cell 54. 54. 54. 90. 90. 90. space full fm-3m 225 1 crystal space 0.0 0.0 0.0 xyz surflat 0.0000000000 62.0145742208 0.0000000000 0.0000000000 0.0000000000 60.2940723824 reg1 block1 P CORE -1.0917420159 -1.0456428329 -0.1072386573 1 O CORE 0.3991510906 -1.1514102211 0.4790876720 2 O SHEL 0.3941473414 -1.1626591455 0.4667891606 3 O CORE -1.8949227848 0.1858468843 0.5553551239 4 O SHEL -1.9124307750 0.1992915501 0.5292937022 5 O CORE -1.8665874158 -2.3283331904 0.5022088555 6 O SHEL -1.8734636739 -2.3374431415 0.4891217510 7 O CORE -1.1671957250 -0.9194852295 -1.7037299346 8 O SHEL -1.1833081120 -0.9077986171 -1.6984331869 9 LI CORE 0.0000000000 0.0000000000 -2.8000000000 10 P CORE 0.8275499873 1.8837306423 -0.9162994114 11 O CORE 1.2161731966 1.9107317493 0.6244731037 12 O SHEL 1.2673427603 1.9109612129 0.6337815134 13 O CORE -0.7369479905 1.8584373315 -1.1964442616 14 O SHEL -0.7689010947 1.8505784803 -1.1570958296 15 O CORE 1.5228129605 0.6282476121 -1.7059007904 16 O SHEL 1.5261448186 0.6465212000 -1.7075109023 17 O CORE 1.6925353461 3.0373958456 -1.6726324606 18 O SHEL 1.7167780124 3.0038773439 -1.6804904611 19 FE CORE 2.1385776149 -1.0569559705 -0.5614904765 20 LI CORE -0.0000000341 -2.0665860398 2.0146709279 21 MN CORE -2.3810084338 1.8064091187 -0.3416959213 22 MN CORE 2.6836087528 1.8064091185 1.7839162294 23 P CORE 0.8275499873 -3.9717106431 -0.9162994120 24 O CORE 1.2161731966 -3.9447095361 0.6244731032 25 O SHEL 1.2673427603 -3.9444800725 0.6337815128 26 O CORE 1.6925353461 -2.8180454398 -1.6726324611 27 O SHEL 1.7167780124 -2.8515639415 -1.6804904616 28 O CORE -0.7369479905 -3.9970039539 -1.1964442622 29 O SHEL -0.7689010947 -4.0048628050 -1.1570958302 30 O CORE 1.5228129605 -5.2271936732 -1.7059007909 31 O SHEL 1.5261448186 -5.2089200854 -1.7075109028 32 FE CORE -2.9260396049 -1.0569559707 2.0037107763 33 P CORE 3.9728751740 -1.0456428331 1.5494589831 34 O CORE 3.1696944145 0.1858468843 0.8868651908 35 O SHEL 3.1521864240 0.1992915501 0.9129266122 36 O CORE 3.8974214423 -0.9194852300 3.1459502593 37 O SHEL 3.8813090553 -0.9077986176 3.1406535114 38 O CORE 3.1980297828 -2.3283331904 0.9400114590 39 O SHEL 3.1911535245 -2.3374431415 0.9530985634 40 O CORE 5.4637682889 -1.1514102211 0.9631326749 41 O SHEL 5.4587645395 -1.1626591455 0.9754311863 42 MN CORE 2.6836087869 1.9824461271 -3.0307546987 43 FE CORE -2.9260395708 -1.0096300691 -2.8109601517 44 P CORE -1.0917420500 -1.0209432074 4.7074322708 45 O CORE -1.1671957592 -1.1471008105 3.1109409935 46 O SHEL -1.1833081461 -1.1587874229 3.1162377411 47 O CORE 0.3991510565 -0.9151758194 5.2937586001 48 O SHEL 0.3941473073 -0.9039268950 5.2814600886 49 O CORE -1.8665874499 0.2617471499 5.3168797838 50 O SHEL -1.8734637080 0.2708571010 5.3037926793 51 O CORE -1.8949228190 -2.2524329248 5.3700260517 52 O SHEL -1.9124308091 -2.2658775906 5.3439646300 53 P CORE 0.8275499531 1.9051246029 3.8983715166 54 O CORE 1.6925353120 0.7514593998 3.1420384673 55 O SHEL 1.7167779783 0.7849779014 3.1341804668 56 O CORE -0.7369480247 1.9304179138 3.6182266664 57 O SHEL -0.7689011288 1.9382767649 3.6575750984 58 O CORE 1.2161731624 1.8781234956 5.4391440318 59 O SHEL 1.2673427262 1.8778940320 5.4484524414 60 O CORE 1.5228129264 3.1606076332 3.1087701379 61 O SHEL 1.5261447844 3.1423340454 3.1071600260 62 LI CORE -0.0000000341 3.7888552456 2.0146709284 63 P CORE -1.0917420159 4.8097984524 -0.1072386567 64 O CORE -1.8665874158 3.5271080950 0.5022088561 65 O SHEL -1.8734636739 3.5179981439 0.4891217516 66 O CORE 0.3991510906 4.7040310643 0.4790876726 67 O SHEL 0.3941473414 4.6927821399 0.4667891611 68 O CORE -1.8949227848 6.0412881697 0.5553551244 69 O SHEL -1.9124307750 6.0547328355 0.5292937027 70 O CORE -1.1671957250 4.9359560559 -1.7037299340 71 O SHEL -1.1833081120 4.9476426682 -1.6984331863 72 P CORE -1.0917419817 -1.0209432065 -4.9219095853 73 O CORE 0.3991511248 -0.9151758185 -4.3355832560 74 O SHEL 0.3941473756 -0.9039268941 -4.3478817675 75 O CORE -1.8665873816 0.2617471508 -4.3124620723 76 O SHEL -1.8734636397 0.2708571019 -4.3255491768 77 O CORE -1.8949227507 -2.2524329239 -4.2593158044 78 O SHEL -1.9124307408 -2.2658775897 -4.2853772261 79 O CORE -1.1671956909 -1.1471008096 -6.5184008626 80 O SHEL -1.1833080778 -1.1587874220 -6.5131041150 81 FE CORE 2.1385775808 -1.0096300698 4.2531804515 82 MN CORE -2.3810084338 -4.0490321666 -0.3416959219 83 P CORE -4.2370672376 1.8837306420 2.3585196932 84 O CORE -3.5418042756 0.6282476117 3.1481210818 85 O SHEL -3.5384724175 0.6465211995 3.1497311937 86 O CORE -3.3720818895 3.0373958451 3.1148527548 87 O SHEL -3.3478392233 3.0038773435 3.1227107557 88 O CORE -3.8484440065 1.9107317493 0.8177471835 89 O SHEL -3.7972744426 1.9109612129 0.8084387746 90 O CORE -5.8015652194 1.8584373311 2.6386645212 91 O SHEL -5.8335183230 1.8505784800 2.5993160887 92 P CORE -4.2370672035 1.9051246035 -2.4561512349 93 O CORE -3.3720818554 0.7514594002 -1.6998181735 94 O SHEL -3.3478391892 0.7849779019 -1.6919601726 95 O CORE -3.5418042414 3.1606076336 -1.6665498461 96 O SHEL -3.5384723834 3.1423340458 -1.6649397341 97 O CORE -5.8015651852 1.9304179143 -2.1760064069 98 O SHEL -5.8335182888 1.9382767655 -2.2153548393 99 O CORE -3.8484439723 1.8781234965 -3.9969237445 100 O SHEL -3.7972744084 1.8778940329 -4.0062321535 101 MN CORE 2.6836087528 -4.0490321668 1.7839162288 102 LI CORE -0.0000000683 -0.0000000009 6.8293418561 103 MN CORE -2.3810084680 1.9824461264 4.4729750068 104 MN CORE 2.6836087869 -3.8729951583 -3.0307546992 105 FE CORE 2.1385776149 4.7984853149 -0.5614904760 106 LI CORE 5.0646171858 -2.0665860396 -0.5724505868 107 LI CORE -5.0646172175 -2.0665860396 -0.5724506586 108 P CORE 3.9728752082 -1.0209432067 -3.2652119450 109 O CORE 3.8974214764 -1.1471008101 -1.6687206687 110 O SHEL 3.8813090895 -1.1587874225 -1.6740174166 111 O CORE 3.1980298170 0.2617471508 -3.8746594688 112 O SHEL 3.1911535586 0.2708571019 -3.8615723644 113 O CORE 3.1696944487 -2.2524329239 -3.9278057375 114 O SHEL 3.1521864581 -2.2658775897 -3.9017443160 115 O CORE 5.4637683230 -0.9151758185 -3.8515382531 116 O SHEL 5.4587645736 -0.9039268941 -3.8392397417 117 FE CORE 2.1385776491 -1.0096300689 -5.3761614046 118 MN CORE -2.3810083997 1.9824461273 -5.1563668493 119 P CORE 0.8275500214 1.9051246038 -5.7309703395 120 O CORE 1.2161732307 1.8781234965 -4.1901978243 121 O SHEL 1.2673427945 1.8778940329 -4.1808894147 122 O CORE -0.7369479564 1.9304179147 -6.0111151897 123 O SHEL -0.7689010605 1.9382767658 -5.9717667577 124 O CORE 1.6925353803 0.7514594007 -6.4873033888 125 O SHEL 1.7167780466 0.7849779023 -6.4951613893 126 O CORE 1.5228129947 3.1606076341 -6.5205717182 127 O SHEL 1.5261448527 3.1423340463 -6.5221818301 128 P CORE -6.1563592293 -1.0456428331 1.5494589113 129 O CORE -4.6654661144 -1.1514102211 0.9631326031 130 O SHEL -4.6704698638 -1.1626591455 0.9754311145 131 O CORE -6.2318129610 -0.9194852300 3.1459501875 132 O SHEL -6.2479253480 -0.9077986176 3.1406534396 133 O CORE -6.9595399888 0.1858468843 0.8868651190 134 O SHEL -6.9770479793 0.1992915501 0.9129265404 135 O CORE -6.9312046205 -2.3283331904 0.9400113872 136 O SHEL -6.9380808788 -2.3374431415 0.9530984916 137 FE CORE -2.9260396049 4.7984853147 2.0037107769 138 FE CORE -2.9260395708 4.8458112162 -2.8109601512 139 P CORE 0.8275499531 -3.9503166824 3.8983715161 140 O CORE 1.5228129264 -2.6948336522 3.1087701374 141 O SHEL 1.5261447844 -2.7131072400 3.1071600255 142 O CORE -0.7369480247 -3.9250233716 3.6182266659 143 O SHEL -0.7689011288 -3.9171645205 3.6575750979 144 O CORE 1.2161731624 -3.9773177897 5.4391440312 145 O SHEL 1.2673427262 -3.9775472534 5.4484524409 146 O CORE 1.6925353120 -5.1039818856 3.1420384667 147 O SHEL 1.7167779783 -5.0704633839 3.1341804662 148 P CORE -1.0917420159 -6.9010841183 -0.1072386578 149 O CORE -1.8949227848 -5.6695944010 0.5553551233 150 O SHEL -1.9124307750 -5.6561497352 0.5292937016 151 O CORE 0.3991510906 -7.0068515064 0.4790876715 152 O SHEL 0.3941473414 -7.0181004308 0.4667891600 153 O CORE -1.1671957250 -6.7749265148 -1.7037299351 154 O SHEL -1.1833081120 -6.7632399025 -1.6984331874 155 O CORE -1.8665874158 -8.1837744757 0.5022088550 156 O SHEL -1.8734636739 -8.1928844268 0.4891217505 157 P CORE -4.2370672035 -3.9503166818 -2.4561512354 158 O CORE -3.5418042414 -2.6948336517 -1.6665498466 159 O SHEL -3.5384723834 -2.7131072395 -1.6649397347 160 O CORE -3.3720818554 -5.1039818852 -1.6998181740 161 O SHEL -3.3478391892 -5.0704633835 -1.6919601731 162 O CORE -5.8015651852 -3.9250233710 -2.1760064074 163 O SHEL -5.8335182888 -3.9171645199 -2.2153548399 164 O CORE -3.8484439723 -3.9773177889 -3.9969237451 165 O SHEL -3.7972744084 -3.9775472525 -4.0062321540 166 P CORE -4.2370672376 -3.9717106434 2.3585196926 167 O CORE -3.3720818895 -2.8180454402 3.1148527543 168 O SHEL -3.3478392233 -2.8515639419 3.1227107551 169 O CORE -3.8484440065 -3.9447095361 0.8177471830 170 O SHEL -3.7972744426 -3.9444800725 0.8084387740 171 O CORE -3.5418042756 -5.2271936737 3.1481210812 172 O SHEL -3.5384724175 -5.2089200859 3.1497311931 173 O CORE -5.8015652194 -3.9970039543 2.6386645206 174 O SHEL -5.8335183230 -4.0048628054 2.5993160882 175 P CORE 5.8921671657 1.8837306420 2.3585197650 176 O CORE 4.3276691839 1.8584373311 2.6386645930 177 O SHEL 4.2957160803 1.8505784800 2.5993161605 178 O CORE 6.5874301277 0.6282476117 3.1481211536 179 O SHEL 6.5907619858 0.6465211995 3.1497312655 180 O CORE 6.2807903968 1.9107317493 0.8177472553 181 O SHEL 6.3319599607 1.9109612129 0.8084388464 182 O CORE 6.7571525138 3.0373958451 3.1148528266 183 O SHEL 6.7813951800 3.0038773435 3.1227108275 184 MN CORE -2.3810084680 -3.8729951590 4.4729750062 185 P CORE 5.8921671998 1.9051246035 -2.4561511631 186 O CORE 4.3276692181 1.9304179143 -2.1760063351 187 O SHEL 4.2957161145 1.9382767655 -2.2153547675 188 O CORE 6.7571525479 0.7514594002 -1.6998181017 189 O SHEL 6.7813952141 0.7849779019 -1.6919601008 190 O CORE 6.5874301619 3.1606076336 -1.6665497743 191 O SHEL 6.5907620199 3.1423340458 -1.6649396623 192 O CORE 6.2807904310 1.8781234965 -3.9969236727 193 O SHEL 6.3319599949 1.8778940329 -4.0062320817 194 LI CORE 0.0000000000 5.8554412853 -2.7999999995 195 LI CORE 0.0000000000 -5.8554412854 -2.8000000006 196 P CORE 0.8275499873 7.7391719276 -0.9162994109 197 O CORE 1.5228129605 6.4836888975 -1.7059007898 198 O SHEL 1.5261448186 6.5019624853 -1.7075109017 199 O CORE 1.2161731966 7.7661730346 0.6244731043 200 O SHEL 1.2673427603 7.7664024982 0.6337815139 201 O CORE -0.7369479905 7.7138786168 -1.1964442611 202 O SHEL -0.7689010947 7.7060197657 -1.1570958291 203 O CORE 1.6925353461 8.8928371309 -1.6726324600 204 O SHEL 1.7167780124 8.8593186292 -1.6804904605 205 P CORE 3.9728751740 4.8097984523 1.5494589836 206 O CORE 3.1980297828 3.5271080949 0.9400114596 207 O SHEL 3.1911535245 3.5179981439 0.9530985640 208 O CORE 3.8974214423 4.9359560554 3.1459502599 209 O SHEL 3.8813090553 4.9476426678 3.1406535120 210 O CORE 3.1696944145 6.0412881697 0.8868651913 211 O SHEL 3.1521864240 6.0547328355 0.9129266128 212 O CORE 5.4637682889 4.7040310642 0.9631326755 213 O SHEL 5.4587645395 4.6927821398 0.9754311869 214 P CORE 3.9728752082 4.8344980787 -3.2652119444 215 O CORE 3.8974214764 4.7083404753 -1.6687206682 216 O SHEL 3.8813090895 4.6966538629 -1.6740174161 217 O CORE 3.1696944487 3.6030083614 -3.9278057370 218 O SHEL 3.1521864581 3.5895636956 -3.9017443155 219 O CORE 3.1980298170 6.1171884362 -3.8746594682 220 O SHEL 3.1911535586 6.1262983872 -3.8615723638 221 O CORE 5.4637683230 4.9402654668 -3.8515382526 222 O SHEL 5.4587645736 4.9515143912 -3.8392397412 223 LI CORE 5.0646171858 3.7888552458 -0.5724505862 224 LI CORE -5.0646172175 3.7888552458 -0.5724506580 225 MN CORE -2.3810083997 -3.8729951581 -5.1563668499 226 FE CORE -7.9906567884 -1.0569559705 -0.5614905483 227 FE CORE 2.1385776149 -6.9123972558 -0.5614904771 228 FE CORE 2.1385775808 4.8458112156 4.2531804521 229 FE CORE 7.2031947984 -1.0569559707 2.0037108481 230 MN CORE -7.4456256505 1.8064091185 1.7839161576 231 MN CORE 2.6836087186 1.9824461262 6.5985871574 232 LI CORE 5.0646171517 -0.0000000007 4.2422203415 233 LI CORE -5.0646172516 -0.0000000007 4.2422202697 234 P CORE -6.1563591951 -1.0209432067 -3.2652120168 235 O CORE -6.2318129269 -1.1471008101 -1.6687207405 236 O SHEL -6.2479253138 -1.1587874225 -1.6740174884 237 O CORE -4.6654660803 -0.9151758185 -3.8515383249 238 O SHEL -4.6704698297 -0.9039268941 -3.8392398135 239 O CORE -6.9312045863 0.2617471508 -3.8746595406 240 O SHEL -6.9380808447 0.2708571019 -3.8615724362 241 O CORE -6.9595399546 -2.2524329239 -3.9278058093 242 O SHEL -6.9770479452 -2.2658775897 -3.9017443878 243 P CORE -1.0917420500 4.8344980780 4.7074322714 244 O CORE -1.8949228190 3.6030083606 5.3700260523 245 O SHEL -1.9124308091 3.5895636948 5.3439646305 246 O CORE -1.1671957592 4.7083404748 3.1109409940 247 O SHEL -1.1833081461 4.6966538625 3.1162377417 248 O CORE 0.3991510565 4.9402654660 5.2937586006 249 O SHEL 0.3941473073 4.9515143904 5.2814600892 250 O CORE -1.8665874499 6.1171884353 5.3168797844 251 O SHEL -1.8734637080 6.1262983864 5.3037926799 252 MN CORE 7.7482259695 1.8064091187 -0.3416958495 253 LI CORE 0.0000000342 -2.0665860389 -7.6146709282 254 P CORE 0.8275500214 -3.9503166815 -5.7309703400 255 O CORE 1.2161732307 -3.9773177888 -4.1901978249 256 O SHEL 1.2673427945 -3.9775472525 -4.1808894152 257 O CORE -0.7369479564 -3.9250233707 -6.0111151902 258 O SHEL -0.7689010605 -3.9171645196 -5.9717667582 259 O CORE 1.5228129947 -2.6948336513 -6.5205717187 260 O SHEL 1.5261448527 -2.7131072391 -6.5221818306 261 O CORE 1.6925353803 -5.1039818847 -6.4873033894 262 O SHEL 1.7167780466 -5.0704633830 -6.4951613899 263 FE CORE -2.9260396391 -1.0096300700 6.8183817044 264 P CORE -1.0917419817 4.8344980789 -4.9219095847 265 O CORE -1.8949227507 3.6030083615 -4.2593158038 266 O SHEL -1.9124307408 3.5895636957 -4.2853772256 267 O CORE 0.3991511248 4.9402654669 -4.3355832555 268 O SHEL 0.3941473756 4.9515143913 -4.3478817669 269 O CORE -1.8665873816 6.1171884362 -4.3124620717 270 O SHEL -1.8734636397 6.1262983873 -4.3255491762 271 O CORE -1.1671956909 4.7083404757 -6.5184008621 272 O SHEL -1.1833080778 4.6966538634 -6.5131041144 273 FE CORE -2.9260395708 -6.8650713545 -2.8109601523 274 FE CORE -2.9260396049 -6.9123972560 2.0037107758 275 P CORE 5.8921671998 -3.9503166818 -2.4561511636 276 O CORE 4.3276692181 -3.9250233710 -2.1760063356 277 O