MT from job 1251 (LKU-53)
1.0
17.15000000 0.00000000 -0.04287500
0.00000000 17.15000000 0.00000000
-0.04287500 0.00000000 17.15000000
Si C O H
69 59 88 164
Direct
0.03980147 0.08641172 0.99526753 # 1 Si1
0.26308591 0.08594097 0.38429647 # 2 Si2
0.98402148 0.27556311 0.03991746 # 3 Si3
0.31110570 0.24035765 0.29464405 # 4 Si4
0.09920326 0.10576574 0.52516828 # 5 Si5
0.28107735 0.10467476 0.78462170 # 6 Si6
0.09555630 0.27223580 0.61882677 # 7 Si7
0.26980426 0.26915048 0.69924292 # 8 Si8
0.01773477 0.45994344 0.99139688 # 9 Si9
0.25336974 0.41588550 0.35860884 # 10 Si10
0.06791999 0.59658912 0.13004729 # 11 Si11
0.24539441 0.55330048 0.21912276 # 12 Si12
0.08621854 0.37587625 0.46286998 # 13 Si13
0.28883967 0.39856892 0.84127291 # 14 Si14
0.29610085 0.58170359 0.80810087 # 15 Si15
0.08070640 0.77265041 0.00301069 # 16 Si16
0.26193933 0.80319817 0.41133648 # 17 Si17
0.09835593 0.92616426 0.12800830 # 18 Si18
0.24107998 0.93186257 0.27120608 # 19 Si19
0.08606567 0.85090450 0.46520221 # 20 Si20
0.25849178 0.75928913 0.86232030 # 21 Si21
0.09392957 0.94367174 0.62534374 # 22 Si22
0.27101832 0.92491125 0.72160276 # 23 Si23
0.40256413 0.12269152 0.91541519 # 24 Si24
0.58211849 0.09306225 0.38134489 # 25 Si25
0.41175712 0.30513703 0.17158309 # 26 Si26
0.56843259 0.23665892 0.24935923 # 27 Si27
0.42395221 0.08480115 0.49168889 # 28 Si28
0.57590294 0.11900780 0.85268727 # 29 Si29
0.43858851 0.25290260 0.58280600 # 30 Si30
0.57168055 0.25515181 0.72530277 # 31 Si31
0.42140136 0.40823344 0.01911106 # 32 Si32
0.58241465 0.42835246 0.32995268 # 33 Si33
0.40758375 0.57654472 0.11760492 # 34 Si34
0.56815432 0.59300310 0.22674157 # 35 Si35
0.44614086 0.39975455 0.46066838 # 36 Si36
0.44546617 0.65149013 0.66009549 # 37 Si37
0.59884775 0.66299411 0.75024283 # 38 Si38
0.41920302 0.71065557 0.96840167 # 39 Si39
0.59745414 0.77227640 0.38412750 # 40 Si40
0.41499286 0.93108502 0.19422203 # 41 Si41
0.58251726 0.93191144 0.27396340 # 42 Si42
0.43570126 0.79539243 0.50255903 # 43 Si43
0.59662265 0.80391713 0.86151800 # 44 Si44
0.42912999 0.94103485 0.61837067 # 45 Si45
0.55895601 0.96241837 0.75914079 # 46 Si46
0.71946794 0.06726285 0.97486183 # 47 Si47
0.93118743 0.07652900 0.43907390 # 48 Si48
0.82052261 0.18978695 0.08671243 # 49 Si49
0.89716030 0.17436283 0.27135919 # 50 Si50
0.75309303 0.10491555 0.52272595 # 51 Si51
0.90129991 0.00882594 0.90839909 # 52 Si52
0.75956042 0.22557493 0.66682899 # 53 Si53
0.92713700 0.29251545 0.71541072 # 54 Si54
0.77357900 0.46773042 0.98924345 # 55 Si55
0.99116324 0.32177885 0.32531284 # 56 Si56
0.70768130 0.61546056 0.08964566 # 57 Si57
0.97943976 0.60069186 0.30106921 # 58 Si58
0.89185138 0.47641419 0.83926696 # 59 Si59
0.72074432 0.70784912 0.64711992 # 60 Si60
0.87059291 0.65701406 0.75436806 # 61 Si61
