ACH O2 2364 0.048364610 -0.116789081 -0.341442911 1 ACH H2 2365 -0.690395865 -0.573281904 -1.254628066 1 ACH C1 2366 -0.177349679 0.628482824 0.472983308 1 ACH C2 2367 -0.110570025 -0.392679275 0.514843119 1 ACH O1 2368 -0.398965700 0.321919303 0.077102338 1 ACH O2 2369 0.163941755 -0.122393396 0.738537627 1 ACH H2 2370 1.645828665 -1.898864127 -0.194838061 1 ACH C1 2371 0.417723431 0.065610905 0.071960324 1 ACH C2 2372 0.383976958 0.235974667 -0.061896334 1 ACH O1 2373 0.683910382 0.062097233 0.362885714 1 ACH O2 2374 -0.114607606 0.815130365 -0.138778059 1 ACH H2 2375 1.149602746 0.250520380 -0.534564727 1 ACH C1 2376 -0.146366971 -0.163457059 -0.309435850 1 ACH C2 2377 0.118186187 0.022344658 -0.592988191 1 ACH O1 2378 0.136390590 -0.409574377 -0.239489846 1 ACH O2 2379 0.455068750 -0.150590760 -0.322560826 1 ACH H2 2380 -1.287888457 -1.502570068 -0.176725584 1 ACH C1 2381 0.120058280 0.141511975 -0.037956665 1 ACH C2 2382 -0.154514914 0.334393622 -0.122181058 1 ACH O1 2383 -0.044576786 -0.007814474 0.706136048 1 ACH O2 2384 -0.501442952 -0.209748519 -0.206424499 1 ACH H2 2385 0.569964842 -0.135954855 1.263793038 1 ACH C1 2386 0.215772709 -0.221957760 -0.363215728 1 ACH C2 2387 0.241979106 -0.264692929 -0.174791042 1 ACH O1 2388 -0.400593994 0.011244679 0.208867305 1 ACH O2 2389 0.355664882 0.238153208 -0.201127403 1 ACH H2 2390 -2.443548119 2.237184567 -1.038516331 1 ACH C1 2391 -0.422772888 -0.580681079 -0.657402963 1 ACH C2 2392 0.063324176 -0.028893289 -0.040729022 1 ACH O1 2393 0.539486491 0.094077999 0.264077390 1 ACH O2 2394 -0.037096620 0.012844683 0.584185144 1 ACH H2 2395 -1.164237727 0.703004976 -2.974975694 1 ACH C1 2396 -0.180172805 0.862205141 -0.457033613 1 ACH C2 2397 -1.190926933 -0.812220374 -0.491634428 1 ACH O1 2398 -0.183921727 0.286271480 -0.452265016 1 ACH O2 2399 0.012926642 -0.131410140 -0.022917620 1 ACH H2 2400 0.044040421 1.635626966 1.001696496 1 ACH C1 2401 0.159425716 -0.430925815 -0.188088385 1 ACH C2 2402 -0.149954596 0.013801389 0.342527009 1 ACH O1 2403 -0.121001663 0.037121822 0.266106043 1 ACH O2 2404 -0.431615536 0.159348729 0.086655408 1 ACH H2 2405 -0.691193851 0.289679421 0.276746260 1 ACH C1 2406 -0.464772384 -0.530518181 -0.351461765 1 ACH C2 2407 -0.533344437 -0.584021574 -0.178261749 1 ACH O1 2408 0.487405769 0.064710953 0.632189042 1 ACH O2 2409 0.182074932 -0.549038646 -0.268300993 1 ACH H2 2410 -0.007044484 0.954277278 2.563677995 1 ACH C1 2411 0.078822233 -0.384158281 0.029435935 1 ACH C2 2412 0.015000342 0.588124812 0.172140462 1 ACH O1 2413 -0.061193528 -0.422887378 0.910811590 1 ACH O2 2414 -0.433087073 -0.022604597 -0.272581301 1 ACH H2 2415 1.061111952 -0.813814648 -0.998642151 1 ACH C1 2416 0.630590911 0.748041455 0.115424072 1 ACH C2 2417 -0.073589782 0.405267460 0.016931635 1 ACH O1 2418 -0.070173596 0.389523978 -0.216579105 1 ACH O2 2419 -0.786064665 0.017310534 -0.063685775 1 ACH H2 2420 0.303124503 -1.589059405 -1.327004684 1 ACH C1 2421 0.326157111 -0.187628269 0.748384573 1 ACH C2 2422 0.285977159 0.407318472 -0.518936177 1 ACH O1 2423 -0.253633490 0.354965047 -0.465211560 1 ACH O2 2424 0.282930139 -0.208034956 -0.575236207 1 ACH H2 2425 -0.431468265 0.196472374 -1.800461302 1 ACH C1 2426 -0.413058549 0.291645980 0.382459726 1 ACH C2 2427 -0.108755317 -0.403484753 -0.042882773 1 ACH O1 2428 0.198412785 0.175931305 0.093910304 1 ACH O2 2429 0.218794856 -0.427251999 -0.589412904 1 ACH H2 2430 -1.781623182 0.779101348 1.154848522 1 ACH C1 2431 0.312703018 0.267910677 -0.164961813 1 ACH C2 2432 0.640676390 -0.496670997 0.306669000 1 ACH O1 2433 -0.047808845 0.009752654 -0.440095090 1 ACH O2 2434 0.839872185 -0.222550511 -0.120045028 1 ACH H2 2435 -1.727165507 2.263715097 -1.076359135 1 ACH C1 2436 -0.285861451 0.855519094 -0.445008244 1 ACH C2 2437 -0.119760609 0.612831174 0.559112413 1 ACH O1 2438 0.728088222 -0.270265573 -0.039701338 1 ACH O2 2439 -0.229640929 0.124526905 0.482870588 1 ACH H2 2440 -0.067803240 -1.970854950 0.186620252 1 ACH C1 2441 0.218495374 0.101412472 0.289190647 1 ACH C2 2442 0.038045762 0.124289422 0.215453592 1 ACH O1 2443 -0.215075601 0.075525659 0.252282645 1 ACH O2 2444 -0.098271163 0.360919131 0.141453450 1 ACH H2 2445 0.921319723 -0.097368284 -1.540270828 1 ACH C1 2446 0.413061472 -0.454707843 -0.354814851 1 ACH C2 2447 0.127874892 -0.544143596 0.112114664 1 ACH O1 2448 -0.314619422 -0.065445082 -0.540170810 1 ACH O2 2449 -0.154494846 -0.450754635 0.099932496 1 ACH H2 2450 0.086357683 -1.583231254 -1.652779391 1 ACH C1 2451 0.260412897 0.588812583 -0.762848735 1 ACH C2 2452 -0.125616785 0.117413935 -0.407715315 1 ACH O1 2453 -0.109255947 -0.213591303 -0.129505604 1 ACH O2 2454 0.022233645 0.199859990 -0.416159026 1 ACH H2 2455 -0.632516206 -0.526937059 1.895710166 1 ACH C1 2456 0.030286117 -0.643846917 -0.551025864 1 ACH C2 2457 0.116555506 0.338136473 0.162700026 1 ACH O1 2458 0.170142413 -0.585408243 -0.088025177 1 ACH O2 2459 0.233682405 0.196463102 0.340263021 1 ACH H2 2460 1.115901294 -2.296372462 -1.326846245 1 ACH C1 2461 0.058550500 -0.091988708 0.088556164 1 ACH C2 2462 -0.169004713 0.326110605 0.137806464 1 ACH O1 2463 -0.180382168 0.508639973 -0.174293423 1 ACH O2 2464 0.292093985 0.343832872 -0.068453620 1 ACH H2 2465 -0.420370157 0.743990196 -0.489686235 1 ACH C1 2466 -0.191731793 0.072473568 0.367681012 1 ACH C2 2467 0.139951390 0.237957475 0.587076402 1 ACH O1 2468 0.515522936 0.095099830 0.212908950 1 ACH O2 2469 0.322419451 0.623183171 0.185816850 1 ACH H2 2470 0.201517274 1.745900312 0.697948943 1 ACH C1 2471 -0.091306474 0.161089936 0.400688346 1 ACH C2 2472 -0.162542109 -0.065147053 -0.322044634 1 ACH O1 2473 0.057707459 -0.295231412 -0.108446237 1 ACH O2 2474 0.519601994 -0.340551972 0.156891629 1 ACH H2 2475 0.252373661 -1.532296905 -2.318630187 1 ACH C1 2476 0.144116954 0.537963515 0.778310910 1 ACH C2 2477 -0.244065324 0.271189149 0.046855840 1 ACH O1 2478 0.241380952 -0.105436659 -0.108148489 1 ACH O2 2479 -0.491394893 0.130724699 0.133784382 1 ACH H2 2480 -0.388621767 0.697773100 1.474548384 1 ACH C1 2481 -0.021598472 0.129066043 -0.025173978 1 ACH C2 2482 -0.010305503 0.243550181 0.196964171 1 ACH O1 2483 -0.133237630 -0.102988098 0.255853523 1 ACH O2 2484 0.512545615 0.147289038 -0.146117142 1 ACH H2 2485 1.043513308 0.390604562 -0.394760830 1 ACH C1 2486 0.249006942 -0.199639342 0.055331826 1 ACH C2 2487 0.066826068 0.306256390 -0.648490979 1 ACH O1 2488 0.564096729 0.273637108 0.376716583 1 ACH O2 2489 0.107649048 0.141621373 0.149549513 1 ACH H2 2490 0.398781388 2.159194534 -0.941868312 1 ACH C1 2491 -0.275532869 -0.170224015 0.059924763 1 ACH C2 2492 0.301427057 -0.059855097 0.453498964 1 ACH O1 2493 0.240515148 -0.307460745 0.074997024 1 ACH O2 2494 -0.198916918 -0.028830088 -0.337042477 1 ACH H2 2495 -0.517979122 0.324203430 -0.931429128 1 