SHEL 4.2957161145 -3.9171645199 -2.2153547681 278 O CORE 6.5874301619 -2.6948336517 -1.6665497748 279 O SHEL 6.5907620199 -2.7131072395 -1.6649396629 280 O CORE 6.7571525479 -5.1039818852 -1.6998181022 281 O SHEL 6.7813952141 -5.0704633835 -1.6919601013 282 O CORE 6.2807904310 -3.9773177889 -3.9969236733 283 O SHEL 6.3319599949 -3.9775472525 -4.0062320822 284 P CORE 5.8921671657 -3.9717106434 2.3585197644 285 O CORE 4.3276691839 -3.9970039543 2.6386645924 286 O SHEL 4.2957160803 -4.0048628054 2.5993161600 287 O CORE 6.7571525138 -2.8180454402 3.1148528261 288 O SHEL 6.7813951800 -2.8515639419 3.1227108269 289 O CORE 6.2807903968 -3.9447095361 0.8177472548 290 O SHEL 6.3319599607 -3.9444800725 0.8084388458 291 O CORE 6.5874301277 -5.2271936737 3.1481211530 292 O SHEL 6.5907619858 -5.2089200859 3.1497312649 293 LI CORE -0.0000000341 -7.9220273251 2.0146709273 294 FE CORE 7.2031948325 -1.0096300691 -2.8109600799 295 MN CORE -2.3810084338 7.6618504041 -0.3416959208 296 P CORE 9.0374923874 -1.0456428329 -0.1072385855 297 O CORE 8.2343116185 0.1858468843 0.5553551957 298 O SHEL 8.2168036283 0.1992915501 0.5292937740 299 O CORE 8.2626469875 -2.3283331904 0.5022089273 300 O SHEL 8.2557707294 -2.3374431415 0.4891218228 301 O CORE 8.9620386783 -0.9194852295 -1.7037298628 302 O SHEL 8.9459262913 -0.9077986171 -1.6984331151 303 O CORE 10.5283854939 -1.1514102211 0.4790877438 304 O SHEL 10.5233817447 -1.1626591455 0.4667892324 305 FE CORE 2.1385776491 4.8458112165 -5.3761614040 306 P CORE 3.9728751399 -1.0209432076 6.3641299111 307 O CORE 3.1980297487 0.2617471499 5.7546823873 308 O SHEL 3.1911534903 0.2708571010 5.7677694917 309 O CORE 3.1696943804 -2.2524329248 5.7015361186 310 O SHEL 3.1521863898 -2.2658775906 5.7275975401 311 O CORE 5.4637682547 -0.9151758194 5.7778036030 312 O SHEL 5.4587645053 -0.9039268950 5.7901021144 313 O CORE 3.8974214081 -1.1471008110 7.9606211874 314 O SHEL 3.8813090212 -1.1587874234 7.9553244395 315 MN CORE 2.6836087528 7.6618504039 1.7839162299 316 LI CORE 5.0646172200 0.0000000002 -5.3871215146 317 LI CORE -5.0646171833 0.0000000002 -5.3871215864 318 MN CORE 2.6836087186 -3.8729951592 6.5985871569 319 MN CORE -7.4456256164 1.9824461271 -3.0307547705 320 MN CORE 2.6836088211 1.8064091194 -7.8454256267 321 FE CORE -2.9260395366 -1.0569559698 -7.6256310798 322 P CORE 0.8275499190 1.8837306414 8.7130424447 323 O CORE 1.5228128922 0.6282476112 7.9234410657 324 O SHEL 1.5261447503 0.6465211991 7.9218309538 325 O CORE -0.7369480588 1.8584373306 8.4328975945 326 O SHEL -0.7689011630 1.8505784794 8.4722460265 327 O CORE 1.6925352778 3.0373958447 7.9567093955 328 O SHEL 1.7167779441 3.0038773430 7.9488513950 329 O CORE 1.2161731283 1.9107317484 10.2538149598 330 O SHEL 1.2673426920 1.9109612120 10.2631233695 331 P CORE -1.0917420842 -1.0456428338 9.5221031988 332 O CORE -1.1671957933 -0.9194852304 7.9256119215 333 O SHEL -1.1833081803 -0.9077986180 7.9309086692 334 O CORE 0.3991510223 -1.1514102220 10.1084295281 335 O SHEL 0.3941472731 -1.1626591464 10.0961310167 336 O CORE -1.8949228531 0.1858468834 10.1846969800 337 O SHEL -1.9124308433 0.1992915492 10.1586355583 338 O CORE -1.8665874841 -2.3283331913 10.1315507116 339 O SHEL -1.8734637422 -2.3374431424 10.1184636071 340 P CORE 0.8275499873 -9.8271519284 -0.9162994125 341 O CORE 1.6925353461 -8.6734867251 -1.6726324617 342 O SHEL 1.7167780124 -8.7070052268 -1.6804904622 343 O CORE 1.2161731966 -9.8001508214 0.6244731026 344 O SHEL 1.2673427603 -9.7999213578 0.6337815123 345 O CORE -0.7369479905 -9.8524452392 -1.1964442627 346 O SHEL -0.7689010947 -9.8603040904 -1.1570958307 347 O CORE 1.5228129605 -11.0826349586 -1.7059007915 348 O SHEL 1.5261448186 -11.0643613707 -1.7075109034 349 P CORE -1.0917419476 -1.0456428320 -9.7365805134 350 O CORE 0.3991511589 -1.1514102202 -9.1502541841 351 O SHEL 0.3941474097 -1.1626591446 -9.1625526955 352 O CORE -1.8949227165 0.1858468852 -9.0739867322 353 O SHEL -1.9124307067 0.1992915510 -9.1000481539 354 O CORE -1.8665873475 -2.3283331895 -9.1271330006 355 O SHEL -1.8734636056 -2.3374431406 -9.1402201051 356 O CORE -1.1671956567 -0.9194852286 -11.3330717907 357 O SHEL -1.1833080437 -0.9077986162 -11.3277750430 358 P CORE 3.9728752082 -6.8763844920 -3.2652119455 359 O CORE 3.8974214764 -7.0025420954 -1.6687206693 360 O SHEL 3.8813090895 -7.0142287078 -1.6740174172 361 O CORE 3.1980298170 -5.5936941345 -3.8746594693 362 O SHEL 3.1911535586 -5.5845841835 -3.8615723649 363 O CORE 5.4637683230 -6.7706171039 -3.8515382537 364 O SHEL 5.4587645736 -6.7593681795 -3.8392397423 365 O CORE 3.1696944487 -8.1078742093 -3.9278057381 366 O SHEL 3.1521864581 -8.1213188751 -3.9017443166 367 MN CORE 2.6836087869 7.8378874124 -3.0307546981 368 P CORE 3.9728751740 -6.9010841184 1.5494589825 369 O CORE 3.1696944145 -5.6695944010 0.8868651902 370 O SHEL 3.1521864240 -5.6561497352 0.9129266117 371 O CORE 3.8974214423 -6.7749265153 3.1459502588 372 O SHEL 3.8813090553 -6.7632399029 3.1406535109 373 O CORE 3.1980297828 -8.1837744758 0.9400114585 374 O SHEL 3.1911535245 -8.1928844268 0.9530985629 375 O CORE 5.4637682889 -7.0068515065 0.9631326744 376 O SHEL 5.4587645395 -7.0181004309 0.9754311858 377 LI CORE 5.0646171517 5.8554412847 4.2422203420 378 LI CORE 5.0646171517 -5.8554412860 4.2422203409 379 LI CORE -5.0646172516 5.8554412847 4.2422202702 380 LI CORE -5.0646172516 -5.8554412860 4.2422202691 381 P CORE -6.1563592293 4.8097984523 1.5494589118 382 O CORE -4.6654661144 4.7040310642 0.9631326037 383 O SHEL -4.6704698638 4.6927821398 0.9754311151 384 O CORE -6.2318129610 4.9359560554 3.1459501881 385 O SHEL -6.2479253480 4.9476426678 3.1406534402 386 O CORE -6.9312046205 3.5271080949 0.9400113878 387 O SHEL -6.9380808788 3.5179981439 0.9530984922 388 O CORE -6.9595399888 6.0412881697 0.8868651195 389 O SHEL -6.9770479793 6.0547328355 0.9129265410 390 P CORE -6.1563591951 4.8344980787 -3.2652120162 391 O CORE -6.2318129269 4.7083404753 -1.6687207400 392 O SHEL -6.2479253138 4.6966538629 -1.6740174879 393 O CORE -4.6654660803 4.9402654668 -3.8515383244 394 O SHEL -4.6704698297 4.9515143912 -3.8392398130 395 O CORE -6.9595399546 3.6030083614 -3.9278058088 396 O SHEL -6.9770479452 3.5895636956 -3.9017443873 397 O CORE -6.9312045863 6.1171884362 -3.8746595400 398 O SHEL -6.9380808447 6.1262983872 -3.8615724356 399 FE CORE 2.1385775808 -6.8650713551 4.2531804510 400 P CORE -9.3016844160 1.8837306423 -0.9162994832 401 O CORE -8.9130612067 1.9107317493 0.6244730319 402 O SHEL -8.8618916430 1.9109612129 0.6337814416 403 O CORE -8.6064214428 0.6282476121 -1.7059008622 404 O SHEL -8.6030895847 0.6465212000 -1.7075109741 405 O CORE -8.4366990572 3.0373958456 -1.6726325324 406 O SHEL -8.4124563909 3.0038773439 -1.6804905329 407 O CORE -10.8661823938 1.8584373315 -1.1964443334 408 O SHEL -10.8981354980 1.8505784803 -1.1570959014 409 P CORE 3.9728751399 4.8344980778 6.3641299117 410 O CORE 3.1696943804 3.6030083605 5.7015361191 411 O SHEL 3.1521863898 3.5895636947 5.7275975406 412 O CORE 3.1980297487 6.1171884353 5.7546823879 413 O SHEL 3.1911534903 6.1262983863 5.7677694923 414 O CORE 5.4637682547 4.9402654659 5.7778036035 415 O SHEL 5.4587645053 4.9515143903 5.7901021149 416 O CORE 3.8974214081 4.7083404744 7.9606211879 417 O SHEL 3.8813090212 4.6966538620 7.9553244400 418 FE CORE 2.1385775466 -1.0569559714 9.0678513796 419 LI CORE 5.0646172200 5.8554412856 -5.3871215141 420 LI CORE 5.0646172200 -5.8554412851 -5.3871215152 421 LI CORE -5.0646171833 5.8554412856 -5.3871215859 422 LI CORE -5.0646171833 -5.8554412851 -5.3871215870 423 MN CORE -7.4456256164 -3.8729951583 -3.0307547710 424 LI CORE 0.0000000342 3.7888552465 -7.6146709277 425 P CORE -4.2370672718 1.9051246026 7.1731906212 426 O CORE -3.8484440406 1.8781234956 5.6324181116 427 O SHEL -3.7972744767 1.8778940320 5.6231097026 428 O CORE -3.3720819237 0.7514593993 7.9295236826 429 O SHEL -3.3478392575 0.7849779010 7.9373816835 430 O CORE -3.5418043097 3.1606076327 7.9627920100 431 O SHEL -3.5384724517 3.1423340449 7.9644021220 432 O CORE -5.8015652535 1.9304179134 7.4533354492 433 O SHEL -5.8335183571 1.9382767646 7.4139870168 434 P CORE -4.2370672718 -3.9503166827 7.1731906207 435 O CORE -3.8484440406 -3.9773177898 5.6324181110 436 O SHEL -3.7972744767 -3.9775472534 5.6231097021 437 O CORE -3.5418043097 -2.6948336526 7.9627920095 438 O SHEL -3.5384724517 -2.7131072404 7.9644021214 439 O CORE -3.3720819237 -5.1039818861 7.9295236821 440 O SHEL -3.3478392575 -5.0704633844 7.9373816830 441 O CORE -5.8015652535 -3.9250233719 7.4533354487 442 O SHEL -5.8335183571 -3.9171645208 7.4139870162 443 MN CORE -7.4456256505 -4.0490321668 1.7839161570 444 P CORE -4.2370671693 1.8837306429 -7.2708221629 445 O CORE -3.5418042073 0.6282476126 -6.4812207743 446 O SHEL -3.5384723492 0.6465212004 -6.4796106624 447 O CORE -3.3720818212 3.0373958460 -6.5144891013 448 O SHEL -3.3478391550 3.0038773444 -6.5066311004 449 O CORE -5.8015651511 1.8584373320 -6.9906773349 450 O SHEL -5.8335182547 1.8505784809 -7.0300257674 451 O CORE -3.8484439382 1.9107317502 -8.8115946726 452 O SHEL -3.7972743743 1.9109612138 -8.8209030815 453 P CORE -4.2370671693 -3.9717106425 -7.2708221635 454 O CORE -3.3720818212 -2.8180454393 -6.5144891018 455 O SHEL -3.3478391550 -2.8515639410 -6.5066311010 456 O CORE -3.5418042073 -5.2271936728 -6.4812207749 457 O SHEL -3.5384723492 -5.2089200850 -6.4796106630 458 O CORE -5.8015651511 -3.9970039534 -6.9906773355 459 O SHEL -5.8335182547 -4.0048628045 -7.0300257679 460 O CORE -3.8484439382 -3.9447095352 -8.8115946731 461 O SHEL -3.7972743743 -3.9444800716 -8.8209030821 462 P CORE -1.0917420500 -6.8763844927 4.7074322703 463 O CORE -1.8665874499 -5.5936941354 5.3168797833 464 O SHEL -1.8734637080 -5.5845841843 5.3037926788 465 O CORE -1.1671957592 -7.0025420959 3.1109409929 466 O SHEL -1.1833081461 -7.0142287082 3.1162377406 467 O CORE 0.3991510565 -6.7706171047 5.2937585995 468 O SHEL 0.3941473073 -6.7593681803 5.2814600881 469 O CORE -1.8949228190 -8.1078742101 5.3700260512 470 O SHEL -1.9124308091 -8.1213188759 5.3439646294 471 P CORE 0.8275499531 7.7605658883 3.8983715172 472 O CORE 1.6925353120 6.6069006851 3.1420384678 473 O SHEL 1.7167779783 6.6404191868 3.1341804673 474 O CORE -0.7369480247 7.7858591991 3.6182266670 475 O SHEL -0.7689011288 7.7937180502 3.6575750990 476 O CORE 1.2161731624 7.7335647810 5.4391440323 477 O SHEL 1.2673427262 7.7333353173 5.4484524420 478 O CORE 1.5228129264 9.0160489185 3.1087701385 479 O SHEL 1.5261447844 8.9977753307 3.1071600266 480 LI CORE -0.0000000341 9.6442965309 2.0146709290 481 FE CORE -2.9260396391 4.8458112153 6.8183817049 482 MN CORE -2.3810085021 1.8064091178 9.2876459348 483 P CORE -1.0917420159 10.6652397378 -0.1072386562 484 O CORE -1.8665874158 9.3825493803 0.5022088566 485 O SHEL -1.8734636739 9.3734394292 0.4891217521 486 O CORE 0.3991510906 10.5594723496 0.4790876731 487 O SHEL 0.3941473414 10.5482234252 0.4667891617 488 O CORE -1.1671957250 10.7913973412 -1.7037299335 489 O SHEL -1.1833081120 10.8030839536 -1.6984331858 490 O CORE -1.8949227848 11.8967294550 0.5553551250 491 O SHEL -1.9124307750 11.9101741208 0.5292937033 492 MN CORE 7.7482259695 -4.0490321666 -0.3416958501 493 P CORE -1.0917419817 -6.8763844918 -4.9219095858 494 O CORE -1.8665873816 -5.5936941345 -4.3124620728 495 O SHEL -1.8734636397 -5.5845841834 -4.3255491773 496 O CORE 0.3991511248 -6.7706171038 -4.3355832566 497 O SHEL 0.3941473756 -6.7593681794 -4.3478817680 498 O CORE -1.8949227507 -8.1078742092 -4.2593158049 499 O SHEL -1.9124307408 -8.1213188750 -4.2853772267 500 O CORE -1.1671956909 -7.0025420950 -6.5184008632 501 O SHEL -1.1833080778 -7.0142287073 -6.5131041155 502 MN CORE 2.6836088211 -4.0490321659 -7.8454256273 503 P CORE -4.2370672376 7.7391719273 2.3585196937 504 O CORE -3.5418042756 6.4836888970 3.1481210823 505 O SHEL -3.5384724175 6.5019624848 3.1497311942 506 O CORE -3.8484440065 7.7661730346 0.8177471841 507 O SHEL -3.7972744426 7.7664024982 0.8084387751 508 O CORE -3.3720818895 8.8928371305 3.1148527554 509 O SHEL -3.3478392233 8.8593186288 3.1227107562 510 O CORE -5.8015652194 7.7138786164 2.6386645217 511 O SHEL -5.8335183230 7.7060197653 2.5993160893 512 P CORE -4.2370672035 7.7605658889 -2.4561512343 513 O CORE -3.3720818554 6.6069006855 -1.6998181729 514 O SHEL -3.3478391892 6.6404191872 -1.6919601720 515 O CORE -3.5418042414 9.0160489190 -1.6665498455 516 O SHEL -3.5384723834 8.9977753312 -1.6649397336 517 O CORE -5.8015651852 7.7858591997 -2.1760064063 518 O SHEL -5.8335182888 7.7937180508 -2.2153548388 519 O CORE -3.8484439723 7.7335647818 -3.9969237440 520 O SHEL -3.7972744084 7.7333353182 -4.0062321529 521 FE CORE 7.2031947984 4.7984853147 2.0037108487 522 FE CORE 7.2031948325 4.8458112162 -2.8109600794 523 P CORE 3.9728752423 -1.0456428322 -8.0798828730 524 O CORE 3.8974215106 -0.9194852291 -6.4833915968 525 O SHEL 3.8813091236 -0.9077986167 -6.4886883447 526 O CORE 3.1696944828 0.1858468852 -8.7424766653 527 O SHEL 3.1521864923 0.1992915510 -8.7164152439 528 O CORE 3.1980298511 -2.3283331895 -8.6893303971 529 O SHEL 3.1911535928 -2.3374431406 -8.6762432927 530 O CORE 5.4637683572 -1.1514102202 -8.6662091812 531 O SHEL 5.4587646078 -1.1626591446 -8.6539106698 532 LI CORE 10.1292343692 -2.0665860398 2.0146709997 533 LI CORE -10.1292344374 -2.0665860398 2.0146708561 534 MN CORE 7.7482259353 1.9824461264 4.4729750786 535 MN CORE 7.7482259353 -3.8729951590 4.4729750780 536 FE CORE 2.1385776491 -6.8650713542 -5.3761614051 537 FE CORE -7.9906568225 -1.0096300698 4.2531803797 538 P CORE -11.2209764192 -1.0456428329 -0.1072387291 539 O CORE -9.7300833127 -1.1514102211 0.4790876002 540 O SHEL -9.7350870619 -1.1626591455 0.4667890888 541 O CORE -11.2964301283 -0.9194852295 -1.7037300064 542 O SHEL -11.3125425153 -0.9077986171 -1.6984332587 543 O CORE -12.0241571881 0.1858468843 0.5553550521 544 O SHEL -12.0416651783 0.1992915501 0.5292936304 545 O CORE -11.9958218191 -2.3283331904 0.5022087837 546 O SHEL -12.0026980772 -2.3374431415 0.4891216792 547 MN CORE -2.3810084338 -9.9044734520 -0.3416959224 548 MN CORE -2.3810084680 7.8378874117 4.4729750073 549 FE CORE 2.1385776832 -1.0569559696 -10.1908323326 550 MN CORE -2.3810083655 1.8064091196 -9.9710377774 551 FE CORE -2.9260395366 4.7984853156 -7.6256310792 552 P CORE 0.8275500556 1.8837306432 -10.5456412675 553 O CORE 1.2161732649 1.9107317502 -9.0048687524 554 O SHEL 1.2673428286 1.9109612138 -8.9955603427 555 O CORE -0.7369479222 1.8584373324 -10.8257861177 556 O SHEL -0.7689010264 1.8505784812 -10.7864376857 557 O CORE 1.5228130288 0.6282476130 -11.3352426465 558 O SHEL 1.5261448869 0.6465212009 -11.3368527584 559 O CORE 1.6925354144 3.0373958465 -11.3019743167 560 O SHEL 1.7167780807 3.0038773448 -11.3098323172 561 LI CORE 0.0000000683 0.0000000009 -12.4293418561 562 P CORE -6.1563592634 -1.0209432076 6.3641298393 563 O CORE -4.6654661486 -0.9151758194 5.7778035312 564 O SHEL -4.6704698980 -0.9039268950 5.7901020426 565 O CORE -6.9312046546 0.2617471499 5.7546823155 566 O SHEL -6.9380809130 0.2708571010 5.7677694199 567 O CORE -6.9595400229 -2.2524329248 5.7015360468 568 O SHEL -6.9770480135 -2.2658775906 5.7275974683 569 O CORE -6.2318129952 -1.1471008110 7.9606211156 570 O SHEL -6.2479253821 -1.1587874234 7.9553243677 571 P CORE -6.1563592634 4.8344980778 6.3641298399 572 O CORE -4.6654661486 4.9402654659 5.7778035317 573 O SHEL -4.6704698980 4.9515143903 5.7901020431 574 O CORE -6.9595400229 3.6030083605 5.7015360473 575 O SHEL -6.9770480135 3.5895636947 5.7275974688 576 O CORE -6.2318129952 4.7083404744 7.9606211161 577 O SHEL -6.2479253821 4.6966538620 7.9553243682 578 O CORE -6.9312046546 6.1171884353 5.7546823161 579 O SHEL -6.9380809130 6.1262983863 5.7677694205 580 MN CORE 2.6836087528 -9.9044734522 1.7839162283 581 LI CORE -0.0000000683 5.8554412844 6.8293418566 582 LI CORE -0.0000000683 -5.8554412863 6.8293418555 583 P CORE 0.8275499190 -3.9717106440 8.7130424441 584 O CORE 1.6925352778 -2.8180454407 7.9567093950 585 O SHEL 1.7167779441 -2.8515639424 7.9488513945 586 O CORE -0.7369480588 -3.9970039548 8.4328975939 587 O SHEL -0.7689011630 -4.0048628059 8.4722460259 588 O CORE 1.5228128922 -5.2271936741 7.9234410652 589 O SHEL 1.5261447503 -5.2089200863 7.9218309533 590 O CORE 1.2161731283 -3.9447095370 10.2538149593 591 O SHEL 1.2673426920 -3.9444800734 10.2631233689 592 MN CORE 2.6836087869 -9.7284364436 -3.0307546998 593 FE CORE -7.9906567884 4.7984853149 -0.5614905478 594 FE CORE 2.1385776149 10.6539266002 -0.5614904754 595 FE CORE -7.9906568225 4.8458112156 4.2531803803 596 P CORE 10.9567843906 1.8837306423 -0.9162993396 597 O CORE 9.3922864128 1.8584373315 -1.1964441898 598 O SHEL 9.3603333086 1.8505784803 -1.1570957578 599 O CORE 11.3454075999 1.9107317493 0.6244731755 600 O SHEL 11.3965771636 1.9109612129 0.6337815852 601 O CORE 11.6520473638 0.6282476121 -1.7059007186 602 O SHEL 11.6553792219 0.6465212000 -1.7075108305 603 O CORE 11.8217697494 3.0373958456 -1.6726323888 604 O SHEL 11.8460124157 3.0038773439 -1.6804903893 605 P CORE 3.9728752423 4.8097984532 -8.0798828725 606 O CORE 3.8974215106 4.9359560563 -6.4833915962 607 O SHEL 3.8813091236 4.9476426687 -6.4886883441 608 O CORE 3.1980298511 3.5271080958 -8.6893303965 609 O SHEL 3.1911535928 3.5179981448 -8.6762432921 610 O CORE 3.1696944828 6.0412881706 -8.7424766648 611 O SHEL 3.1521864923 6.0547328364 -8.7164152433 612 O CORE 5.4637683572 4.7040310651 -8.6662091806 613 O SHEL 5.4587646078 4.6927821407 -8.6539106692 614 MN CORE 7.7482260036 1.9824461273 -5.1563667775 615 MN CORE 7.7482260036 -3.8729951581 -5.1563667781 616 LI CORE 10.1292344033 0.0000000000 -2.7999999282 617 LI CORE -10.1292344033 0.0000000000 -2.8000000718 618 LI CORE 5.0646171858 -7.9220273249 -0.5724505873 619 LI CORE -5.0646172175 -7.9220273249 -0.5724506591 620 MN CORE -2.3810083997 7.8378874126 -5.1563668488 621 P CORE -6.1563591951 -6.8763844920 -3.2652120173 622 O CORE -6.2318129269 -7.0025420954 -1.6687207411 623 O SHEL -6.2479253138 -7.0142287078 -1.6740174890 624 O CORE -4.6654660803 -6.7706171039 -3.8515383255 625 O SHEL -4.6704698297 -6.7593681795 -3.8392398141 626 O CORE -6.9312045863 -5.5936941345 -3.8746595411 627 O SHEL -6.9380808447 -5.5845841835 -3.8615724367 628 O CORE -6.9595399546 -8.1078742093 -3.9278058099 629 O SHEL -6.9770479452 -8.1213188751 -3.9017443884 630 P CORE -6.1563592293 -6.9010841184 1.5494589107 631 O CORE -4.6654661144 -7.0068515065 0.9631326026 632 O SHEL -4.6704698638 -7.0181004309 0.9754311140 633 O CORE -6.9595399888 -5.6695944010 0.8868651184 634 O SHEL -6.9770479793 -5.6561497352 0.9129265399 635 O CORE -6.2318129610 -6.7749265153 3.1459501870 636 O SHEL -6.2479253480 -6.7632399029 3.1406534391 637 O CORE -6.9312046205 -8.1837744758 0.9400113867 638 O SHEL -6.9380808788 -8.1928844268 0.9530984911 639 P CORE 5.8921671315 1.9051246026 7.1731906930 640 O CORE 4.3276691498 1.9304179134 7.4533355210 641 O SHEL 4.2957160462 1.9382767646 7.4139870886 642 O CORE 6.2807903627 1.8781234956 5.6324181834 643 O SHEL 6.3319599266 1.8778940320 5.6231097744 644 O CORE 6.7571524796 0.7514593993 7.9295237544 645 O SHEL 6.7813951458 0.7849779010 7.9373817553 646 O CORE 6.5874300936 3.1606076327 7.9627920818 647 O SHEL 6.5907619516 3.1423340449 7.9644021938 648 P CORE 5.8921671315 -3.9503166827 7.1731906925 649 O CORE 4.3276691498 -3.9250233719 7.4533355205 650 O SHEL 4.2957160462 -3.9171645208 7.4139870880 651 O CORE 6.2807903627 -3.9773177898 5.6324181828 652 O SHEL 6.3319599266 -3.9775472534 5.6231097739 653 O CORE 6.5874300936 -2.6948336526 7.9627920813 654 O SHEL 6.5907619516 -2.7131072404 7.9644021932 655 O CORE 6.7571524796 -5.1039818861 7.9295237539 656 O SHEL 6.7813951458 -5.0704633844 7.9373817548 657 P CORE 5.8921672340 1.8837306429 -7.2708220911 658 O CORE 4.3276692522 1.8584373320 -6.9906772631 659 O SHEL 4.2957161486 1.8505784809 -7.0300256956 660 O CORE 6.5874301960 0.6282476126 -6.4812207025 661 O SHEL 6.5907620541 0.6465212004 -6.4796105906 662 O CORE 6.7571525821 3.0373958460 -6.5144890295 663 O SHEL 6.7813952483 3.0038773444 -6.5066310286 664 O CORE 6.2807904651 1.9107317502 -8.8115946008 665 O SHEL 6.3319600290 1.9109612138 -8.8209030097 666 P CORE 5.8921672340 -3.9717106425 -7.2708220917 667 O CORE 4.3276692522 -3.9970039534 -6.9906772637 668 O SHEL 4.2957161486 -4.0048628045 -7.0300256961 669 O CORE 6.7571525821 -2.8180454393 -6.5144890300 670 O SHEL 6.7813952483 -2.8515639410 -6.5066310292 671 O CORE 6.5874301960 -5.2271936728 -6.4812207031 672 O SHEL 6.5907620541 -5.2089200850 -6.4796105912 673 O CORE 6.2807904651 -3.9447095352 -8.8115946013 674 O SHEL 6.3319600290 -3.9444800716 -8.8209030103 675 P CORE -9.3016844502 1.9051246029 3.8983714448 676 O CORE -8.4366990913 0.7514593998 3.1420383955 677 O SHEL -8.4124564250 0.7849779014 3.1341803950 678 O CORE -8.6064214769 3.1606076332 3.1087700661 679 O SHEL -8.6030896189 3.1423340454 3.1071599542 680 O CORE -8.9130612409 1.8781234956 5.4391439600 681 O SHEL -8.8618916771 1.8778940320 5.4484523696 682 O CORE -10.8661824280 1.9304179138 3.6182265946 683 O SHEL -10.8981355321 1.9382767649 3.6575750266 684 P CORE 3.9728751399 -6.8763844929 6.3641299106 685 O CORE 3.1980297487 -5.5936941354 5.7546823868 686 O SHEL 3.1911534903 -5.5845841844 5.7677694912 687 O CORE 3.1696943804 -8.1078742102 5.7015361180 688 O SHEL 3.1521863898 -8.1213188760 5.7275975395 689 O CORE 5.4637682547 -6.7706171048 5.7778036024 690 O SHEL 5.4587645053 -6.7593681804 5.7901021138 691 O CORE 3.8974214081 -7.0025420963 7.9606211868 692 O SHEL 3.8813090212 -7.0142287087 7.9553244389 693 P CORE -6.1563592634 -6.8763844929 6.3641298388 694 O CORE -4.6654661486 -6.7706171048 5.7778035306 695 O SHEL -4.6704698980 -6.7593681804 5.7901020420 696 O CORE -6.9312046546 -5.5936941354 5.7546823150 697 O SHEL -6.9380809130 -5.5845841844 5.7677694194 698 O CORE -6.2318129952 -7.0025420963 7.9606211150 699 O SHEL -6.2479253821 -7.0142287087 7.9553243671 700 O CORE -6.9595400229 -8.1078742102 5.7015360462 701 O SHEL -6.9770480135 -8.1213188760 5.7275974677 702 P CORE -9.3016844502 -3.9503166824 3.8983714443 703 O CORE -8.6064214769 -2.6948336522 3.1087700656 704 O SHEL -8.6030896189 -2.7131072400 3.1071599537 705 O CORE -8.4366990913 -5.1039818856 3.1420383949 706 O SHEL -8.4124564250 -5.0704633839 3.1341803944 707 O CORE -8.9130612409 -3.9773177897 5.4391439594 708 O SHEL -8.8618916771 -3.9775472534 5.4484523691 709 O CORE -10.8661824280 -3.9250233716 3.6182265941 710 O SHEL -10.8981355321 -3.9171645205 3.6575750261 711 P CORE -9.3016844160 -3.9717106431 -0.9162994838 712 O CORE -8.4366990572 -2.8180454398 -1.6726325329 713 O SHEL -8.4124563909 -2.8515639415 -1.6804905334 714 O CORE -8.9130612067 -3.9447095361 0.6244730314 715 O SHEL -8.8618916430 -3.9444800725 0.6337814410 716 O CORE -8.6064214428 -5.2271936732 -1.7059008627 717 O SHEL -8.6030895847 -5.2089200854 -1.7075109746 718 O CORE -10.8661823938 -3.9970039539 -1.1964443340 719 O SHEL -10.8981354980 -4.0048628050 -1.1570959020 720 FE CORE 12.2678120182 -1.0569559705 -0.5614904047 721 MN CORE -2.3810085021 -4.0490321675 9.2876459342 722 FE CORE -7.9906567542 -1.0096300689 -5.3761614764 723 FE CORE -7.9906567542 4.8458112165 -5.3761614758 724 P CORE 0.8275500214 7.7605658892 -5.7309703389 725 O CORE 1.2161732307 7.7335647819 -4.1901978238 726 O SHEL 1.2673427945 7.7333353182 -4.1808894141 727 O CORE 1.6925353803 6.6069006860 -6.4873033883 728 O SHEL 1.7167780466 6.6404191877 -6.4951613888 729 O CORE -0.7369479564 7.7858592000 -6.0111151891 730 O SHEL -0.7689010605 7.7937180511 -5.9717667571 731 O CORE 1.5228129947 9.0160489194 -6.5205717176 732 O SHEL 1.5261448527 8.9977753316 -6.5221818295 733 FE CORE -2.9260396049 10.6539266000 2.0037107774 734 FE CORE -2.9260395708 10.7012525016 -2.8109601506 735 P CORE 5.8921671657 7.7391719273 2.3585197655 736 O CORE 4.3276691839 7.7138786164 2.6386645935 737 O SHEL 4.2957160803 7.7060197653 2.5993161611 738 O CORE 6.5874301277 6.4836888970 3.1481211541 739 O SHEL 6.5907619858 6.5019624848 3.1497312660 740 O CORE 6.2807903968 7.7661730346 0.8177472559 741 O SHEL 6.3319599607 7.7664024982 0.8084388469 742 O CORE 6.7571525138 8.8928371305 3.1148528272 743 O SHEL 6.7813951800 8.8593186288 3.1227108280 744 P CORE 5.8921671998 7.7605658889 -2.4561511625 745 O CORE 4.3276692181 7.7858591997 -2.1760063345 746 O SHEL 4.2957161145 7.7937180508 -2.2153547670 747 O CORE 6.7571525479 6.6069006855 -1.6998181011 748 O SHEL 6.7813952141 6.6404191872 -1.6919601002 749 O CORE 6.5874301619 9.0160489190 -1.6665497737 750 O SHEL 6.5907620199 8.9977753312 -1.6649396618 751 O CORE 6.2807904310 7.7335647818 -3.9969236722 752 O SHEL 6.3319599949 7.7333353182 -4.0062320811 753 FE CORE -2.9260396391 -6.8650713554 6.8183817038 754 P CORE 0.8275499531 -9.8057579678 3.8983715155 755 O CORE 1.5228129264 -8.5502749375 3.1087701368 756 O SHEL 1.5261447844 -8.5685485253 3.1071600249 757 O CORE -0.7369480247 -9.7804646569 3.6182266653 758 O SHEL -0.7689011288 -9.7726058058 3.6575750973 759 O CORE 1.2161731624 -9.8327590751 5.4391440307 760 O SHEL 1.2673427262 -9.8329885387 5.4484524403 761 O CORE 1.6925353120 -10.9594231709 3.1420384662 762 O SHEL 1.7167779783 -10.9259046693 3.1341804657 763 LI CORE -0.0000001024 -2.0665860407 11.6440127840 764 P CORE 9.0374923533 -1.0209432074 4.7074323426 765 O CORE 8.2626469534 0.2617471499 5.3168798556 766 O SHEL 8.2557706953 0.2708571010 5.3037927511 767 O CORE 8.2343115843 -2.2524329248 5.3700261235 768 O SHEL 8.2168035942 -2.2658775906 5.3439647018 769 O CORE 8.9620386441 -1.1471008105 3.1109410653 770 O SHEL 8.9459262572 -1.1587874229 3.1162378129 771 O CORE 10.5283854598 -0.9151758194 5.2937586719 772 O SHEL 10.5233817106 -0.9039268950 5.2814601604 773 P CORE 9.0374923874 4.8097984524 -0.1072385849 774 O CORE 8.2626469875 3.5271080950 0.5022089279 775 O SHEL 8.2557707294 3.5179981439 0.4891218234 776 O CORE 8.2343116185 6.0412881697 0.5553551962 777 O SHEL 8.2168036283 6.0547328355 0.5292937745 778 O CORE 8.9620386783 4.9359560559 -1.7037298622 779 O SHEL 8.9459262913 4.9476426682 -1.6984331145 780 O CORE 10.5283854939 4.7040310643 0.4790877444 781 O SHEL 10.5233817447 4.6927821399 0.4667892329 782 P CORE -1.0917420159 -12.7565254036 -0.1072386584 783 O CORE -1.8949227848 -11.5250356864 0.5553551228 784 O SHEL -1.9124307750 -11.5115910206 0.5292937011 785 O CORE 0.3991510906 -12.8622927918 0.4790876709 786 O SHEL 0.3941473414 -12.8735417162 0.4667891595 787 O CORE -1.1671957250 -12.6303678002 -1.7037299357 788 O SHEL -1.1833081120 -12.6186811878 -1.6984331880 789 O CORE -1.8665874158 -14.0392157611 0.5022088544 790 O SHEL -1.8734636739 -14.0483257122 0.4891217499 791 FE CORE 2.1385775466 4.7984853140 9.0678513801 792 P CORE 9.0374923533 4.8344980780 4.7074323432 793 O CORE 8.2343115843 3.6030083606 5.3700261241 794 O SHEL 8.2168035942 3.5895636948 5.3439647023 795 O CORE 8.9620386441 4.7083404748 3.1109410658 796 O SHEL 8.9459262572 4.6966538625 3.1162378135 797 O CORE 8.2626469534 6.1171884353 5.3168798562 798 O SHEL 8.2557706953 6.1262983864 5.3037927517 799 O CORE 10.5283854598 4.9402654660 5.2937586724 800 O SHEL 10.5233817106 4.9515143904 5.2814601610 801 LI CORE 10.1292343692 3.7888552456 2.0146710002 802 LI CORE -10.1292344374 3.7888552456 2.0146708566 803 P CORE 9.0374924216 -1.0209432065 -4.9219095135 804 O CORE 8.2626470217 0.2617471508 -4.3124620005 805 O SHEL 8.2557707636 0.2708571019 -4.3255491050 806 O CORE 8.2343116526 -2.2524329239 -4.2593157326 807 O SHEL 8.2168036625 -2.2658775897 -4.2853771543 808 O CORE 10.5283855281 -0.9151758185 -4.3355831842 809 O SHEL 10.5233817789 -0.9039268941 -4.3478816957 810 O CORE 8.9620387124 -1.1471008096 -6.5184007908 811 O SHEL 8.9459263255 -1.1587874220 -6.5131040432 812 P CORE 9.0374924216 4.8344980789 -4.9219095129 813 O CORE 8.2343116526 3.6030083615 -4.2593157320 814 O SHEL 8.2168036625 3.5895636957 -4.2853771538 815 O CORE 8.2626470217 6.1171884362 -4.3124619999 816 O SHEL 8.2557707636 6.1262983873 -4.3255491044 817 O CORE 10.5283855281 4.9402654669 -4.3355831837 818 O SHEL 10.5233817789 4.9515143913 -4.3478816951 819 O CORE 8.9620387124 4.7083404757 -6.5184007903 820 O SHEL 8.9459263255 4.6966538634 -6.5131040426 821 MN CORE -2.3810083655 -4.0490321657 -9.9710377780 822 FE CORE 7.2031947642 -1.0096300700 6.8183817762 823 FE CORE 7.2031947642 4.8458112153 6.8183817767 824 P CORE -4.2370672035 -9.8057579672 -2.4561512360 825 O CORE -3.5418042414 -8.5502749371 -1.6665498472 826 O SHEL -3.5384723834 -8.5685485249 -1.6649397352 827 O CORE -3.3720818554 -10.9594231705 -1.6998181746 828 O SHEL -3.3478391892 -10.9259046688 -1.6919601737 829 O CORE -5.8015651852 -9.7804646564 -2.1760064080 830 O SHEL -5.8335182888 -9.7726058052 -2.2153548404 831 O CORE -3.8484439723 -9.8327590742 -3.9969237456 832 O SHEL -3.7972744084 -9.8329885378 -4.0062321546 833 MN