0.73651934 0.79139555 0.98135333 # 62 Si62
0.93514043 0.76226583 0.39645872 # 63 Si63
0.69701835 0.94817240 0.11767316 # 64 Si64
0.83734224 0.78226807 0.25128888 # 65 Si65
0.76841009 0.77286768 0.49509156 # 66 Si66
0.91348673 0.77437152 0.89066548 # 67 Si67
0.79528531 0.91963339 0.62288966 # 68 Si68
0.94387239 0.93015053 0.74279750 # 69 Si69
0.07990725 0.03327444 0.09066830 # 70 C1
0.05296844 0.19933028 0.00087143 # 71 C2
0.23542412 0.31668560 0.31355530 # 72 C3
0.18816152 0.12518067 0.45905559 # 73 C4
0.33942979 0.29282585 0.61715309 # 74 C5
0.99413547 0.53169896 0.07315687 # 75 C6
0.16232694 0.53714719 0.14544982 # 76 C7
0.16505093 0.44135085 0.42383794 # 77 C8
0.99958251 0.48937505 0.53549359 # 78 C9
0.23273659 0.67389993 0.79055870 # 79 C10
0.37600307 0.59017299 0.72564961 # 80 C11
0.98862069 0.49605385 0.89078520 # 81 C12
0.08478768 0.70151594 0.09076963 # 82 C13
0.28139610 0.86337943 0.81639664 # 83 C14
0.18351573 0.89400703 0.66300440 # 84 C15
0.17793872 0.75700060 0.94751541 # 85 C16
0.61185648 0.33590861 0.27510324 # 86 C17
0.67210372 0.28914370 0.68406749 # 87 C18
0.49943626 0.17040883 0.90967341 # 88 C19
0.59246913 0.66814229 0.32472093 # 89 C20
0.33960677 0.42438510 0.43152499 # 90 C21
0.37962447 0.39371198 0.91176558 # 91 C22
0.40235894 0.71499062 0.57531642 # 92 C23
0.51462034 0.75111041 0.90683958 # 93 C24
0.92438806 0.08392813 0.32750142 # 94 C25
0.89203321 0.14842186 0.15957692 # 95 C26
0.85582298 0.13535575 0.49137504 # 96 C27
0.67990270 0.11764772 0.43289462 # 97 C28
0.74128757 0.00749700 0.57808398 # 98 C29
0.89835589 0.36937748 0.79758378 # 99 C30
0.79198843 0.02158832 0.90665208 # 100 C31
0.68635315 0.40762184 0.44870331 # 101 C32
0.85650748 0.54802606 0.76150171 # 102 C33
0.68781239 0.69596624 0.01530221 # 103 C34
0.90957862 0.83205328 0.31804898 # 104 C35
0.73761845 0.85411336 0.07484810 # 105 C36
0.95672778 0.83876725 0.80655024 # 106 C37
0.39721666 0.24286665 0.35869248 # 107 C38
0.20300712 0.12338978 0.85656400 # 108 C39
0.20072960 0.37291880 0.89929762 # 109 C40
0.27554515 0.57149270 0.91687102 # 110 C41
0.08111481 0.92219511 0.38380253 # 111 C42
0.41402505 0.39805669 0.22501391 # 112 C43
0.44658768 0.61110118 0.92534178 # 113 C44
0.43275000 0.92423931 0.09028993 # 114 C45
0.90815331 0.97511285 0.47086733 # 115 C46
0.76271687 0.27699434 0.10836021 # 116 C47
0.92795192 0.93309866 0.98142945 # 117 C48
0.77874789 0.15189636 0.74465076 # 118 C49
0.03283326 0.38430279 0.24718545 # 119 C50
0.88631362 0.54766881 0.28455807 # 120 C51
0.64472677 0.78550220 0.62862149 # 121 C52
0.88873372 0.75918500 0.15772571 # 122 C53
0.74964336 0.89022022 0.71742066 # 123 C54
0.25805423 0.69703643 0.39378995 # 124 C55
0.47513608 0.47872431 0.52849590 # 125 C56