ACH C1 2496 -0.355520678 0.213303549 -0.052457839 1 ACH C2 2497 -0.276706545 -0.320226816 0.042739717 1 ACH O1 2498 -0.065528398 -0.036596317 0.191124248 1 ACH O2 2499 0.002348454 -0.042699748 -0.284668828 1 ACH H2 2500 -0.155922625 0.749434762 0.282141234 1 ACH C1 2501 0.292397015 0.331858221 -0.057846419 1 ACH C2 2502 -0.293329723 -0.277645018 0.201865529 1 ACH O1 2503 -0.065670750 -0.486233174 0.031816995 1 ACH O2 2504 -0.480746479 0.021575182 -0.275337833 1 ACH H2 2505 0.406974394 0.212739941 -0.977955206 1 ACH C1 2506 0.512227164 0.238088360 0.204380411 1 ACH C2 2507 0.449463501 0.402523065 0.299296732 1 ACH O1 2508 -0.312102991 -0.163235707 -0.203117617 1 ACH O2 2509 -0.000359321 -0.152166570 -0.443139638 1 ACH H2 2510 0.582498222 -0.107261450 0.070627522 1 ACH C1 2511 -0.320154250 0.325501839 -0.355766235 1 ACH C2 2512 -0.189201058 -0.276941493 -0.141073805 1 ACH O1 2513 -0.109215491 -0.202302419 -0.211681532 1 ACH O2 2514 0.212054598 -0.111084309 0.128173364 1 ACH H2 2515 0.015744936 -0.265823716 2.903443750 1 ACH C1 2516 -0.067112708 0.344398563 -0.105942792 1 ACH C2 2517 0.248550539 0.069565707 0.072077414 1 ACH O1 2518 0.336709029 0.326931963 0.082190316 1 ACH O2 2519 0.131179092 0.116498711 0.002884114 1 ACH H2 2520 -0.774492262 -0.484938963 0.576895827 1 ACH C1 2521 -0.369285611 -0.528708151 0.131714530 1 ACH C2 2522 -0.294632565 -0.664945789 0.491277455 1 ACH O1 2523 0.053050161 0.446559286 -0.092321955 1 ACH O2 2524 -0.456086854 -0.335375479 -0.337785018 1 ACH H2 2525 0.468245161 -0.352743198 0.016105623 1 ACH C1 2526 -0.585260123 -0.409142638 0.384582507 1 ACH C2 2527 -0.389065894 -0.230336049 -0.114917169 1 ACH O1 2528 -0.905488241 -0.021800295 0.149697221 1 ACH O2 2529 -0.305035492 -0.502295455 0.022022017 1 ACH H2 2530 0.463642819 0.060246336 -0.707708699 1 ACH C1 2531 -0.223199330 0.099234901 0.462078938 1 ACH C2 2532 0.051576407 0.155813293 0.608111480 1 ACH O1 2533 -0.024603510 -0.414510822 0.352371650 1 ACH O2 2534 0.386290805 -0.240442987 0.058245619 1 ACH H2 2535 0.483174827 -1.543031418 -2.048379721 1 ACH C1 2536 -0.226225782 0.168150554 -0.118230244 1 ACH C2 2537 -0.222465822 0.132640566 0.012437516 1 ACH O1 2538 -0.630208838 0.081395949 -0.236973947 1 ACH O2 2539 0.423346749 -0.091647062 -0.239229205 1 ACH H2 2540 0.092042928 -1.292116151 -1.257527534 1 ACH C1 2541 0.492111762 -0.042314457 -0.058071787 1 ACH C2 2542 0.562236192 -0.192919800 -0.141608315 1 ACH O1 2543 0.465769209 0.102019357 0.033113328 1 ACH O2 2544 0.198214205 -0.084389934 -0.052187101 1 ACH H2 2545 1.042649214 -0.968580239 -3.611212315 1 ACH C1 2546 -0.040349349 -0.357441628 0.433758365 1 ACH C2 2547 0.043774262 -0.176586049 -0.102043513 1 ACH O1 2548 0.102965753 -0.455583819 -0.365659022 1 ACH O2 2549 -0.236937389 -0.250340844 0.507458625 1 ACH H2 2550 -2.301884014 -0.139985686 2.568635378 1 ACH C1 2551 0.411648220 0.276403767 -0.216596983 1 ACH C2 2552 0.519730765 0.232781422 -0.147512060 1 ACH O1 2553 0.243851410 -0.153731702 0.559335603 1 ACH O2 2554 0.403451122 -0.359791265 0.573250835 1 ACH H2 2555 -0.106030637 -0.270014082 0.382312460 1 ACH C1 2556 -0.196904476 0.304648049 0.086270961 1 ACH C2 2557 0.138608692 0.192536313 0.071181055 1 ACH O1 2558 0.361832333 0.184875236 -0.106518073 1 ACH O2 2559 -0.132560989 0.384469993 -0.004937605 1 ACH H2 2560 0.360418546 3.038982957 -0.241645566 END BOX 3.547126751 3.547126751 3.547126751 END