CORE -7.4456256847 1.9824461262 6.5985870856 834 MN CORE -7.4456256847 -3.8729951592 6.5985870851 835 P CORE -4.2370672376 -9.8271519287 2.3585196921 836 O CORE -3.3720818895 -8.6734867256 3.1148527537 837 O SHEL -3.3478392233 -8.7070052272 3.1227107546 838 O CORE -3.8484440065 -9.8001508214 0.8177471824 839 O SHEL -3.7972744426 -9.7999213578 0.8084387735 840 O CORE -5.8015652194 -9.8524452396 2.6386645201 841 O SHEL -5.8335183230 -9.8603040907 2.5993160876 842 O CORE -3.5418042756 -11.0826349590 3.1481210807 843 O SHEL -3.5384724175 -11.0643613712 3.1497311926 844 FE CORE 7.2031947642 -6.8650713554 6.8183817756 845 FE CORE 7.2031948325 -6.8650713545 -2.8109600805 846 MN CORE 2.6836086845 1.8064091176 11.4132580855 847 FE CORE 7.2031947984 -6.9123972560 2.0037108476 848 LI CORE 5.0646171175 -2.0665860405 9.0568912693 849 LI CORE -5.0646172858 -2.0665860405 9.0568911975 850 LI CORE 5.0646171175 3.7888552449 9.0568912699 851 LI CORE -5.0646172858 3.7888552449 9.0568911981 852 MN CORE -2.3810084680 -9.7284364443 4.4729750057 853 P CORE -6.1563591610 -1.0456428322 -8.0798829448 854 O CORE -6.2318128927 -0.9194852291 -6.4833916686 855 O SHEL -6.2479252797 -0.9077986167 -6.4886884165 856 O CORE -4.6654660461 -1.1514102202 -8.6662092530 857 O SHEL -4.6704697955 -1.1626591446 -8.6539107416 858 O CORE -6.9595399205 0.1858468852 -8.7424767371 859 O SHEL -6.9770479110 0.1992915510 -8.7164153157 860 O CORE -6.9312045522 -2.3283331895 -8.6893304689 861 O SHEL -6.9380808105 -2.3374431406 -8.6762433645 862 P CORE -6.1563591610 4.8097984532 -8.0798829443 863 O CORE -6.2318128927 4.9359560563 -6.4833916680 864 O SHEL -6.2479252797 4.9476426687 -6.4886884159 865 O CORE -4.6654660461 4.7040310651 -8.6662092524 866 O SHEL -4.6704697955 4.6927821407 -8.6539107410 867 O CORE -6.9312045522 3.5271080958 -8.6893304683 868 O SHEL -6.9380808105 3.5179981448 -8.6762433639 869 O CORE -6.9595399205 6.0412881706 -8.7424767366 870 O SHEL -6.9770479110 6.0547328364 -8.7164153151 871 MN CORE -12.5102428371 1.8064091187 -0.3416959931 872 P CORE -1.0917420842 4.8097984515 9.5221031994 873 O CORE -1.1671957933 4.9359560550 7.9256119221 874 O SHEL -1.1833081803 4.9476426673 7.9309086698 875 O CORE -1.8665874841 3.5271080941 10.1315507122 876 O SHEL -1.8734637422 3.5179981430 10.1184636077 877 O CORE 0.3991510223 4.7040310634 10.1084295287 878 O SHEL 0.3941472731 4.6927821390 10.0961310172 879 O CORE -1.8949228531 6.0412881688 10.1846969805 880 O SHEL -1.9124308433 6.0547328346 10.1586355588 881 MN CORE 2.6836087186 7.8378874115 6.5985871580 882 LI CORE 0.0000000000 11.7108825707 -2.7999999989 883 LI CORE 0.0000000000 -11.7108825707 -2.8000000011 884 P CORE 0.8275499873 13.5946132130 -0.9162994103 885 O CORE 1.5228129605 12.3391301828 -1.7059007893 886 O SHEL 1.5261448186 12.3574037707 -1.7075109012 887 O CORE 1.2161731966 13.6216143200 0.6244731048 888 O SHEL 1.2673427603 13.6218437836 0.6337815145 889 O CORE -0.7369479905 13.5693199022 -1.1964442605 890 O SHEL -0.7689010947 13.5614610510 -1.1570958285 891 O CORE 1.6925353461 14.7482784163 -1.6726324595 892 O SHEL 1.7167780124 14.7147599146 -1.6804904600 893 P CORE 0.8275500556 -3.9717106422 -10.5456412681 894 O CORE 1.2161732649 -3.9447095352 -9.0048687529 895 O SHEL 1.2673428286 -3.9444800716 -8.9955603433 896 O CORE -0.7369479222 -3.9970039530 -10.8257861183 897 O SHEL -0.7689010264 -4.0048628041 -10.7864376863 898 O CORE 1.6925354144 -2.8180454389 -11.3019743172 899 O SHEL 1.7167780807 -2.8515639406 -11.3098323177 900 O CORE 1.5228130288 -5.2271936723 -11.3352426470 901 O SHEL 1.5261448869 -5.2089200845 -11.3368527589 902 FE CORE -2.9260395366 -6.9123972551 -7.6256310803 903 P CORE -1.0917419476 4.8097984533 -9.7365805128 904 O CORE -1.8665873475 3.5271080959 -9.1271330000 905 O SHEL -1.8734636056 3.5179981448 -9.1402201045 906 O CORE 0.3991511589 4.7040310652 -9.1502541835 907 O SHEL 0.3941474097 4.6927821408 -9.1625526950 908 O CORE -1.8949227165 6.0412881706 -9.0739867317 909 O SHEL -1.9124307067 6.0547328364 -9.1000481534 910 O CORE -1.1671956567 4.9359560568 -11.3330717901 911 O SHEL -1.1833080437 4.9476426691 -11.3277750424 912 FE CORE -2.9260396732 -1.0569559716 11.6330526324 913 MN CORE 12.8128431561 1.8064091185 1.7839163012 914 P CORE 3.9728751740 10.6652397376 1.5494589842 915 O CORE 3.1980297828 9.3825493803 0.9400114601 916 O SHEL 3.1911535245 9.3734394292 0.9530985645 917 O CORE 3.8974214423 10.7913973407 3.1459502604 918 O SHEL 3.8813090553 10.8030839531 3.1406535125 919 O CORE 5.4637682889 10.5594723496 0.9631326760 920 O SHEL 5.4587645395 10.5482234252 0.9754311874 921 O CORE 3.1696944145 11.8967294550 0.8868651919 922 O SHEL 3.1521864240 11.9101741208 0.9129266133 923 P CORE 3.9728752082 10.6899393640 -3.2652119439 924 O CORE 3.1696944487 9.4584496468 -3.9278057364 925 O SHEL 3.1521864581 9.4450049810 -3.9017443149 926 O CORE 3.8974214764 10.5637817606 -1.6687206676 927 O SHEL 3.8813090895 10.5520951482 -1.6740174155 928 O CORE 5.4637683230 10.7957067522 -3.8515382520 929 O SHEL 5.4587645736 10.8069556766 -3.8392397406 930 O CORE 3.1980298170 11.9726297215 -3.8746594677 931 O SHEL 3.1911535586 11.9817396726 -3.8615723633 932 LI CORE 5.0646171858 9.6442965311 -0.5724505857 933 LI CORE -5.0646172175 9.6442965311 -0.5724506575 934 FE CORE 7.2031948667 -1.0569559698 -7.6256310080 935 FE CORE 7.2031948667 4.7984853156 -7.6256310074 936 FE CORE 7.2031948667 -6.9123972551 -7.6256310085 937 P CORE 10.9567843564 1.9051246029 3.8983715884 938 O CORE 9.3922863786 1.9304179138 3.6182267382 939 O SHEL 9.3603332745 1.9382767649 3.6575751702 940 O CORE 11.3454075657 1.8781234956 5.4391441036 941 O SHEL 11.3965771295 1.8778940320 5.4484525132 942 O CORE 11.8217697153 0.7514593998 3.1420385391 943 O SHEL 11.8460123816 0.7849779014 3.1341805386 944 O CORE 11.6520473297 3.1606076332 3.1087702097 945 O SHEL 11.6553791877 3.1423340454 3.1071600978 946 FE CORE -7.9906568225 -6.8650713551 4.2531803792 947 FE CORE -7.9906567542 -6.8650713542 -5.3761614769 948 MN CORE -2.3810083997 -9.7284364434 -5.1563668504 949 FE CORE -7.9906567884 -6.9123972558 -0.5614905489 950 FE CORE 2.1385776149 -12.7678385412 -0.5614904776 951 P CORE 10.9567843564 -3.9503166824 3.8983715879 952 O CORE 9.3922863786 -3.9250233716 3.6182267377 953 O SHEL 9.3603332745 -3.9171645205 3.6575751697 954 O CORE 11.6520473297 -2.6948336522 3.1087702092 955 O SHEL 11.6553791877 -2.7131072400 3.1071600973 956 O CORE 11.3454075657 -3.9773177897 5.4391441030 957 O SHEL 11.3965771295 -3.9775472534 5.4484525127 958 O CORE 11.8217697153 -5.1039818856 3.1420385385 959 O SHEL 11.8460123816 -5.0704633839 3.1341805380 960 P CORE 10.9567843906 -3.9717106431 -0.9162993402 961 O CORE 9.3922864128 -3.9970039539 -1.1964441904 962 O SHEL 9.3603333086 -4.0048628050 -1.1570957584 963 O CORE 11.3454075999 -3.9447095361 0.6244731750 964 O SHEL 11.3965771636 -3.9444800725 0.6337815846 965 O CORE 11.8217697494 -2.8180454398 -1.6726323893 966 O SHEL 11.8460124157 -2.8515639415 -1.6804903898 967 O CORE 11.6520473638 -5.2271936732 -1.7059007191 968 O SHEL 11.6553792219 -5.2089200854 -1.7075108310 969 P CORE -4.2370672718 7.7605658880 7.1731906218 970 O CORE -3.3720819237 6.6069006846 7.9295236832 971 O SHEL -3.3478392575 6.6404191863 7.9373816841 972 O CORE -3.8484440406 7.7335647809 5.6324181121 973 O SHEL -3.7972744767 7.7333353173 5.6231097032 974 O CORE -5.8015652535 7.7858591988 7.4533354498 975 O SHEL -5.8335183571 7.7937180499 7.4139870173 976 O CORE -3.5418043097 9.0160489181 7.9627920106 977 O SHEL -3.5384724517 8.9977753303 7.9644021225 978 P CORE 5.8921671315 7.7605658880 7.1731906936 979 O CORE 4.3276691498 7.7858591988 7.4533355216 980 O SHEL 4.2957160462 7.7937180499 7.4139870891 981 O CORE 6.2807903627 7.7335647809 5.6324181839 982 O SHEL 6.3319599266 7.7333353173 5.6231097750 983 O CORE 6.7571524796 6.6069006846 7.9295237550 984 O SHEL 6.7813951458 6.6404191863 7.9373817559 985 O CORE 6.5874300936 9.0160489181 7.9627920824 986 O SHEL 6.5907619516 8.9977753303 7.9644021943 987 FE CORE 2.1385775808 10.7012525009 4.2531804526 988 P CORE 3.9728752423 -6.9010841175 -8.0798828736 989 O CORE 3.8974215106 -6.7749265144 -6.4833915973 990 O SHEL 3.8813091236 -6.7632399020 -6.4886883452 991 O CORE 3.1696944828 -5.6695944001 -8.7424766659 992 O SHEL 3.1521864923 -5.6561497343 -8.7164152444 993 O CORE 3.1980298511 -8.1837744749 -8.6893303976 994 O SHEL 3.1911535928 -8.1928844259 -8.6762432932 995 O CORE 5.4637683572 -7.0068515056 -8.6662091817 996 O SHEL 5.4587646078 -7.0181004300 -8.6539106703 997 P CORE -6.1563591610 -6.9010841175 -8.0798829454 998 O CORE -6.2318128927 -6.7749265144 -6.4833916691 999 O SHEL -6.2479252797 -6.7632399020 -6.4886884170 1000 O CORE -4.6654660461 -7.0068515056 -8.6662092535 1001 O SHEL -4.6704697955 -7.0181004300 -8.6539107421 1002 O CORE -6.9595399205 -5.6695944001 -8.7424767377 1003 O SHEL -6.9770479110 -5.6561497343 -8.7164153162 1004 O CORE -6.9312045522 -8.1837744749 -8.6893304694 1005 O SHEL -6.9380808105 -8.1928844259 -8.6762433650 1006 FE CORE 2.1385776832 4.7984853158 -10.1908323321 1007 P CORE -4.2370671693 7.7391719282 -7.2708221624 1008 O CORE -3.5418042073 6.4836888979 -6.4812207738 1009 O SHEL -3.5384723492 6.5019624857 -6.4796106619 1010 O CORE -3.3720818212 8.8928371314 -6.5144891007 1011 O SHEL -3.3478391550 8.8593186297 -6.5066310999 1012 O CORE -5.8015651511 7.7138786173 -6.9906773344 1013 O SHEL -5.8335182547 7.7060197662 -7.0300257668 1014 O CORE -3.8484439382 7.7661730355 -8.8115946720 1015 O SHEL -3.7972743743 7.7664024991 -8.8209030810 1016 P CORE 5.8921672340 7.7391719282 -7.2708220906 1017 O CORE 6.5874301960 6.4836888979 -6.4812207020 1018 O SHEL 6.5907620541 6.5019624857 -6.4796105901 1019 O CORE 4.3276692522 7.7138786173 -6.9906772626 1020 O SHEL 4.2957161486 7.7060197662 -7.0300256950 1021 O CORE 6.7571525821 8.8928371314 -6.5144890289 1022 O SHEL 6.7813952483 8.8593186297 -6.5066310281 1023 O CORE 6.2807904651 7.7661730355 -8.8115946002 1024 O SHEL 6.3319600290 7.7664024991 -8.8209030092 1025 P CORE -9.3016843819 1.9051246038 -5.7309704113 1026 O CORE -8.9130611726 1.8781234965 -4.1901978961 1027 O SHEL -8.8618916088 1.8778940329 -4.1808894865 1028 O CORE -8.4366990230 0.7514594007 -6.4873034606 1029 O SHEL -8.4124563567 0.7849779023 -6.4951614611 1030 O CORE -8.6064214086 3.1606076341 -6.5205717900 1031 O SHEL -8.6030895506 3.1423340463 -6.5221819019 1032 O CORE -10.8661823597 1.9304179147 -6.0111152615 1033 O SHEL -10.8981354638 1.9382767658 -5.9717668295 1034 P CORE -9.3016843819 -3.9503166815 -5.7309704118 1035 O CORE -8.9130611726 -3.9773177888 -4.1901978967 1036 O SHEL -8.8618916088 -3.9775472525 -4.1808894870 1037 O CORE -8.6064214086 -2.6948336513 -6.5205717905 1038 O SHEL -8.6030895506 -2.7131072391 -6.5221819024 1039 O CORE -8.4366990230 -5.1039818847 -6.4873034612 1040 O SHEL -8.4124563567 -5.0704633830 -6.4951614617 1041 O CORE -10.8661823597 -3.9250233707 -6.0111152620 1042 O SHEL -10.8981354638 -3.9171645196 -5.9717668300 1043 FE CORE -13.0552740082 -1.0569559707 2.0037107045 1044 MN CORE -7.4456256505 7.6618504039 1.7839161581 1045 P CORE 3.9728751057 -1.0456428340 11.1788008392 1046 O CORE 3.1696943462 0.1858468834 10.5162070469 1047 O SHEL 3.1521863557 0.1992915492 10.5422684683 1048 O CORE 3.1980297145 -2.3283331913 10.5693533151 1049 O SHEL 3.1911534562 -2.3374431424 10.5824404195 1050 O CORE 5.4637682206 -1.1514102220 10.5924745310 1051 O SHEL 5.4587644712 -1.1626591464 10.6047730424 1052 O CORE 3.8974213740 -0.9194852309 12.7752921154 1053 O SHEL 3.8813089870 -0.9077986185 12.7699953675 1054 LI CORE 5.0646172541 -2.0665860387 -10.2017924429 1055 LI CORE -5.0646171492 -2.0665860387 -10.2017925147 1056 LI CORE 5.0646172541 3.7888552467 -10.2017924423 1057 LI CORE -5.0646171492 3.7888552467 -10.2017925141 1058 MN CORE -7.4456256847 7.8378874115 6.5985870862 1059 MN CORE -7.4456256164 7.8378874124 -3.0307547699 1060 MN CORE -7.4456255822 1.8064091194 -7.8454256985 1061 MN CORE -7.4456255822 -4.0490321659 -7.8454256991 1062 MN CORE 2.6836088552 1.9824461280 -12.6600965548 1063 FE CORE -2.9260395025 -1.0096300682 -12.4403020078 1064 P CORE -1.0917420500 10.6899393633 4.7074322719 1065 O CORE -1.8949228190 9.4584496459 5.3700260528 1066 O SHEL -1.9124308091 9.4450049801 5.3439646311 1067 O CORE -1.1671957592 10.5637817602 3.1109409946 1068 O SHEL -1.1833081461 10.5520951478 3.1162377422 1069 O CORE 0.3991510565 10.7957067513 5.2937586012 1070 O SHEL 0.3941473073 10.8069556757 5.2814600897 1071 O CORE -1.8665874499 11.9726297206 5.3168797849 1072 O SHEL -1.8734637080 11.9817396717 5.3037926804 1073 MN CORE 7.7482259695 7.6618504041 -0.3416958490 1074 P CORE -1.0917421183 -1.0209432083 14.3367741269 1075 O CORE -1.1671958275 -1.1471008114 12.7402828496 1076 O SHEL -1.1833082144 -1.1587874238 12.7455795972 1077 O CORE 0.3991509882 -0.9151758203 14.9231004562 1078 O SHEL 0.3941472390 -0.9039268959 14.9108019447 1079 O CORE -1.8665875182 0.2617471490 14.9462216399 1080 O SHEL -1.8734637763 0.2708571001 14.9331345354 1081 O CORE -1.8949228873 -2.2524329257 14.9993679078 1082 O SHEL -1.9124308774 -2.2658775915 14.9733064861 1083 LI CORE -0.0000001024 3.7888552447 11.6440127845 1084 P CORE 0.8275498848 1.9051246020 13.5277133727 1085 O CORE 1.6925352437 0.7514593989 12.7713803234 1086 O SHEL 1.7167779100 0.7849779005 12.7635223229 1087 O CORE 1.5228128581 3.1606076323 12.7381119940 1088 O SHEL 1.5261447161 3.1423340445 12.7365018821 1089 O CORE -0.7369480930 1.9304179129 13.2475685225 1090 O SHEL -0.7689011971 1.9382767640 13.2869169545 1091 O CORE 1.2161730941 1.8781234947 15.0684858879 1092 O SHEL 1.2673426579 1.8778940311 15.0777942975 1093 MN CORE 2.6836086845 -4.0490321677 11.4132580849 1094 MN CORE 2.6836088211 7.6618504048 -7.8454256262 1095 MN CORE -7.4456255822 7.6618504048 -7.8454256980 1096 P CORE 0.8275500214 -9.8057579669 -5.7309703406 1097 O CORE 1.2161732307 -9.8327590742 -4.1901978254 1098 O SHEL 1.2673427945 -9.8329885378 -4.1808894158 1099 O CORE 1.5228129947 -8.5502749366 -6.5205717193 1100 O SHEL 1.5261448527 -8.5685485244 -6.5221818312 1101 O CORE -0.7369479564 -9.7804646560 -6.0111151908 1102 O SHEL -0.7689010605 -9.7726058049 -5.9717667588 1103 O CORE 1.6925353803 -10.9594231700 -6.4873033899 1104 O SHEL 1.7167780466 -10.9259046684 -6.4951613904 1105 LI CORE 0.0000000342 -7.9220273242 -7.6146709288 1106 MN CORE 7.7482259353 7.8378874117 4.4729750791 1107 MN CORE 