0.77308970 0.99278322 0.18154541 # 126 C57
0.80242826 0.22018169 0.29861088 # 127 C58
0.66564740 0.40255065 0.89557234 # 128 C59
0.27253452 0.15303419 0.31572469 # 129 O1
0.33748288 0.24927621 0.20100587 # 130 O2
0.02126191 0.09910007 0.46936816 # 131 O3
0.10652710 0.03038388 0.58478344 # 132 O4
0.27891266 0.17583719 0.72051067 # 133 O5
0.08941138 0.18342062 0.58265021 # 134 O6
0.29083761 0.32748269 0.77312874 # 135 O7
0.17453584 0.28047209 0.67362437 # 136 O8
0.95228578 0.08153915 0.95149450 # 137 O9
0.98108397 0.36547162 0.00572662 # 138 O10
0.25251788 0.48240357 0.28598698 # 139 O11
0.32884059 0.56529183 0.17352243 # 140 O12
0.05627402 0.31244538 0.39634586 # 141 O13
0.10939612 0.33194244 0.54437782 # 142 O14
0.27931745 0.48324369 0.79255896 # 143 O15
0.00568787 0.42878956 0.47830801 # 144 O16
0.25046361 0.85464117 0.32764776 # 145 O17
0.09685111 0.86026545 0.05561930 # 146 O18
0.23868523 0.00792939 0.32932511 # 147 O19
0.32833576 0.93639777 0.22437158 # 148 O20
0.17599806 0.92764912 0.19746533 # 149 O21
0.18076262 0.82194916 0.46393131 # 150 O22
0.01447056 0.78567264 0.44873710 # 151 O23
0.06607011 0.88549992 0.55241376 # 152 O24
0.26744373 0.01874068 0.74465741 # 153 O25
0.34634072 0.91668128 0.65972062 # 154 O26
0.99291525 0.76740138 0.95315494 # 155 O27
0.56409866 0.16831113 0.32073555 # 156 O28
0.48980334 0.25041384 0.19470963 # 157 O29
0.50430904 0.07857492 0.43690109 # 158 O30
0.34660386 0.07210903 0.43301238 # 159 O31
0.42295813 0.01763583 0.56030171 # 160 O32
0.59402390 0.16733292 0.77178506 # 161 O33
0.42130885 0.16925264 0.53529479 # 162 O34
0.53541544 0.31438571 0.78512621 # 163 O35
0.51024235 0.23979875 0.64501118 # 164 O36
0.36643207 0.10461426 0.82789452 # 165 O37
0.40121703 0.33141565 0.07856432 # 166 O38
0.57449001 0.50685001 0.27287826 # 167 O39
0.41056373 0.49131874 0.06830384 # 168 O40
0.63695741 0.60298336 0.15719724 # 169 O41
0.48348147 0.58910040 0.18049510 # 170 O42
0.50552790 0.40697994 0.38393472 # 171 O43
0.45950109 0.31733541 0.51114625 # 172 O44
0.59127327 0.58589833 0.80643791 # 173 O45
0.63392002 0.73608183 0.80059842 # 174 O46
0.66144481 0.63878563 0.68001480 # 175 O47
0.51428366 0.69224932 0.71493389 # 176 O48
0.51644398 0.40399817 0.00332276 # 177 O49
0.40123687 0.65296117 0.06331957 # 178 O50
0.59960245 0.85210890 0.32485684 # 179 O51
0.59490265 0.01197595 0.32508211 # 180 O52
0.62384664 0.93463581 0.18584543 # 181 O53
0.48498710 0.92885849 0.25449994 # 182 O54
0.51546896 0.77969835 0.44243613 # 183 O55
0.35155373 0.81771336 0.45157581 # 184 O56
0.57131059 0.88018335 0.80711557 # 185 O57
0.45690369 0.87025358 0.55893944 # 186 O58
0.54562908 0.03079272 0.82517192 # 187 O59
0.49109697 0.95449793 0.69067295 # 188 O60
0.33865672 0.73775962 0.91163514 # 189 O61
0.67938555 0.01105239 0.04428042 # 190 O62
0.77189571 0.13333699 0.02859654 # 191 O63
0.96898052 0.23796665 0.28410834 # 192 O64
0.73720797 0.17743217 0.58533418 # 193 O65
0.01241138 0.29811099 0.66428335 # 194 O66
0.84719888 0.27597561 0.66153753 # 195 O67
0.65215228 0.10523503 0.91726376 # 196 O68
0.83308532 0.43447533 0.05702146 # 197 O69
0.72693469 0.53970390 0.03177112 # 198 O70
0.95895135 0.68073077 0.35143774 # 199 O71
0.02482233 0.61531472 0.21667947 # 200 O72
0.91050942 0.35771182 0.36344549 # 201 O73
0.65497683 0.45458369 0.38765079 # 202 O74
0.89170780 0.69303522 0.84204943 # 203 O75
0.94953820 0.67363224 0.70044453 # 204 O76
0.79718704 0.70233297 0.70818035 # 205 O77
0.82425993 0.48729276 0.90979590 # 206 O78
0.71222734 0.39837399 0.96513798 # 207 O79
0.85093501 0.75453457 0.44677591 # 208 O80
0.68505500 0.77772332 0.43736250 # 209 O81
0.75662742 0.69901823 0.55681225 # 210 O82
0.78907903 0.85165594 0.54974204 # 211 O83
0.92665690 0.99625523 0.81394768 # 212 O84
0.02866417 0.94699896 0.69740545 # 213 O85
0.88438839 0.93336019 0.66487653 # 214 O86
0.82898217 0.78814363 0.94194570 # 215 O87
0.67469860 0.82722910 0.91595422 # 216 O88
0.98712038 0.28023344 0.12617094 # 217 H1
0.09568221 0.05664943 0.93686217 # 218 H2
0.22947812 0.62644046 0.26180807 # 219 H3
0.01256164 0.46697526 0.59430402 # 220 H4
0.10265515 0.44537080 0.99398410 # 221 H5
0.93942661 0.51150149 0.53457551 # 222 H6
0.40793660 0.04716683 0.95926376 # 223 H7
0.34613168 0.17298595 0.95941470 # 224 H8
0.62538111 0.19970087 0.19468748 # 225 H9
0.48787577 0.58963370 0.61724928 # 226 H10
0.41137617 0.77920511 0.02423020 # 227 H11
0.62977324 0.98367597 0.71571415 # 228 H12
0.89714613 0.24084462 0.02722980 # 229 H13
0.94035352 0.22183052 0.76444040 # 230 H14
0.03542514 0.55658542 0.35090954 # 231 H15
0.77861204 0.62760186 0.13790895 # 232 H16
0.70917622 0.44661487 0.49425814 # 233 H17
0.73494133 0.37153169 0.42675779 # 234 H18
0.76811118 0.83374257 0.24021504 # 235 H19
0.03238290 0.90596559 0.18066506 # 236 H20
0.80556280 0.70935706 0.28640960 # 237 H21
0.05347999 0.05939767 0.14352101 # 238 H22
0.10936792 0.21252254 0.02937944 # 239 H23
0.19062851 0.28961935 0.35088957 # 240 H24
0.16395894 0.17528924 0.42604719 # 241 H25
0.35032515 0.35603117 0.62415530 # 242 H26
0.94711893 0.57056621 0.05243004 # 243 H27
0.14136858 0.47658929 0.15276723 # 244 H28
0.13107416 0.48397422 0.38922289 # 245 H29
0.17010569 0.66209389 0.80015004 # 246 H30
0.33925315 0.56044900 0.68103429 # 247 H31
0.03562067 0.47711908 0.85090937 # 248 H32
0.05023456 0.73421598 0.13426365 # 249 H33
0.34412723 0.86766103 0.83128657 # 250 H34
0.15866563 0.84323655 0.69416592 # 251 H35
0.18148102 0.69295638 0.95647534 # 252 H36
0.62755902 0.35585840 0.21559746 # 253 H37
0.66017001 0.32033995 0.62894899 # 254 H38