7.7482260036 7.8378874126 -5.1563667770 1108 P CORE -1.0917419817 10.6899393642 -4.9219095842 1109 O CORE -1.8949227507 9.4584496468 -4.2593158033 1110 O SHEL -1.9124307408 9.4450049810 -4.2853772250 1111 O CORE 0.3991511248 10.7957067522 -4.3355832549 1112 O SHEL 0.3941473756 10.8069556766 -4.3478817664 1113 O CORE -1.8665873816 11.9726297215 -4.3124620712 1114 O SHEL -1.8734636397 11.9817396726 -4.3255491757 1115 O CORE -1.1671956909 10.5637817611 -6.5184008615 1116 O SHEL -1.1833080778 10.5520951487 -6.5131041139 1117 P CORE -1.0917419134 -1.0209432056 -14.5512514414 1118 O CORE 0.3991511931 -0.9151758176 -13.9649251121 1119 O SHEL 0.3941474439 -0.9039268932 -13.9772236236 1120 O CORE -1.8665873133 0.2617471517 -13.9418039284 1121 O SHEL -1.8734635714 0.2708571028 -13.9548910329 1122 O CORE -1.8949226824 -2.2524329230 -13.8886576605 1123 O SHEL -1.9124306725 -2.2658775888 -13.9147190822 1124 O CORE -1.1671956226 -1.1471008087 -16.1477427187 1125 O SHEL -1.1833080095 -1.1587874211 -16.1424459711 1126 FE CORE -2.9260395708 -12.7205126398 -2.8109601528 1127 P CORE 14.1021095773 -1.0456428331 1.5494590549 1128 O CORE 13.2989288178 0.1858468843 0.8868652626 1129 O SHEL 13.2814208273 0.1992915501 0.9129266840 1130 O CORE 13.3272641861 -2.3283331904 0.9400115308 1131 O SHEL 13.3203879278 -2.3374431415 0.9530986352 1132 O CORE 14.0266558456 -0.9194852300 3.1459503311 1133 O SHEL 14.0105434586 -0.9077986176 3.1406535832 1134 O CORE 15.5930026922 -1.1514102211 0.9631327467 1135 O SHEL 15.5879989428 -1.1626591455 0.9754312581 1136 FE CORE -2.9260396049 -12.7678385414 2.0037107752 1137 P CORE 5.8921671998 -9.8057579672 -2.4561511642 1138 O CORE 6.5874301619 -8.5502749371 -1.6665497754 1139 O SHEL 6.5907620199 -8.5685485249 -1.6649396634 1140 O CORE 4.3276692181 -9.7804646564 -2.1760063362 1141 O SHEL 4.2957161145 -9.7726058052 -2.2153547686 1142 O CORE 6.2807904310 -9.8327590742 -3.9969236738 1143 O SHEL 6.3319599949 -9.8329885378 -4.0062320828 1144 O CORE 6.7571525479 -10.9594231705 -1.6998181028 1145 O SHEL 6.7813952141 -10.9259046688 -1.6919601019 1146 P CORE 5.8921671657 -9.8271519287 2.3585197639 1147 O CORE 4.3276691839 -9.8524452396 2.6386645919 1148 O SHEL 4.2957160803 -9.8603040907 2.5993161594 1149 O CORE 6.7571525138 -8.6734867256 3.1148528255 1150 O SHEL 6.7813951800 -8.7070052272 3.1227108264 1151 O CORE 6.2807903968 -9.8001508214 0.8177472542 1152 O SHEL 6.3319599607 -9.7999213578 0.8084388453 1153 O CORE 6.5874301277 -11.0826349590 3.1481211525 1154 O SHEL 6.5907619858 -11.0643613712 3.1497312644 1155 LI CORE -0.0000000341 -13.7774686105 2.0146709268 1156 MN CORE 12.8128431902 1.9824461271 -3.0307546269 1157 FE CORE -13.0552739741 -1.0096300691 -2.8109602235 1158 MN CORE -2.3810084338 13.5172916894 -0.3416959202 1159 P CORE 9.0374923533 -6.8763844927 4.7074323421 1160 O CORE 8.2626469534 -5.5936941354 5.3168798551 1161 O SHEL 8.2557706953 -5.5845841843 5.3037927506 1162 O CORE 8.9620386441 -7.0025420959 3.1109410647 1163 O SHEL 8.9459262572 -7.0142287082 3.1162378124 1164 O CORE 8.2343115843 -8.1078742101 5.3700261230 1165 O SHEL 8.2168035942 -8.1213188759 5.3439647012 1166 O CORE 10.5283854598 -6.7706171047 5.2937586713 1167 O SHEL 10.5233817106 -6.7593681803 5.2814601599 1168 P CORE 9.0374924216 -6.8763844918 -4.9219095140 1169 O CORE 8.2626470217 -5.5936941345 -4.3124620010 1170 O SHEL 8.2557707636 -5.5845841834 -4.3255491055 1171 O CORE 8.2343116526 -8.1078742092 -4.2593157331 1172 O SHEL 8.2168036625 -8.1213188750 -4.2853771549 1173 O CORE 10.5283855281 -6.7706171038 -4.3355831848 1174 O SHEL 10.5233817789 -6.7593681794 -4.3478816962 1175 O CORE 8.9620387124 -7.0025420950 -6.5184007914 1176 O SHEL 8.9459263255 -7.0142287073 -6.5131040437 1177 P CORE -11.2209764533 -1.0209432074 4.7074321990 1178 O CORE -9.7300833468 -0.9151758194 5.2937585283 1179 O SHEL -9.7350870960 -0.9039268950 5.2814600168 1180 O CORE -11.2964301625 -1.1471008105 3.1109409217 1181 O SHEL -11.3125425494 -1.1587874229 3.1162376693 1182 O CORE -11.9958218532 0.2617471499 5.3168797120 1183 O SHEL -12.0026981113 0.2708571010 5.3037926075 1184 O CORE -12.0241572223 -2.2524329248 5.3700259799 1185 O SHEL -12.0416652124 -2.2658775906 5.3439645582 1186 P CORE 9.0374923874 -6.9010841183 -0.1072385860 1187 O CORE 8.2343116185 -5.6695944010 0.5553551951 1188 O SHEL 8.2168036283 -5.6561497352 0.5292937734 1189 O CORE 8.2626469875 -8.1837744757 0.5022089268 1190 O SHEL 8.2557707294 -8.1928844268 0.4891218223 1191 O CORE 8.9620386783 -6.7749265148 -1.7037298633 1192 O SHEL 8.9459262913 -6.7632399025 -1.6984331156 1193 O CORE 10.5283854939 -7.0068515064 0.4790877433 1194 O SHEL 10.5233817447 -7.0181004308 0.4667892318 1195 FE CORE 2.1385775466 -6.9123972567 9.0678513790 1196 LI CORE 10.1292344033 5.8554412853 -2.7999999277 1197 LI CORE 10.1292344033 -5.8554412854 -2.7999999288 1198 LI CORE -10.1292344033 5.8554412853 -2.8000000713 1199 LI CORE -10.1292344033 -5.8554412854 -2.8000000724 1200 P CORE 3.9728751057 4.8097984514 11.1788008397 1201 O CORE 3.1980297145 3.5271080940 10.5693533157 1202 O SHEL 3.1911534562 3.5179981430 10.5824404201 1203 O CORE 3.1696943462 6.0412881688 10.5162070474 1204 O SHEL 3.1521863557 6.0547328346 10.5422684689 1205 O CORE 5.4637682206 4.7040310633 10.5924745316 1206 O SHEL 5.4587644712 4.6927821389 10.6047730430 1207 O CORE 3.8974213740 4.9359560545 12.7752921160 1208 O SHEL 3.8813089870 4.9476426669 12.7699953681 1209 FE CORE 2.1385775125 -1.0096300707 13.8825223076 1210 P CORE -11.2209764192 4.8097984524 -0.1072387285 1211 O CORE -9.7300833127 4.7040310643 0.4790876008 1212 O SHEL -9.7350870619 4.6927821399 0.4667890893 1213 O CORE -11.9958218191 3.5271080950 0.5022087843 1214 O SHEL -12.0026980772 3.5179981439 0.4891216798 1215 O CORE -11.2964301283 4.9359560559 -1.7037300058 1216 O SHEL -11.3125425153 4.9476426682 -1.6984332581 1217 O CORE -12.0241571881 6.0412881697 0.5553550526 1218 O SHEL -12.0416651783 6.0547328355 0.5292936309 1219 P CORE -11.2209764533 4.8344980780 4.7074321996 1220 O CORE -9.7300833468 4.9402654660 5.2937585288 1221 O SHEL -9.7350870960 4.9515143904 5.2814600174 1222 O CORE -11.2964301625 4.7083404748 3.1109409222 1223 O SHEL -11.3125425494 4.6966538625 3.1162376699 1224 O CORE -12.0241572223 3.6030083606 5.3700259805 1225 O SHEL -12.0416652124 3.5895636948 5.3439645587 1226 O CORE -11.9958218532 6.1171884353 5.3168797126 1227 O SHEL -12.0026981113 6.1262983864 5.3037926081 1228 FE CORE 2.1385776491 10.7012525018 -5.3761614035 1229 P CORE -11.2209763850 -1.0209432065 -4.9219096571 1230 O CORE -9.7300832785 -0.9151758185 -4.3355833278 1231 O SHEL -9.7350870277 -0.9039268941 -4.3478818393 1232 O CORE -11.9958217849 0.2617471508 -4.3124621441 1233 O SHEL -12.0026980430 0.2708571019 -4.3255492486 1234 O CORE -12.0241571540 -2.2524329239 -4.2593158762 1235 O SHEL -12.0416651441 -2.2658775897 -4.2853772979 1236 O CORE -11.2964300942 -1.1471008096 -6.5184009344 1237 O SHEL -11.3125424811 -1.1587874220 -6.5131041868 1238 P CORE -11.2209763850 4.8344980789 -4.9219096565 1239 O CORE -9.7300832785 4.9402654669 -4.3355833273 1240 O SHEL -9.7350870277 4.9515143913 -4.3478818387 1241 O CORE -12.0241571540 3.6030083615 -4.2593158756 1242 O SHEL -12.0416651441 3.5895636957 -4.2853772974 1243 O CORE -11.9958217849 6.1171884362 -4.3124621435 1244 O SHEL -12.0026980430 6.1262983873 -4.3255492480 1245 O CORE -11.2964300942 4.7083404757 -6.5184009339 1246 O SHEL -11.3125424811 4.6966538634 -6.5131041862 1247 MN CORE 2.6836087528 13.5172916892 1.7839162305 1248 P CORE -4.2370673059 1.8837306411 11.9878615493 1249 O CORE -3.8484440748 1.9107317484 10.4470890396 1250 O SHEL -3.7972745109 1.9109612120 10.4377806307 1251 O CORE -3.5418043439 0.6282476108 12.7774629379 1252 O SHEL -3.5384724858 0.6465211986 12.7790730498 1253 O CORE -3.3720819578 3.0373958442 12.7441946109 1254 O SHEL -3.3478392916 3.0038773426 12.7520526118 1255 O CORE -5.8015652877 1.8584373302 12.2680063773 1256 O SHEL -5.8335183913 1.8505784791 12.2286579448 1257 P CORE -4.2370673059 -3.9717106443 11.9878615487 1258 O CORE -3.8484440748 -3.9447095370 10.4470890391 1259 O SHEL -3.7972745109 -3.9444800734 10.4377806301 1260 O CORE -3.3720819578 -2.8180454411 12.7441946104 1261 O SHEL -3.3478392916 -2.8515639428 12.7520526112 1262 O CORE -5.8015652877 -3.9970039552 12.2680063767 1263 O SHEL -5.8335183913 -4.0048628063 12.2286579443 1264 O CORE -3.5418043439 -5.2271936746 12.7774629373 1265 O SHEL -3.5384724858 -5.2089200868 12.7790730492 1266 P CORE -4.2370671352 1.9051246044 -12.0854930910 1267 O CORE -3.3720817871 0.7514594011 -11.3291600296 1268 O SHEL -3.3478391209 0.7849779028 -11.3213020287 1269 O CORE -3.5418041731 3.1606076345 -11.2958917022 1270 O SHEL -3.5384723151 3.1423340467 -11.2942815902 1271 O CORE -5.8015651169 1.9304179152 -11.8053482630 1272 O SHEL -5.8335182205 1.9382767664 -11.8446966954 1273 O CORE -3.8484439040 1.8781234974 -13.6262656006 1274 O SHEL -3.7972743401 1.8778940338 -13.6355740096 1275 P CORE -4.2370671352 -3.9503166809 -12.0854930915 1276 O CORE -3.5418041731 -2.6948336508 -11.2958917027 1277 O SHEL -3.5384723151 -2.7131072386 -11.2942815908 1278 O CORE -3.3720817871 -5.1039818843 -11.3291600301 1279 O SHEL -3.3478391209 -5.0704633826 -11.3213020292 1280 O CORE -5.8015651169 -3.9250233701 -11.8053482635 1281 O SHEL -5.8335182205 -3.9171645190 -11.8446966960 1282 O CORE -3.8484439040 -3.9773177880 -13.6262656012 1283 O SHEL -3.7972743401 -3.9775472516 -13.6355740101 1284 MN CORE 2.6836087186 -9.7284364445 6.5985871563 1285 P CORE -1.0917420842 -6.9010841192 9.5221031983 1286 O CORE -1.1671957933 -6.7749265157 7.9256119210 1287 O SHEL -1.1833081803 -6.7632399034 7.9309086687 1288 O CORE -1.8949228531 -5.6695944019 10.1846969794 1289 O SHEL -1.9124308433 -5.6561497361 10.1586355577 1290 O CORE 0.3991510223 -7.0068515073 10.1084295276 1291 O SHEL 0.3941472731 -7.0181004317 10.0961310161 1292 O CORE -1.8665874841 -8.1837744766 10.1315507111 1293 O SHEL -1.8734637422 -8.1928844277 10.1184636066 1294 FE CORE -2.9260396732 4.7984853138 11.6330526330 1295 P CORE 0.8275499190 7.7391719267 8.7130424452 1296 O CORE 1.5228128922 6.4836888966 7.9234410663 1297 O SHEL 1.5261447503 6.5019624844 7.9218309544 1298 O CORE -0.7369480588 7.7138786159 8.4328975950 1299 O SHEL -0.7689011630 7.7060197648 8.4722460270 1300 O CORE 1.6925352778 8.8928371300 7.9567093961 1301 O SHEL 1.7167779441 8.8593186283 7.9488513956 1302 O CORE 1.2161731283 7.7661730337 10.2538149604 1303 O SHEL 1.2673426920 7.7664024973 10.2631233700 1304 LI CORE -0.0000001366 -0.0000000018 16.4586837122 1305 MN CORE -2.3810085363 1.9824461255 14.1023168629 1306 FE CORE 12.2678119841 -1.0096300698 4.2531805233 1307 MN CORE 2.6836088552 -3.8729951574 -12.6600965553 1308 MN CORE -12.5102428371 -4.0490321666 -0.3416959937 1309 P CORE 0.8275499873 -15.6825932138 -0.9162994131 1310 O CORE 1.6925353461 -14.5289280105 -1.6726324622 1311 O SHEL 1.7167780124 -14.5624465122 -1.6804904627 1312 O CORE 1.2161731966 -15.6555921068 0.6244731021 1313 O SHEL 1.2673427603 -15.6553626432 0.6337815117 1314 O CORE -0.7369479905 -15.7078865246 -1.1964442633 1315 O SHEL -0.7689010947 -15.7157453757 -1.1570958313 1316 O CORE 1.5228129605 -16.9380762439 -1.7059007920 1317 O SHEL 1.5261448186 -16.9198026561 -1.7075109039 1318 P CORE -1.0917419476 -6.9010841174 -9.7365805139 1319 O CORE -1.8949227165 -5.6695944001 -9.0739867328 1320 O SHEL -1.9124307067 -5.6561497343 -9.1000481545 1321 O CORE 0.3991511589 -7.0068515055 -9.1502541846 1322 O SHEL 0.3941474097 -7.0181004299 -9.1625526961 1323 O CORE -1.8665873475 -8.1837744748 -9.1271330011 1324 O SHEL -1.8734636056 -8.1928844259 -9.1402201056 1325 O CORE -1.1671956567 -6.7749265139 -11.3330717912 1326 O SHEL -1.1833080437 -6.7632399016 -11.3277750435 1327 MN CORE 12.8128431902 -3.8729951583 -3.0307546274 1328 P CORE 10.9567844247 1.9051246038 -5.7309702677 1329 O CORE 9.3922864469 1.9304179147 -6.0111151179 1330 O SHEL 9.3603333428 1.9382767658 -5.9717666859 1331 O CORE 11.3454076340 1.8781234965 -4.1901977525 1332 O SHEL 11.3965771978 1.8778940329 -4.1808893429 1333 O CORE 11.8217697836 0.7514594007 -6.4873033170 1334 O SHEL 11.8460124499 0.7849779023 -6.4951613175 1335 O CORE 11.6520473980 3.1606076341 -6.5205716464 1336 O SHEL 11.6553792560 3.1423340463 -6.5221817583 1337 P CORE 10.9567844247 -3.9503166815 -5.7309702682 1338 O CORE 9.3922864469 -3.9250233707 -6.0111151184 1339 O SHEL 9.3603333428 -3.9171645196 -5.9717666864 1340 O CORE 11.3454076340 -3.9773177888 -4.1901977531 1341 O SHEL 11.3965771978 -3.9775472525 -4.1808893434 1342 O CORE 11.6520473980 -2.6948336513 -6.5205716469 1343 O SHEL 11.6553792560 -2.7131072391 -6.5221817588 1344 O CORE 11.8217697836 -5.1039818847 -6.4873033176 1345 O SHEL 11.8460124499 -5.0704633830 -6.4951613181 1346 P CORE 3.9728752082 -12.7318257774 -3.2652119461 1347 O CORE 3.1980298170 -11.4491354199 -3.8746594699 1348 O SHEL 3.1911535586 -11.4400254688 -3.8615723655 1349 O CORE 3.8974214764 -12.8579833808 -1.6687206698 1350 O SHEL 3.8813090895 -12.8696699932 -1.6740174177 1351 O CORE 5.4637683230 -12.6260583892 -3.8515382542 1352 O SHEL 5.4587645736 -12.6148094648 -3.8392397428 1353 O CORE 3.1696944487 -13.9633154946 -3.9278057386 1354 O SHEL 3.1521864581 -13.9767601604 -3.9017443171 1355 MN CORE 2.6836087869 13.6933286978 -3.0307546976 1356 P CORE -14.3663016409 1.8837306420 2.3585196214 1357 O CORE -13.6710386789 0.6282476117 3.1481210100 1358 O SHEL -13.6677068208 0.6465211995 3.1497311219 1359 O CORE -13.5013162928 3.0373958451 3.1148526830 1360 O SHEL -13.4770736266 3.0038773435 3.1227106839 1361 O CORE -13.9776784098 1.9107317493 0.8177471117 1362 O SHEL -13.9265088459 1.9109612129 0.8084387028 1363 O CORE -15.9307996227 1.8584373311 2.6386644494 1364 O SHEL -15.9627527263 1.8505784800 2.5993160169 1365 P CORE 3.9728751740 -12.7565254038 1.5494589820 1366 O CORE 3.1696944145 -11.5250356864 0.8868651897 1367 O SHEL 3.1521864240 -11.5115910206 0.9129266111 1368 O CORE 3.8974214423 -12.6303678007 3.1459502582 1369 O SHEL 3.8813090553 -12.6186811883 3.1406535103 1370 O CORE 5.4637682889 -12.8622927918 0.9631326738 1371 O SHEL 5.4587645395 -12.8735417162 0.9754311852 1372 O CORE 3.1980297828 -14.0392157611 0.9400114579 1373 O SHEL 3.1911535245 -14.0483257122 0.9530985623 1374 LI CORE 5.0646171517 11.7108825700 4.2422203426 1375 LI CORE 5.0646171517 -11.7108825714 4.2422203404 1376 LI CORE -5.0646172516 11.7108825700 4.2422202708 1377 LI CORE -5.0646172516 -11.7108825714 4.2422202686 1378 P CORE -6.1563592293 10.6652397376 1.5494589124 1379 O CORE -4.6654661144 10.5594723496 0.9631326042 1380 O SHEL -4.6704698638 10.5482234252 0.9754311156 1381 O CORE -6.9312046205 9.3825493803 0.9400113883 1382 O SHEL -6.9380808788 9.3734394292 0.9530984927 1383 O CORE -6.2318129610 10.7913973407 3.1459501886 1384 O SHEL -6.2479253480 10.8030839531 3.1406534407 1385 O CORE -6.9595399888 11.8967294550 0.8868651201 1386 O SHEL -6.9770479793 11.9101741208 0.9129265415 1387 P CORE -14.3663016068 1.9051246035 -2.4561513067 1388 O CORE -13.5013162587 0.7514594002 -1.6998182453 1389 O SHEL -13.4770735925 0.7849779019 -1.6919602444 1390 O CORE -13.6710386447 3.1606076336 -1.6665499179 1391 O SHEL -13.6677067867 3.1423340458 -1.6649398059 1392 O CORE -13.9776783756 1.8781234965 -3.9969238163 1393 O SHEL -13.9265088117 1.8778940329 -4.0062322253 1394 O CORE -15.9307995885 1.9304179143 -2.1760064787 1395 O SHEL -15.9627526921 1.9382767655 -2.2153549111 1396 P CORE -6.1563591951 10.6899393640 -3.2652120157 1397 O CORE -6.2318129269 10.5637817606 -1.6687207394 1398 O SHEL -6.2479253138 10.5520951482 -1.6740174873 1399 O CORE -4.6654660803 10.7957067522 -3.8515383238 1400 O SHEL -4.6704698297 10.8069556766 -3.8392398124 1401 O CORE -6.9595399546 9.4584496468 -3.9278058082 1402 O SHEL -6.9770479452 9.4450049810 -3.9017443867 1403 O CORE -6.9312045863 11.9726297215 -3.8746595395 1404 O SHEL -6.9380808447 11.9817396726 -3.8615724351 1405 MN CORE 12.8128431561 -4.0490321668 1.7839163006 1406 P CORE 3.9728752765 -1.0209432058 -12.8945538011 1407 O CORE 3.8974215447 -1.1471008092 -11.2980625248 1408 O SHEL 3.8813091578 -1.1587874216 -11.3033592727 1409 O CORE 3.1980298853 0.2617471517 -13.5040013249 1410 O SHEL 3.1911536269 0.2708571028 -13.4909142205 1411 O CORE 3.1696945170 -2.2524329230 -13.5571475936 1412 O SHEL 3.1521865264 -2.2658775888 -13.5310861721 1413 O CORE 5.4637683913 -0.9151758176 -13.4808801092 1414 O SHEL 5.4587646419 -0.9039268932 -13.4685815978 1415 MN CORE -2.3810085021 7.6618504032 9.2876459353 1416 LI CORE 10.1292343350 -0.0000000009 6.8293419279 1417 LI CORE -10.1292344716 -0.0000000009 6.8293417843 1418 LI CORE 10.1292343350 5.8554412844 6.8293419284 1419 LI CORE 10.1292343350 -5.8554412863 6.8293419273 1420 LI CORE -10.1292344716 5.8554412844 6.8293417848 1421 LI CORE -10.1292344716 -5.8554412863 6.8293417837 1422 FE CORE 2.1385775808 -12.7205126405 4.2531804504 1423 LI CORE 5.0646171175 -7.9220273258 9.0568912688 1424 LI CORE -5.0646172858 -7.9220273258 9.0568911970 1425 P CORE -4.2370672718 -9.8057579681 7.1731906201 1426 O CORE -3.5418043097 -8.5502749380 7.9627920089 1427 O SHEL -3.5384724517 -8.5685485258 7.9644021209 1428 O CORE -3.8484440406 -9.8327590751 5.6324181105 1429 O SHEL -3.7972744767 -9.8329885387 5.6231097015 1430 O CORE -5.8015652535 -9.7804646573 7.4533354481 1431 O SHEL -5.8335183571 -9.7726058061 7.4139870157 1432 O CORE -3.3720819237 -10.9594231714 7.9295236815 1433 O SHEL -3.3478392575 -10.9259046697 7.9373816824 1434 P CORE 5.8921671315 -9.8057579681 7.1731906919 1435 O CORE 4.3276691498 -9.7804646573 7.4533355199 1436 O SHEL 4.2957160462 -9.7726058061 7.4139870875 1437 O CORE 6.5874300936 -8.5502749380 7.9627920807 1438 O SHEL 6.5907619516 -8.5685485258 7.9644021927 1439 O CORE 6.2807903627 -9.8327590751 5.6324181823 1440 O SHEL 6.3319599266 -9.8329885387 5.6231097733 1441 O CORE 6.7571524796 -10.9594231714 7.9295237533 1442 O SHEL 6.7813951458 -10.9259046697 7.9373817542 1443 MN CORE -12.5102428713 1.9824461264 4.4729749350 1444 MN CORE -12.5102428713 -3.8729951590 4.4729749344 1445 MN CORE 7.7482259012 1.8064091178 9.2876460066 1446 MN CORE 7.7482259012 -4.0490321675 9.2876460060 1447 MN CORE 7.7482259012 7.6618504032 9.2876460071 1448 P CORE -9.3016844160 7.7391719276 -0.9162994827 1449 O CORE -8.6064214428 6.4836888975 -1.7059008616 1450 O SHEL -8.6030895847 6.5019624853 -1.7075109735 1451 O CORE -8.9130612067 7.7661730346 0.6244730325 1452 O SHEL -8.8618916430 7.7664024982 0.6337814421 1453 O CORE -8.4366990572 8.8928371309 -1.6726325318 1454 O SHEL -8.4124563909 8.8593186292 -1.6804905323 1455 O CORE -10.8661823938 7.7138786168 -1.1964443329 1456 O SHEL -10.8981354980 7.7060197657 -1.1570959009 1457 P CORE 3.9728751399 10.6899393631 6.3641299122 1458 O CORE 3.1696943804 9.4584496459 5.7015361197 1459 O SHEL 3.1521863898 9.4450049801 5.7275975412 1460 O CORE 3.8974214081 10.5637817597 7.9606211885 1461 O SHEL 3.8813090212 10.5520951473 7.9553244406 1462 O CORE 5.4637682547 10.7957067513 5.7778036041 1463 O SHEL 5.4587645053 10.8069556757 5.7901021155 1464 O CORE 3.1980297487 11.9726297206 5.7546823884 1465 O SHEL 3.1911534903 11.9817396717 5.7677694928 1466 P CORE -6.1563592634 10.6899393631 6.3641298404 1467 O CORE -6.9595400229 9.4584496459 5.7015360479 1468 O SHEL -6.9770480135 9.4450049801 5.7275974694 1469 O CORE -4.6654661486 10.7957067513 5.7778035323 1470 O SHEL -4.6704698980 10.8069556757 5.7901020437 1471 O CORE -6.2318129952 10.5637817597 7.9606211167 1472 O SHEL -6.2479253821 10.5520951473 7.9553243688 1473 O CORE -6.9312046546 11.9726297206 5.7546823166 1474 O SHEL -6.9380809130 11.9817396717 5.7677694210 1475 FE CORE -7.9906568567 -1.0569559714 9.0678513078 1476 FE CORE -7.9906568567 4.7984853140 9.0678513083 1477 FE CORE -7.9906568567 -6.9123972567 9.0678513072 1478 P CORE -9.3016844502 7.7605658883 3.8983714454 1479 O CORE -8.4366990913 6.6069006851 3.1420383960 1480 O SHEL -8.4124564250 6.6404191868 3.1341803955 1481 O CORE -8.9130612409 7.7335647810 5.4391439605 1482 O SHEL -8.8618916771 7.7333353173 5.4484523702 1483 O CORE -8.6064214769 9.0160489185 3.1087700667 1484 O SHEL -8.6030896189 8.9977753307 3.1071599548 1485 O CORE -10.8661824280 7.7858591991 3.6182265952 1486 O SHEL -10.8981355321 7.7937180502 3.6575750272 1487 P CORE -9.3016843819 7.7605658892 -5.7309704107 1488 O CORE -8.9130611726 7.7335647819 -4.1901978956 1489 O SHEL -8.8618916088 7.7333353182 -4.1808894859 1490 O CORE -8.4366990230 6.6069006860 -6.4873034601 1491 O SHEL -8.4124563567 6.6404191877 -6.4951614606 1492 O CORE -8.6064214086 9.0160489194 -6.5205717894 1493 O SHEL -8.6030895506 8.9977753316 -6.5221819013 1494 O CORE -10.8661823597 7.7858592000 -6.0111152609 1495 O SHEL -10.8981354638 7.7937180511 -5.9717668289 1496 FE CORE 12.2678120182 4.7984853149 -0.5614904042 1497 P CORE -4.2370671693 -9.8271519278 -7.2708221640 1498 O CORE -3.3720818212 -8.6734867247 -6.5144891024 1499 O SHEL -3.3478391550 -8.7070052263 -6.5066311015 1500 O CORE -3.5418042073 -11.0826349581 -6.4812207754 1501 O SHEL -3.5384723492 -11.0643613703 -6.4796106635 1502 O CORE -5.8015651511 -9.8524452387 -6.9906773360 1503 O SHEL -5.8335182547 -9.8603040898 -7.0300257685 1504 O CORE -3.8484439382 -9.8001508205 -8.8115946737 1505 O SHEL -3.7972743743 -9.7999213569 -8.8209030826 1506 P CORE 5.8921672340 -9.8271519278 -7.2708220922 1507 O CORE 6.7571525821 -8.6734867247 -6.5144890306 1508 O SHEL 6.7813952483 -8.7070052263 -6.5066310297 1509 O CORE 4.3276692522 -9.8524452387 -6.9906772642 1510 O SHEL 4.2957161486 -9.8603040898 -7.0300256967 1511 O CORE 6.5874301960 -11.0826349581 -6.4812207036 1512 O SHEL 6.5907620541 -11.0643613703 -6.4796105917 1513 O CORE 6.2807904651 -9.8001508205 -8.8115946019 1514 O SHEL 6.3319600290 -9.7999213569 -8.8209030108 1515 LI CORE 5.0646172200 11.7108825709 -5.3871215135 1516 LI CORE 5.0646172200 -11.7108825705 -5.3871215157 1517 LI CORE -5.0646171833 11.7108825709 -5.3871215853 1518 LI CORE -5.0646171833 -11.7108825705 -5.3871215875 1519 FE CORE 2.1385776832 -6.9123972549 -10.1908323332 1520 FE CORE 12.2678119841 4.8458112156 4.2531805239 1521 FE CORE 2.1385777174 -1.0096300680 -15.0055032607 1522 MN CORE -2.3810083314 1.9824461282 -14.7857087054 1523 MN CORE -7.4456256847 -9.7284364445 6.5985870845 1524 MN CORE -7.4456256164 -9.7284364436 -3.0307547716 1525 LI CORE 0.0000000342 9.6442965318 -7.6146709271 1526 LI CORE 15.1938515891 -2.0665860396 -0.5724505150 1527 LI CORE -15.1938516208 -2.0665860396 -0.5724507304 1528 P CORE 0.8275500897 1.9051246047 -15.3603121956 1529 O CORE 1.2161732990 1.8781234974 -13.8195396804 1530 O SHEL 1.2673428628 1.8778940338 -13.8102312708 1531 O CORE -0.7369478881 1.9304179156 -15.6404570458 1532 O SHEL -0.7689009922 1.9382767667 -15.6011086138 1533 O CORE 1.6925354486 0.7514594016 -16.1166452449 1534 O SHEL 1.7167781149 0.7849779032 -16.1245032454 1535 O CORE 1.5228130630 3.1606076350 -16.1499135743 1536 O SHEL 1.5261449210 3.1423340472 -16.1515236862 1537 FE CORE -2.9260395025 4.8458112171 -12.4403020073 1538 P CORE -6.1563592976 -1.0456428340 11.1788007674 1539 O CORE -4.6654661827 -1.1514102220 10.5924744592 1540 O SHEL -4.6704699321 -1.1626591464 10.6047729706 1541 O CORE -6.9595400571 0.1858468834 10.5162069751 1542 O SHEL -6.9770480476 0.1992915492 10.5422683965 1543 O CORE -6.9312046888 -2.3283331913 10.5693532433 1544 O SHEL -6.9380809471 -2.3374431424 10.5824403477 1545 O CORE -6.2318130293 -0.9194852309 12.7752920436 1546 O SHEL -6.2479254163 -0.9077986185 12.7699952957 1547 P CORE -6.1563592976 4.8097984514 11.1788007679 1548 O CORE -4.6654661827 4.7040310633 10.5924744598 1549 O SHEL -4.6704699321 4.6927821389 10.6047729712 1550 O CORE -6.9312046888 3.5271080940 10.5693532439 1551 O SHEL -6.9380809471 3.5179981430 10.5824403483 1552 O CORE -6.9595400571 6.0412881688 10.5162069756 1553 O SHEL -6.9770480476 6.0547328346 10.5422683971 1554 O CORE -6.2318130293 4.9359560545 12.7752920442 1555 O SHEL -6.2479254163 4.9476426669 12.7699952963 1556 MN CORE -7.4456256505 -9.9044734522 1.7839161565 1557 P CORE 14.1021096115 -1.0209432067 -3.2652118732 1558 O CORE 14.0266558797 -1.1471008101 -1.6687205969 1559 O SHEL 14.0105434928 -1.1587874225 -1.6740173448 1560 O CORE 13.3272642203 0.2617471508 -3.8746593970 1561 O SHEL 13.3203879619 0.2708571019 -3.8615722926 1562 O CORE 13.2989288520 -2.2524329239 -3.9278056657 1563 O SHEL 13.2814208614 -2.2658775897 -3.9017442442 1564 O CORE 15.5930027263 -0.9151758185 -3.8515381813 1565 O SHEL 15.5879989769 -0.9039268941 -3.8392396699 1566 P CORE -1.0917420500 -12.7318257781 4.7074322697 1567 O CORE -1.8665874499 -11.4491354208 5.3168797827 1568 O SHEL -1.8734637080 -11.4400254697 5.3037926782 1569 O CORE 0.3991510565 -12.6260583901 5.2937585990 1570 O SHEL 0.3941473073 -12.6148094657 5.2814600875 1571 O CORE -1.1671957592 -12.8579833812 3.1109409924 1572 O SHEL -1.1833081461 -12.8696699936 3.1162377400 1573 O CORE -1.8949228190 -13.9633154955 5.3700260506 1574 O SHEL -1.9124308091 -13.9767601613 5.3439646289 1575 MN CORE 7.7482259353 -9.7284364443 4.4729750775 1576 MN CORE 7.7482260036 -9.7284364434 -5.1563667786 1577 P CORE 0.8275498848 -3.9503166833 13.5277133722 1578 O CORE 1.5228128581 -2.6948336531 12.7381119935 1579 O SHEL 1.5261447161 -2.7131072409 12.7365018816 1580 O CORE -0.7369480930 -3.9250233725 13.2475685220 1581 O SHEL -0.7689011971 -3.9171645214 13.2869169540 1582 O CORE 1.6925352437 -5.1039818865 12.7713803228 1583 O SHEL 1.7167779100 -5.0704633848 12.7635223223 1584 O CORE 1.2161730941 -3.9773177906 15.0684858873 1585 O SHEL 1.2673426579 -3.9775472543 15.0777942970 1586 P CORE 0.8275499531 13.6160071736 3.8983715177 1587 O CORE 1.6925353120 12.4623419705 3.1420384684 1588 O SHEL 1.7167779783 12.4958604721 3.1341804679 1589 O CORE -0.7369480247 13.6413004845 3.6182266675 1590 O SHEL -0.7689011288 13.6491593356 3.6575750995 1591 O CORE 1.2161731624 13.5890060663 5.4391440329 1592 O SHEL 1.2673427262 13.5887766027 5.4484524425 1593 O CORE 1.5228129264 14.8714902039 3.1087701390 1594 O SHEL 1.5261447844 14.8532166161 3.1071600271 1595 LI CORE -0.0000000341 15.4997378163 2.0146709295 1596 FE CORE -2.9260396391 10.7012525007 6.8183817055 1597 P CORE -1.0917420159 16.5206810231 -0.1072386556 1598 O CORE -1.8665874158 15.2379906657 0.5022088572 1599 O SHEL -1.8734636739 15.2288807146 0.4891217527 1600 O CORE 0.3991510906 16.4149136350 0.4790876737 1601 O SHEL 0.3941473414 16.4036647106 0.4667891622 1602 O CORE -1.1671957250 16.6468386266 -1.7037299329 1603 O SHEL -1.1833081120 16.6585252389 -1.6984331852 1604 O CORE -1.8949227848 17.7521707404 0.5553551255 1605 O SHEL -1.9124307750 17.7656154062 0.5292937038 1606 MN CORE -2.3810083655 7.6618504050 -9.9710377769 1607 FE CORE 12.2678120524 -1.0096300689 -5.3761613328 1608 FE CORE 12.2678120524 4.8458112165 -5.3761613322 1609 MN CORE 7.7482259695 -9.9044734520 -0.3416958506 1610 P CORE -1.0917419817 -12.7318257772 -4.9219095864 1611 O CORE -1.8665873816 -11.4491354199 -4.3124620734 1612 O SHEL -1.8734636397 -11.4400254688 -4.3255491779 1613 O CORE 0.3991511248 -12.6260583892 -4.3355832571 1614 O SHEL 0.3941473756 -12.6148094648 -4.3478817686 1615 O CORE -1.8949227507 -13.9633154946 -4.2593158055 1616 O SHEL -1.9124307408 -13.9767601604 -4.2853772272 1617 O CORE -1.1671956909 -12.8579833803 -6.5184008637 1618 O SHEL -1.1833080778 -12.8696699927 -6.5131041161 1619 MN CORE -12.5102428030 1.9824461273 -5.1563669211 1620 MN CORE -12.5102428030 -3.8729951581 -5.1563669217 1621 MN CORE 7.7482260378 1.8064091196 -9.9710377056 1622 MN CORE 7.7482260378 -4.0490321657 -9.9710377062 1623 MN CORE 7.7482260378 7.6618504050 -9.9710377051 1624 P CORE 3.9728752765 4.8344980796 -12.8945538005 1625 O CORE 3.8974215447 4.7083404762 -11.2980625243 1626 O SHEL 3.8813091578 4.6966538638 -11.3033592722 1627 O CORE 3.1696945170 3.6030083623 -13.5571475931 1628 O SHEL 3.1521865264 3.5895636965 -13.5310861716 1629 O CORE 3.1980298853 6.1171884371 -13.5040013243 1630 O SHEL 3.1911536269 6.1262983881 -13.4909142199 1631 O CORE 5.4637683913 4.9402654677 -13.4808801087 1632 O SHEL 5.4587646419 4.9515143921 -13.4685815973 1633 LI CORE 10.1292344375 -2.0665860389 -7.6146708564 1634 LI CORE -10.1292343691 -2.0665860389 -7.6146710000 1635 LI CORE 10.1292344375 3.7888552465 -7.6146708559 1636 LI CORE -10.1292343691 3.7888552465 -7.6146709995 1637 MN CORE 2.6836088211 -9.9044734513 -7.8454256278 1638 MN CORE -7.4456255822 -9.9044734513 -7.8454256996 1639 P CORE -4.2370672376 13.5946132127 2.3585196943 1640 O CORE -3.5418042756 12.3391301824 3.1481210829 1641 O SHEL -3.5384724175 12.3574037702 3.1497311948 1642 O CORE -3.8484440065 13.6216143200 0.8177471846 1643 O SHEL -3.7972744426 13.6218437836 0.8084387757 1644 O CORE -5.8015652194 13.5693199018 2.6386645223 1645 O SHEL -5.8335183230 