0.49365803 0.22787708 0.88027038 # 255 H39
0.65368725 0.64838252 0.33111931 # 256 H40
0.34261825 0.48880293 0.43806568 # 257 H41
0.39824502 0.33224665 0.90337345 # 258 H42
0.37539048 0.66819896 0.53972665 # 259 H43
0.54839638 0.69655098 0.91339841 # 260 H44
0.98095182 0.06369771 0.30405788 # 261 H45
0.88761111 0.08463316 0.15564674 # 262 H46
0.85050906 0.19519908 0.46845174 # 263 H47
0.72019993 0.10604983 0.38366272 # 264 H48
0.69805807 0.97531535 0.54243784 # 265 H49
0.92845899 0.34012364 0.84688961 # 266 H50
0.77958201 0.05275121 0.85173819 # 267 H51
0.79286824 0.53715705 0.76163716 # 268 H52
0.67596866 0.66242596 0.96148319 # 269 H53
0.88402233 0.88536081 0.34254823 # 270 H54
0.72373056 0.80999130 0.11966675 # 271 H55
0.97395916 0.79085802 0.76687743 # 272 H56
0.13862223 0.06077658 0.08827961 # 273 H57
0.06180427 0.21277591 0.93836147 # 274 H58
0.20591707 0.32800322 0.25750366 # 275 H59
0.22951160 0.15255941 0.50059253 # 276 H60
0.30520081 0.28827277 0.56256887 # 277 H61
0.96634263 0.49768721 0.12032024 # 278 H62
0.19107648 0.53723998 0.08758184 # 279 H63
0.18743384 0.47553264 0.47369253 # 280 H64
0.23831843 0.69484484 0.73002376 # 281 H65
0.41835048 0.54370372 0.74082536 # 282 H66
0.99406784 0.56022573 0.89529516 # 283 H67
0.14575919 0.71280821 0.10933710 # 284 H68
0.25312778 0.90251760 0.85951326 # 285 H69
0.20937149 0.86859767 0.60969705 # 286 H70
0.21563469 0.77945602 0.99517347 # 287 H71
0.66885566 0.32155121 0.30187231 # 288 H72
0.68786685 0.33510160 0.72638753 # 289 H73
0.51918497 0.18094076 0.96995890 # 290 H74
0.56109421 0.63299913 0.36886921 # 291 H75
0.30877909 0.40664767 0.48564659 # 292 H76
0.42550918 0.42597989 0.87967581 # 293 H77
0.35185185 0.74743948 0.59940401 # 294 H78
0.48349623 0.74058876 0.85085155 # 295 H79
0.88200626 0.03808299 0.31118075 # 296 H80
0.95132997 0.16196489 0.13846095 # 297 H81
0.88208031 0.14389276 0.54984418 # 298 H82
0.67623459 0.18223966 0.43352822 # 299 H83
0.70631261 0.02819948 0.62836960 # 300 H84
0.83725680 0.34843387 0.80301663 # 301 H85
0.77080207 0.96154110 0.89549847 # 302 H86
0.87696796 0.52584415 0.70454647 # 303 H87
0.63060989 0.72178662 0.03102748 # 304 H88
0.96086087 0.84876678 0.28332095 # 305 H89
0.80022242 0.86564268 0.08525930 # 306 H90
0.01269183 0.85702628 0.83325184 # 307 H91
0.37860706 0.24461532 0.41976849 # 308 H92
0.43047978 0.18890563 0.35077394 # 309 H93
0.43710941 0.29165201 0.34898187 # 310 H94
0.20886824 0.18243678 0.88085701 # 311 H95
0.14522903 0.11816816 0.82932639 # 312 H96
0.20620474 0.08161239 0.90492821 # 313 H97
0.19518202 0.41071671 0.95047343 # 314 H98
0.14672924 0.37585050 0.86482170 # 315 H99
0.20795715 0.31270835 0.92051001 # 316 H100
0.30117244 0.51953083 0.94379594 # 317 H101
0.28704548 0.62155758 0.95435455 # 318 H102