13.5614610507 2.5993160898 1646 O CORE -3.3720818895 14.7482784158 3.1148527559 1647 O SHEL -3.3478392233 14.7147599142 3.1227107568 1648 P CORE -16.2855936326 -1.0456428331 1.5494588395 1649 O CORE -14.7947005177 -1.1514102211 0.9631325313 1650 O SHEL -14.7997042671 -1.1626591455 0.9754310427 1651 O CORE -16.3610473643 -0.9194852300 3.1459501157 1652 O SHEL -16.3771597513 -0.9077986176 3.1406533678 1653 O CORE -17.0887743921 0.1858468843 0.8868650472 1654 O SHEL -17.1062823826 0.1992915501 0.9129264686 1655 O CORE -17.0604390238 -2.3283331904 0.9400113154 1656 O SHEL -17.0673152821 -2.3374431415 0.9530984198 1657 P CORE -4.2370672035 13.6160071742 -2.4561512338 1658 O CORE -3.3720818554 12.4623419709 -1.6998181724 1659 O SHEL -3.3478391892 12.4958604726 -1.6919601715 1660 O CORE -5.8015651852 13.6413004850 -2.1760064058 1661 O SHEL -5.8335182888 13.6491593362 -2.2153548382 1662 O CORE -3.8484439723 13.5890060672 -3.9969237434 1663 O SHEL -3.7972744084 13.5887766036 -4.0062321524 1664 O CORE -3.5418042414 14.8714902043 -1.6665498450 1665 O SHEL -3.5384723834 14.8532166165 -1.6649397330 1666 FE CORE -13.0552740082 4.7984853147 2.0037107051 1667 FE CORE 7.2031947984 10.6539266000 2.0037108492 1668 P CORE 5.8921670974 1.8837306411 11.9878616211 1669 O CORE 6.2807903285 1.9107317484 10.4470891114 1670 O SHEL 6.3319598924 1.9109612120 10.4377807025 1671 O CORE 4.3276691156 1.8584373302 12.2680064491 1672 O SHEL 4.2957160120 1.8505784791 12.2286580166 1673 O CORE 6.5874300594 0.6282476108 12.7774630097 1674 O SHEL 6.5907619175 0.6465211986 12.7790731216 1675 O CORE 6.7571524455 3.0373958442 12.7441946827 1676 O SHEL 6.7813951117 3.0038773426 12.7520526836 1677 P CORE 5.8921670974 -3.9717106443 11.9878616205 1678 O CORE 6.2807903285 -3.9447095370 10.4470891109 1679 O SHEL 6.3319598924 -3.9444800734 10.4377807019 1680 O CORE 4.3276691156 -3.9970039552 12.2680064485 1681 O SHEL 4.2957160120 -4.0048628063 12.2286580161 1682 O CORE 6.7571524455 -2.8180454411 12.7441946822 1683 O SHEL 6.7813951117 -2.8515639428 12.7520526830 1684 O CORE 6.5874300594 -5.2271936746 12.7774630091 1685 O SHEL 6.5907619175 -5.2089200868 12.7790731210 1686 FE CORE -13.0552739741 4.8458112162 -2.8109602230 1687 FE CORE 7.2031947642 10.7012525007 6.8183817773 1688 FE CORE 7.2031948325 10.7012525016 -2.8109600788 1689 MN CORE -2.3810085363 -3.8729951599 14.1023168623 1690 P CORE 5.8921672681 1.9051246044 -12.0854930192 1691 O CORE 4.3276692864 1.9304179152 -11.8053481912 1692 O SHEL 4.2957161828 1.9382767664 -11.8446966236 1693 O CORE 6.7571526162 0.7514594011 -11.3291599578 1694 O SHEL 6.7813952824 0.7849779028 -11.3213019569 1695 O CORE 6.5874302302 3.1606076345 -11.2958916304 1696 O SHEL 6.5907620882 3.1423340467 -11.2942815184 1697 O CORE 6.2807904993 1.8781234974 -13.6262655288 1698 O SHEL 6.3319600632 1.8778940338 -13.6355739378 1699 P CORE 5.8921672681 -3.9503166809 -12.0854930197 1700 O CORE 4.3276692864 -3.9250233701 -11.8053481917 1701 O SHEL 4.2957161828 -3.9171645190 -11.8446966242 1702 O CORE 6.5874302302 -2.6948336508 -11.2958916309 1703 O SHEL 6.5907620882 -2.7131072386 -11.2942815190 1704 O CORE 6.7571526162 -5.1039818843 -11.3291599583 1705 O SHEL 6.7813952824 -5.0704633826 -11.3213019574 1706 O CORE 6.2807904993 -3.9773177880 -13.6262655294 1707 O SHEL 6.3319600632 -3.9775472516 -13.6355739383 1708 P CORE -9.3016844843 1.8837306414 8.7130423729 1709 O CORE -8.6064215111 0.6282476112 7.9234409939 1710 O SHEL -8.6030896530 0.6465211991 7.9218308820 1711 O CORE -8.4366991255 3.0373958447 7.9567093237 1712 O SHEL -8.4124564592 3.0038773430 7.9488513232 1713 O CORE -8.9130612750 1.9107317484 10.2538148880 1714 O SHEL -8.8618917113 1.9109612120 10.2631232977 1715 O CORE -10.8661824621 1.8584373306 8.4328975227 1716 O SHEL -10.8981355663 1.8505784794 8.4722459547 1717 P CORE -9.3016844843 -3.9717106440 8.7130423723 1718 O CORE -8.4366991255 -2.8180454407 7.9567093232 1719 O SHEL -8.4124564592 -2.8515639424 7.9488513227 1720 O CORE -8.6064215111 -5.2271936741 7.9234409934 1721 O SHEL -8.6030896530 -5.2089200863 7.9218308815 1722 O CORE -8.9130612750 -3.9447095370 10.2538148875 1723 O SHEL -8.8618917113 -3.9444800734 10.2631232971 1724 O CORE -10.8661824621 -3.9970039548 8.4328975221 1725 O SHEL -10.8981355663 -4.0048628059 8.4722459541 1726 P CORE -9.3016844843 7.7391719267 8.7130423734 1727 O CORE -8.6064215111 6.4836888966 7.9234409945 1728 O SHEL -8.6030896530 6.5019624844 7.9218308826 1729 O CORE -8.4366991255 8.8928371300 7.9567093243 1730 O SHEL -8.4124564592 8.8593186283 7.9488513238 1731 O CORE -8.9130612750 7.7661730337 10.2538148886 1732 O SHEL -8.8618917113 7.7664024973 10.2631232982 1733 O CORE -10.8661824621 7.7138786159 8.4328975232 1734 O SHEL -10.8981355663 7.7060197648 8.4722459552 1735 LI CORE 10.1292343692 -7.9220273251 2.0146709991 1736 LI CORE -10.1292344374 -7.9220273251 2.0146708555 1737 LI CORE 10.1292344375 -7.9220273242 -7.6146708570 1738 LI CORE -10.1292343691 -7.9220273242 -7.6146710006 1739 P CORE 3.9728751057 -6.9010841193 11.1788008386 1740 O CORE 3.1696943462 -5.6695944019 10.5162070463 1741 O SHEL 3.1521863557 -5.6561497361 10.5422684678 1742 O CORE 3.1980297145 -8.1837744767 10.5693533146 1743 O SHEL 3.1911534562 -8.1928844277 10.5824404190 1744 O CORE 5.4637682206 -7.0068515074 10.5924745305 1745 O SHEL 5.4587644712 -7.0181004318 10.6047730419 1746 O CORE 3.8974213740 -6.7749265162 12.7752921149 1747 O SHEL 3.8813089870 -6.7632399038 12.7699953670 1748 P CORE -6.1563592976 -6.9010841193 11.1788007668 1749 O CORE -4.6654661827 -7.0068515074 10.5924744587 1750 O SHEL -4.6704699321 -7.0181004318 10.6047729701 1751 O CORE -6.9595400571 -5.6695944019 10.5162069745 1752 O SHEL -6.9770480476 -5.6561497361 10.5422683960 1753 O CORE -6.9312046888 -8.1837744767 10.5693532428 1754 O SHEL -6.9380809471 -8.1928844277 10.5824403472 1755 O CORE -6.2318130293 -6.7749265162 12.7752920431 1756 O SHEL -6.2479254163 -6.7632399038 12.7699952952 1757 FE CORE 2.1385776491 -12.7205126396 -5.3761614057 1758 P CORE -11.2209764533 -6.8763844927 4.7074321985 1759 O CORE -9.7300833468 -6.7706171047 5.2937585277 1760 O SHEL -9.7350870960 -6.7593681803 5.2814600163 1761 O CORE -11.2964301625 -7.0025420959 3.1109409211 1762 O SHEL -11.3125425494 -7.0142287082 3.1162376688 1763 O CORE -11.9958218532 -5.5936941354 5.3168797115 1764 O SHEL -12.0026981113 -5.5845841843 5.3037926070 1765 O CORE -12.0241572223 -8.1078742101 5.3700259794 1766 O SHEL -12.0416652124 -8.1213188759 5.3439645576 1767 P CORE -11.2209763850 -6.8763844918 -4.9219096576 1768 O CORE -9.7300832785 -6.7706171038 -4.3355833284 1769 O SHEL -9.7350870277 -6.7593681794 -4.3478818398 1770 O CORE -11.9958217849 -5.5936941345 -4.3124621446 1771 O SHEL -12.0026980430 -5.5845841834 -4.3255492491 1772 O CORE -12.0241571540 -8.1078742092 -4.2593158767 1773 O SHEL -12.0416651441 -8.1213188750 -4.2853772985 1774 O CORE -11.2964300942 -7.0025420950 -6.5184009350 1775 O SHEL -11.3125424811 -7.0142287073 -6.5131041873 1776 P CORE -11.2209764192 -6.9010841183 -0.1072387296 1777 O CORE -9.7300833127 -7.0068515064 0.4790875997 1778 O SHEL -9.7350870619 -7.0181004308 0.4667890882 1779 O CORE -12.0241571881 -5.6695944010 0.5553550515 1780 O SHEL -12.0416651783 -5.6561497352 0.5292936298 1781 O CORE -11.2964301283 -6.7749265148 -1.7037300069 1782 O SHEL -11.3125425153 -6.7632399025 -1.6984332592 1783 O CORE -11.9958218191 -8.1837744757 0.5022087832 1784 O SHEL -12.0026980772 -8.1928844268 0.4891216787 1785 LI CORE 5.0646172541 -7.9220273240 -10.2017924434 1786 LI CORE -5.0646171492 -7.9220273240 -10.2017925152 1787 MN CORE -2.3810084338 -15.7599147373 -0.3416959230 1788 MN CORE -2.3810084680 13.6933286971 4.4729750079 1789 FE CORE -7.9906567201 -1.0569559696 -10.1908324044 1790 FE CORE -7.9906567201 4.7984853158 -10.1908324039 1791 FE CORE -7.9906567201 -6.9123972549 -10.1908324050 1792 FE CORE -2.9260395366 10.6539266009 -7.6256310787 1793 FE CORE 7.2031948667 10.6539266009 -7.6256310069 1794 LI CORE 0.0000000683 5.8554412862 -12.4293418556 1795 LI CORE 0.0000000683 -5.8554412845 -12.4293418567 1796 P CORE 0.8275500556 7.7391719285 -10.5456412670 1797 O CORE 1.2161732649 7.7661730355 -9.0048687518 1798 O SHEL 1.2673428286 7.7664024991 -8.9955603422 1799 O CORE 1.5228130288 6.4836888984 -11.3352426459 1800 O SHEL 1.5261448869 6.5019624862 -11.3368527578 1801 O CORE -0.7369479222 7.7138786177 -10.8257861172 1802 O SHEL -0.7689010264 7.7060197666 -10.7864376852 1803 O CORE 1.6925354144 8.8928371318 -11.3019743161 1804 O SHEL 1.7167780807 8.8593186301 -11.3098323166 1805 P CORE -14.3663016068 -3.9503166818 -2.4561513072 1806 O CORE -13.6710386447 -2.6948336517 -1.6665499184 1807 O SHEL -13.6677067867 -2.7131072395 -1.6649398065 1808 O CORE -13.5013162587 -5.1039818852 -1.6998182458 1809 O SHEL -13.4770735925 -5.0704633835 -1.6919602449 1810 O CORE -13.9776783756 -3.9773177889 -3.9969238169 1811 O SHEL -13.9265088117 -3.9775472525 -4.0062322258 1812 O CORE -15.9307995885 -3.9250233710 -2.1760064792 1813 O SHEL -15.9627526921 -3.9171645199 -2.2153549117 1814 P CORE -14.3663016409 -3.9717106434 2.3585196208 1815 O CORE -13.5013162928 -2.8180454402 3.1148526825 1816 O SHEL -13.4770736266 -2.8515639419 3.1227106833 1817 O CORE -13.6710386789 -5.2271936737 3.1481210094 1818 O SHEL -13.6677068208 -5.2089200859 3.1497311213 1819 O CORE -13.9776784098 -3.9447095361 0.8177471112 1820 O SHEL -13.9265088459 -3.9444800725 0.8084387022 1821 O CORE -15.9307996227 -3.9970039543 2.6386644488 1822 O SHEL -15.9627527263 -4.0048628054 2.5993160164 1823 P CORE 16.0214015690 1.8837306420 2.3585198368 1824 O CORE 14.4569035872 1.8584373311 2.6386646648 1825 O SHEL 14.4249504836 1.8505784800 2.5993162323 1826 O CORE 16.4100248001 1.9107317493 0.8177473271 1827 O SHEL 16.4611943640 1.9109612129 0.8084389182 1828 O CORE 16.7166645310 0.6282476117 3.1481212254 1829 O SHEL 16.7199963891 0.6465211995 3.1497313373 1830 O CORE 16.8863869171 3.0373958451 3.1148528984 1831 O SHEL 16.9106295833 3.0038773435 3.1227108993 1832 MN CORE 2.6836087528 -15.7599147375 1.7839162277 1833 P CORE 16.0214016031 1.9051246035 -2.4561510913 1834 O CORE 14.4569036214 1.9304179143 -2.1760062633 1835 O SHEL 14.4249505178 1.9382767655 -2.2153546957 1836 O CORE 16.8863869512 0.7514594002 -1.6998180299 1837 O SHEL 16.9106296174 0.7849779019 -1.6919600290 1838 O CORE 16.7166645652 3.1606076336 -1.6665497025 1839 O SHEL 16.7199964232 3.1423340458 -1.6649395905 1840 O CORE 16.4100248343 1.8781234965 -3.9969236009 1841 O SHEL 16.4611943982 1.8778940329 -4.0062320099 1842 P CORE 0.8275499190 -9.8271519293 8.7130424436 1843 O CORE 1.6925352778 -8.6734867260 7.9567093944 1844 O SHEL 1.7167779441 -8.7070052277 7.9488513939 1845 O CORE -0.7369480588 -9.8524452401 8.4328975934 1846 O SHEL -0.7689011630 -9.8603040913 8.4722460254 1847 O CORE 1.5228128922 -11.0826349595 7.9234410646 1848 O SHEL 1.5261447503 -11.0643613716 7.9218309527 1849 O CORE 1.2161731283 -9.8001508223 10.2538149587 1850 O SHEL 1.2673426920 -9.7999213587 10.2631233684 1851 LI CORE -0.0000000683 11.7108825698 6.8293418572 1852 LI CORE -0.0000000683 -11.7108825716 6.8293418550 1853 FE CORE -2.9260396732 -6.9123972569 11.6330526319 1854 P CORE 9.0374923191 -1.0456428338 9.5221032706 1855 O CORE 8.9620386100 -0.9194852304 7.9256119933 1856 O SHEL 8.9459262230 -0.9077986180 7.9309087410 1857 O CORE 8.2343115502 0.1858468834 10.1846970518 1858 O SHEL 8.2168035600 0.1992915492 10.1586356301 1859 O CORE 8.2626469192 -2.3283331913 10.1315507834 1860 O SHEL 8.2557706611 -2.3374431424 10.1184636789 1861 O CORE 10.5283854256 -1.1514102220 10.1084295999 1862 O SHEL 10.5233816764 -1.1626591464 10.0961310885 1863 P CORE 9.0374923191 4.8097984515 9.5221032712 1864 O CORE 8.9620386100 4.9359560550 7.9256119939 1865 O SHEL 8.9459262230 4.9476426673 7.9309087416 1866 O CORE 8.2626469192 3.5271080941 10.1315507840 1867 O SHEL 8.2557706611 3.5179981430 10.1184636795 1868 O CORE 8.2343115502 6.0412881688 10.1846970523 1869 O SHEL 8.2168035600 6.0547328346 10.1586356306 1870 O CORE 10.5283854256 4.7040310634 10.1084296005 1871 O SHEL 10.5233816764 4.6927821390 10.0961310890 1872 P CORE 9.0374923191 -6.9010841192 9.5221032701 1873 O CORE 8.9620386100 -6.7749265157 7.9256119928 1874 O SHEL 8.9459262230 -6.7632399034 7.9309087405 1875 O CORE 8.2343115502 -5.6695944019 10.1846970512 1876 O SHEL 8.2168035600 -5.6561497361 10.1586356295 1877 O CORE 8.2626469192 -8.1837744766 10.1315507829 1878 O SHEL 8.2557706611 -8.1928844277 10.1184636784 1879 O CORE 10.5283854256 -7.0068515073 10.1084295994 1880 O SHEL 10.5233816764 -7.0181004317 10.0961310879 1881 MN CORE 2.6836087869 -15.5838777290 -3.0307547003 1882 FE CORE -7.9906567884 10.6539266002 -0.5614905472 1883 FE CORE 2.1385776149 16.5093678856 -0.5614904749 1884 MN CORE -2.3810083314 -3.8729951572 -14.7857087060 1885 FE CORE -7.9906568225 10.7012525009 4.2531803808 1886 FE CORE -7.9906567542 10.7012525018 -5.3761614753 1887 P CORE 10.9567843906 7.7391719276 -0.9162993391 1888 O CORE 9.3922864128 7.7138786168 -1.1964441893 1889 O SHEL 9.3603333086 7.7060197657 -1.1570957573 1890 O CORE 11.3454075999 7.7661730346 0.6244731761 1891 O SHEL 11.3965771636 7.7664024982 0.6337815857 1892 O CORE 11.6520473638 6.4836888975 -1.7059007180 1893 O SHEL 11.6553792219 6.5019624853 -1.7075108299 1894 O CORE 11.8217697494 8.8928371309 -1.6726323882 1895 O SHEL 11.8460124157 8.8593186292 -1.6804903887 1896 LI CORE 5.0646171175 9.6442965302 9.0568912704 1897 LI CORE -5.0646172858 9.6442965302 9.0568911986 1898 P CORE 10.9567843564 7.7605658883 3.8983715890 1899 O CORE 9.3922863786 7.7858591991 3.6182267388 1900 O SHEL 9.3603332745 7.7937180502 3.6575751708 1901 O CORE 11.8217697153 6.6069006851 3.1420385396 1902 O SHEL 11.8460123816 6.6404191868 3.1341805391 1903 O CORE 11.3454075657 7.7335647810 5.4391441041 1904 O SHEL 11.3965771295 7.7333353173 5.4484525138 1905 O CORE 11.6520473297 9.0160489185 3.1087702103 1906 O SHEL 11.6553791877 8.9977753307 3.1071600984 1907 P CORE 10.9567844247 7.7605658892 -5.7309702671 1908 O CORE 9.3922864469 7.7858592000 -6.0111151173 1909 O SHEL 9.3603333428 7.7937180511 -5.9717666853 1910 O CORE 11.3454076340 7.7335647819 -4.1901977520 1911 O SHEL 11.3965771978 7.7333353182 -4.1808893423 1912 O CORE 11.8217697836 6.6069006860 -6.4873033165 1913 O SHEL 11.8460124499 6.6404191877 -6.4951613170 1914 O CORE 11.6520473980 9.0160489194 -6.5205716458 1915 O