0.21169472 0.56189720 0.91463567 # 319 H103
0.02286125 0.94543668 0.37289920 # 320 H104
0.12084166 0.97124678 0.39354088 # 321 H105
0.09930857 0.89172689 0.33031815 # 322 H106
0.36358085 0.43273483 0.20711721 # 323 H107
0.41317765 0.39275909 0.28844517 # 324 H108
0.46590117 0.43186194 0.20872875 # 325 H109
0.40658942 0.56464182 0.94149956 # 326 H110
0.45355017 0.61255548 0.86178138 # 327 H111
0.50376712 0.59428669 0.94926877 # 328 H112
0.42222979 0.86256879 0.07045132 # 329 H113
0.39255568 0.96203748 0.05766391 # 330 H114
0.49343055 0.93968179 0.07704748 # 331 H115
0.94392096 0.92794310 0.44788253 # 332 H116
0.91452446 0.97328132 0.53468187 # 333 H117
0.84691709 0.96186692 0.45717657 # 334 H118
0.71404106 0.25706308 0.14541371 # 335 H119
0.79529204 0.32271292 0.13895957 # 336 H120
0.73774916 0.30187712 0.05470885 # 337 H121
0.98980545 0.91718389 0.97928787 # 338 H122
0.89249734 0.88040864 0.98291490 # 339 H123
0.91845682 0.96263459 0.03781403 # 340 H124
0.83264570 0.11904073 0.73332566 # 341 H125
0.78451136 0.18037218 0.80188638 # 342 H126
0.72907033 0.11165162 0.74784024 # 343 H127
0.05491916 0.43956835 0.27090901 # 344 H128
0.08137188 0.35459890 0.21766783 # 345 H129
0.98821093 0.39798088 0.20329117 # 346 H130
0.85010718 0.57759814 0.24088915 # 347 H131
0.89606924 0.48766416 0.26440804 # 348 H132
0.85246157 0.54436391 0.33896601 # 349 H133
0.66235412 0.83824142 0.59786145 # 350 H134
0.60614097 0.75303579 0.58866027 # 351 H135
0.60909785 0.80216064 0.67866265 # 352 H136
0.91551550 0.81152827 0.13208941 # 353 H137
0.93578815 0.71781421 0.17108814 # 354 H138
0.85128317 0.73184732 0.11376024 # 355 H139
0.78239735 0.84060697 0.74138516 # 356 H140
0.75986898 0.94038846 0.75619554 # 357 H141
0.68807468 0.87635482 0.72006441 # 358 H142
0.20252279 0.67927902 0.36751239 # 359 H143
0.30585914 0.67621378 0.35669234 # 360 H144
0.26272559 0.66802736 0.45090884 # 361 H145
0.53520112 0.47022984 0.54934501 # 362 H146
0.47212516 0.53627098 0.50045345 # 363 H147
0.43717872 0.47970499 0.58011376 # 364 H148
0.77885024 0.95895962 0.23560930 # 365 H149
0.83016912 0.99279527 0.15255991 # 366 H150
0.75710992 0.05286462 0.19724042 # 367 H151
0.79800323 0.23037840 0.36154024 # 368 H152
0.79807151 0.27742204 0.27012959 # 369 H153
0.75226805 0.18477623 0.28002008 # 370 H154
0.92257622 0.38980794 0.40946138 # 371 H155
0.64215200 0.36915805 0.47538054 # 372 H156
0.03940251 0.53806288 0.52209293 # 373 H157
0.94016790 0.69177725 0.64761924 # 374 H158
0.59032592 0.53485333 0.78190229 # 375 H159
0.53267084 0.37538800 0.95710653 # 376 H160
0.87665440 0.40361633 0.03719803 # 377 H161
0.62238276 0.44973411 0.90014170 # 378 H162
0.70249994 0.41326349 0.84394448 # 379 H163
0.63520179 0.34691652 0.88653385 # 380 H164