SHEL 11.6553792560 8.9977753316 -6.5221817577 1916 FE CORE 2.1385775125 4.8458112147 13.8825223082 1917 P CORE 3.9728752423 10.6652397385 -8.0798828719 1918 O CORE 3.8974215106 10.7913973416 -6.4833915957 1919 O SHEL 3.8813091236 10.8030839540 -6.4886883436 1920 O CORE 3.1980298511 9.3825493812 -8.6893303960 1921 O SHEL 3.1911535928 9.3734394301 -8.6762432916 1922 O CORE 5.4637683572 10.5594723505 -8.6662091801 1923 O SHEL 5.4587646078 10.5482234261 -8.6539106687 1924 O CORE 3.1696944828 11.8967294559 -8.7424766642 1925 O SHEL 3.1521864923 11.9101741217 -8.7164152428 1926 P CORE -6.1563591610 10.6652397385 -8.0798829437 1927 O CORE -6.2318128927 10.7913973416 -6.4833916675 1928 O SHEL -6.2479252797 10.8030839540 -6.4886884154 1929 O CORE -4.6654660461 10.5594723505 -8.6662092519 1930 O SHEL -4.6704697955 10.5482234261 -8.6539107405 1931 O CORE -6.9312045522 9.3825493812 -8.6893304678 1932 O SHEL -6.9380808105 9.3734394301 -8.6762433634 1933 O CORE -6.9595399205 11.8967294559 -8.7424767360 1934 O SHEL -6.9770479110 11.9101741217 -8.7164153146 1935 P CORE 9.0374924557 -1.0456428320 -9.7365804416 1936 O CORE 8.2343116868 0.1858468852 -9.0739866604 1937 O SHEL 8.2168036966 0.1992915510 -9.1000480821 1938 O CORE 8.2626470558 -2.3283331895 -9.1271329288 1939 O SHEL 8.2557707977 -2.3374431406 -9.1402200333 1940 O CORE 10.5283855622 -1.1514102202 -9.1502541123 1941 O SHEL 10.5233818130 -1.1626591446 -9.1625526237 1942 O CORE 8.9620387466 -0.9194852286 -11.3330717189 1943 O SHEL 8.9459263596 -0.9077986162 -11.3277749712 1944 P CORE 9.0374924557 4.8097984533 -9.7365804410 1945 O CORE 8.2626470558 3.5271080959 -9.1271329282 1946 O SHEL 8.2557707977 3.5179981448 -9.1402200327 1947 O CORE 8.2343116868 6.0412881706 -9.0739866599 1948 O SHEL 8.2168036966 6.0547328364 -9.1000480816 1949 O CORE 10.5283855622 4.7040310652 -9.1502541117 1950 O SHEL 10.5233818130 4.6927821408 -9.1625526232 1951 O CORE 8.9620387466 4.9359560568 -11.3330717183 1952 O SHEL 8.9459263596 4.9476426691 -11.3277749706 1953 P CORE 9.0374924557 -6.9010841174 -9.7365804421 1954 O CORE 8.2343116868 -5.6695944001 -9.0739866610 1955 O SHEL 8.2168036966 -5.6561497343 -9.1000480827 1956 O CORE 8.2626470558 -8.1837744748 -9.1271329293 1957 O SHEL 8.2557707977 -8.1928844259 -9.1402200338 1958 O CORE 10.5283855622 -7.0068515055 -9.1502541128 1959 O SHEL 10.5233818130 -7.0181004299 -9.1625526243 1960 O CORE 8.9620387466 -6.7749265139 -11.3330717194 1961 O SHEL 8.9459263596 -6.7632399016 -11.3277749717 1962 FE CORE 7.2031947301 -1.0569559716 11.6330527042 1963 FE CORE 7.2031947301 4.7984853138 11.6330527048 1964 FE CORE 7.2031947301 -6.9123972569 11.6330527037 1965 LI CORE 5.0646171858 -13.7774686103 -0.5724505879 1966 LI CORE -5.0646172175 -13.7774686103 -0.5724506597 1967 MN CORE -2.3810083997 13.6933286980 -5.1563668482 1968 MN CORE -7.4456257188 1.8064091176 11.4132580137 1969 MN CORE -7.4456257188 -4.0490321677 11.4132580131 1970 P CORE -6.1563591951 -12.7318257774 -3.2652120179 1971 O CORE -6.9312045863 -11.4491354199 -3.8746595417 1972 O SHEL -6.9380808447 -11.4400254688 -3.8615724373 1973 O CORE -6.2318129269 -12.8579833808 -1.6687207416 1974 O SHEL -6.2479253138 -12.8696699932 -1.6740174895 1975 O CORE -4.6654660803 -12.6260583892 -3.8515383260 1976 O SHEL -4.6704698297 -12.6148094648 -3.8392398146 1977 O CORE -6.9595399546 -13.9633154946 -3.9278058104 1978 O SHEL -6.9770479452 -13.9767601604 -3.9017443889 1979 MN CORE 2.6836086503 1.9824461253 16.2279290135 1980 P CORE 14.1021095773 4.8097984523 1.5494590554 1981 O CORE 13.3272641861 3.5271080949 0.9400115314 1982 O SHEL 13.3203879278 3.5179981439 0.9530986358 1983 O CORE 13.2989288178 6.0412881697 0.8868652631 1984 O SHEL 13.2814208273 6.0547328355 0.9129266846 1985 O CORE 14.0266558456 4.9359560554 3.1459503317 1986 O SHEL 14.0105434586 4.9476426678 3.1406535838 1987 O CORE 15.5930026922 4.7040310642 0.9631327473 1988 O SHEL 15.5879989428 4.6927821398 0.9754312587 1989 P CORE -6.1563592293 -12.7565254038 1.5494589102 1990 O CORE -6.9595399888 -11.5250356864 0.8868651179 1991 O SHEL -6.9770479793 -11.5115910206 0.9129265393 1992 O CORE -4.6654661144 -12.8622927918 0.9631326020 1993 O SHEL -4.6704698638 -12.8735417162 0.9754311134 1994 O CORE -6.2318129610 -12.6303678007 3.1459501864 1995 O SHEL -6.2479253480 -12.6186811883 3.1406534385 1996 O CORE -6.9312046205 -14.0392157611 0.9400113861 1997 O SHEL -6.9380808788 -14.0483257122 0.9530984905 1998 LI CORE 5.0646170834 -0.0000000016 13.8715621976 1999 LI CORE -5.0646173199 -0.0000000016 13.8715621258 2000 P CORE 14.1021096115 4.8344980787 -3.2652118726 2001 O CORE 13.2989288520 3.6030083614 -3.9278056652 2002 O SHEL 13.2814208614 3.5895636956 -3.9017442437 2003 O CORE 14.0266558797 4.7083404753 -1.6687205964 2004 O SHEL 14.0105434928 4.6966538629 -1.6740173443 2005 O CORE 13.3272642203 6.1171884362 -3.8746593964 2006 O SHEL 13.3203879619 6.1262983872 -3.8615722920 2007 O CORE 15.5930027263 4.9402654668 -3.8515381808 2008 O SHEL 15.5879989769 4.9515143912 -3.8392396694 2009 LI CORE 15.1938515891 3.7888552458 -0.5724505144 2010 LI CORE -15.1938516208 3.7888552458 -0.5724507298 2011 P CORE -6.1563591268 -1.0209432058 -12.8945538729 2012 O CORE -6.2318128586 -1.1471008092 -11.2980625966 2013 O SHEL -6.2479252455 -1.1587874216 -11.3033593445 2014 O CORE -4.6654660120 -0.9151758176 -13.4808801810 2015 O SHEL -4.6704697614 -0.9039268932 -13.4685816696 2016 O CORE -6.9312045180 0.2617471517 -13.5040013967 2017 O SHEL -6.9380807764 0.2708571028 -13.4909142923 2018 O CORE -6.9595398863 -2.2524329230 -13.5571476654 2019 O SHEL -6.9770478769 -2.2658775888 -13.5310862439 2020 P CORE -6.1563591268 4.8344980796 -12.8945538723 2021 O CORE -6.2318128586 4.7083404762 -11.2980625961 2022 O SHEL -6.2479252455 4.6966538638 -11.3033593440 2023 O CORE -4.6654660120 4.9402654677 -13.4808801805 2024 O SHEL -4.6704697614 4.9515143921 -13.4685816691 2025 O CORE -6.9595398863 3.6030083623 -13.5571476649 2026 O SHEL -6.9770478769 3.5895636965 -13.5310862434 2027 O CORE -6.9312045180 6.1171884371 -13.5040013961 2028 O SHEL -6.9380807764 6.1262983881 -13.4909142917 2029 MN CORE 2.6836086845 7.6618504030 11.4132580860 2030 MN CORE -7.4456257188 7.6618504030 11.4132580142 2031 P CORE 3.9728751399 -12.7318257783 6.3641299100 2032 O CORE 3.1980297487 -11.4491354208 5.7546823862 2033 O SHEL 3.1911534903 -11.4400254697 5.7677694906 2034 O CORE 5.4637682547 -12.6260583901 5.7778036019 2035 O SHEL 5.4587645053 -12.6148094657 5.7901021133 2036 O CORE 3.8974214081 -12.8579833817 7.9606211863 2037 O SHEL 3.8813090212 -12.8696699941 7.9553244384 2038 O CORE 3.1696943804 -13.9633154955 5.7015361175 2039 O SHEL 3.1521863898 -13.9767601613 5.7275975390 2040 P CORE -6.1563592634 -12.7318257783 6.3641298382 2041 O CORE -6.9312046546 -11.4491354208 5.7546823144 2042 O SHEL -6.9380809130 -11.4400254697 5.7677694188 2043 O CORE -4.6654661486 -12.6260583901 5.7778035301 2044 O SHEL -4.6704698980 -12.6148094657 5.7901020415 2045 O CORE -6.2318129952 -12.8579833817 7.9606211145 2046 O SHEL -6.2479253821 -12.8696699941 7.9553243666 2047 O CORE -6.9595400229 -13.9633154955 5.7015360457 2048 O SHEL -6.9770480135 -13.9767601613 5.7275974672 2049 P CORE -9.3016844502 -9.8057579678 3.8983714437 2050 O CORE -8.6064214769 -8.5502749375 3.1087700650 2051 O SHEL -8.6030896189 -8.5685485253 3.1071599531 2052 O CORE -8.9130612409 -9.8327590751 5.4391439589 2053 O SHEL -8.8618916771 -9.8329885387 5.4484523685 2054 O CORE -8.4366990913 -10.9594231709 3.1420383944 2055 O SHEL -8.4124564250 -10.9259046693 3.1341803939 2056 O CORE -10.8661824280 -9.7804646569 3.6182265935 2057 O SHEL -10.8981355321 -9.7726058058 3.6575750255 2058 P CORE -9.3016843819 -9.8057579669 -5.7309704124 2059 O CORE -8.9130611726 -9.8327590742 -4.1901978972 2060 O SHEL -8.8618916088 -9.8329885378 -4.1808894876 2061 O CORE -8.6064214086 -8.5502749366 -6.5205717911 2062 O SHEL -8.6030895506 -8.5685485244 -6.5221819030 2063 O CORE -8.4366990230 -10.9594231700 -6.4873034617 2064 O SHEL -8.4124563567 -10.9259046684 -6.4951614622 2065 O CORE -10.8661823597 -9.7804646560 -6.0111152626 2066 O SHEL -10.8981354638 -9.7726058049 -5.9717668306 2067 P CORE -9.3016844160 -9.8271519284 -0.9162994843 2068 O CORE -8.4366990572 -8.6734867251 -1.6726325335 2069 O SHEL -8.4124563909 -8.7070052268 -1.6804905340 2070 O CORE -8.9130612067 -9.8001508214 0.6244730308 2071 O SHEL -8.8618916430 -9.7999213578 0.6337814405 2072 O CORE -8.6064214428 -11.0826349586 -1.7059008633 2073 O SHEL -8.6030895847 -11.0643613707 -1.7075109752 2074 O CORE -10.8661823938 -9.8524452392 -1.1964443345 2075 O SHEL -10.8981354980 -9.8603040904 -1.1570959025 2076 P CORE -9.3016844843 -9.8271519293 8.7130423718 2077 O CORE -8.4366991255 -8.6734867260 7.9567093226 2078 O SHEL -8.4124564592 -8.7070052277 7.9488513221 2079 O CORE -8.6064215111 -11.0826349595 7.9234409928 2080 O SHEL -8.6030896530 -11.0643613716 7.9218308809 2081 O CORE -8.9130612750 -9.8001508223 10.2538148869 2082 O SHEL -8.8618917113 -9.7999213587 10.2631232966 2083 O CORE -10.8661824621 -9.8524452401 8.4328975216 2084 O SHEL -10.8981355663 -9.8603040913 8.4722459536 2085 FE CORE 12.2678119841 -6.8650713551 4.2531805228 2086 FE CORE 12.2678120524 -6.8650713542 -5.3761613333 2087 P CORE -1.0917421183 4.8344980771 14.3367741275 2088 O CORE -1.1671958275 4.7083404739 12.7402828501 2089 O SHEL -1.1833082144 4.6966538616 12.7455795978 2090 O CORE -1.8949228873 3.6030083597 14.9993679084 2091 O SHEL -1.9124308774 3.5895636939 14.9733064866 2092 O CORE 0.3991509882 4.9402654651 14.9231004567 2093 O SHEL 0.3941472390 4.9515143895 14.9108019453 2094 O CORE -1.8665875182 6.1171884344 14.9462216405 2095 O SHEL -1.8734637763 6.1262983855 14.9331345360 2096 FE CORE -18.1198911917 -1.0569559705 -0.5614906201 2097 FE CORE 12.2678120182 -6.9123972558 -0.5614904053 2098 MN CORE -2.3810085021 -9.9044734529 9.2876459337 2099 MN CORE 7.7482259012 -9.9044734529 9.2876460055 2100 FE CORE -2.9260395025 -6.8650713536 -12.4403020084 2101 P CORE 0.8275500897 -3.9503166806 -15.3603121961 2102 O CORE 1.2161732990 -3.9773177879 -13.8195396810 2103 O SHEL 1.2673428628 -3.9775472516 -13.8102312713 2104 O CORE -0.7369478881 -3.9250233698 -15.6404570463 2105 O SHEL -0.7689009922 -3.9171645187 -15.6011086143 2106 O CORE 1.5228130630 -2.6948336504 -16.1499135748 2107 O SHEL 1.5261449210 -2.7131072382 -16.1515236867 2108 O CORE 1.6925354486 -5.1039818838 -16.1166452455 2109 O SHEL 1.7167781149 -5.0704633821 -16.1245032460 2110 LI CORE 0.0000001025 -2.0665860380 -17.2440127843 2111 FE CORE 17.3324292017 -1.0569559707 2.0037109199 2112 P CORE 0.8275500214 13.6160071745 -5.7309703384 2113 O CORE 1.2161732307 13.5890060672 -4.1901978232 2114 O SHEL 1.2673427945 13.5887766036 -4.1808894136 2115 O CORE 1.6925353803 12.4623419714 -6.4873033877 2116 O SHEL 1.7167780466 12.4958604730 -6.4951613882 2117 O CORE -0.7369479564 13.6413004854 -6.0111151886 2118 O SHEL -0.7689010605 13.6491593365 -5.9717667566 2119 O CORE 1.5228129947 14.8714902048 -6.5205717171 2120 O SHEL 1.5261448527 14.8532166170 -6.5221818290 2121 FE CORE -2.9260397074 -1.0096300709 16.4477235605 2122 MN CORE -17.5748600538 1.8064091185 1.7839160858 2123 P CORE -1.0917419134 4.8344980798 -14.5512514408 2124 O CORE -1.8949226824 3.6030083624 -13.8886576599 2125 O SHEL -1.9124306725 3.5895636966 -13.9147190817 2126 O CORE 0.3991511931 4.9402654678 -13.9649251116 2127 O SHEL 0.3941474439 4.9515143922 -13.9772236230 2128 O CORE -1.8665873133 6.1171884371 -13.9418039278 2129 O SHEL -1.8734635714 6.1262983882 -13.9548910323 2130 O CORE -1.1671956226 4.7083404766 -16.1477427182 2131 O SHEL -1.1833080095 4.6966538643 -16.1424459705 2132 MN CORE 12.8128431219 1.9824461262 6.5985872292 2133 MN CORE 12.8128431219 -3.8729951592 6.5985872287 2134 FE CORE -2.9260396049 16.5093678854 2.0037107780 2135 LI CORE 15.1938515550 -0.0000000007 4.2422204133 2136 LI CORE -15.1938516549 -0.0000000007 4.2422201979 2137 FE CORE -2.9260395708 16.5566937869 -2.8109601501 2138 P CORE 5.8921671657 13.5946132127 2.3585197661 2139 O CORE 6.5874301277 12.3391301824 3.1481211547 2140 O SHEL 6.5907619858 12.3574037702 3.1497312666 2141 O CORE 4.3276691839 13.5693199018 2.6386645941 2142 O SHEL 4.2957160803 13.5614610507 2.5993161616 2143 O CORE 6.2807903968 13.6216143200 0.8177472564 2144 O SHEL 6.3319599607 13.6218437836 0.8084388475 2145 O CORE 6.7571525138 14.7482784158 3.1148528277 2146 O SHEL 6.7813951800 14.7147599142 3.1227108286 2147 P CORE 5.8921671998 13.6160071742 -2.4561511620 2148 O CORE 6.7571525479 12.4623419709 -1.6998181006 2149 O SHEL 6.7813952141 12.4958604726 -1.6919600997 2150 O CORE 4.3276692181 13.6413004850 -2.1760063340 2151 O SHEL 4.2957161145 13.6491593362 -2.2153547664 2152 O CORE 6.2807904310 13.5890060672 -3.9969236716 2153 O SHEL 6.3319599949 13.5887766036 -4.0062320806 2154 O CORE 6.5874301619 14.8714902043 -1.6665497732 2155 O SHEL 6.5907620199 14.8532166165 -1.6649396612 2156 FE CORE -2.9260396391 -12.7205126407 6.8183817033 2157 P CORE -16.2855935984 -1.0209432067 -3.2652120886 2158 O CORE -14.7947004836 -0.9151758185 -3.8515383967 2159 O SHEL -14.7997042330 -0.9039268941 -3.8392398853 2160 O CORE -16.3610473302 -1.1471008101 -1.6687208123 2161 O SHEL -16.3771597171 -1.1587874225 -1.6740175602 2162 O CORE -17.0604389896 0.2617471508 -3.8746596124 2163 O SHEL -17.0673152480 0.2708571019 -3.8615725080 2164 O CORE -17.0887743579 -2.2524329239 -3.9278058811 2165 O SHEL -17.1062823485 -2.2658775897 -3.9017444596 2166 P CORE 0.8275499531 -15.6611992531 3.8983715150 2167 O CORE 1.5228129264 -14.4057162229 3.1087701363 2168 O SHEL 1.5261447844 -14.4239898107 3.1071600244 2169 O CORE -0.7369480247 -15.6359059423 3.6182266648 2170 O SHEL -0.7689011288 -15.6280470912 3.6575750968 2171 O CORE 1.2161731624 -15.6882003604 5.4391440301 2172 O SHEL 1.2673427262 -15.6884298241 5.4484524398 2173 O CORE 1.6925353120 -16.8148644563 3.1420384656 2174 O SHEL 1.7167779783 -16.7813459546 3.1341804651 2175 LI CORE -0.0000001024 -7.9220273260 11.6440127834 2176 FE CORE 7.2031949008 -1.0096300682 -12.4403019360 2177 FE CORE 7.2031949008 4.8458112171 -12.4403019355 2178 FE CORE 7.2031949008 -6.8650713536 -12.4403019366 2179 P CORE 10.9567843223 1.8837306414 8.7130425165 2180 O CORE 9.3922863445 1.8584373306 8.4328976663 2181 O SHEL 9.3603332403 1.8505784794 8.4722460983 2182 O CORE 11.6520472955 0.6282476112 7.9234411375 2183 O SHEL 11.6553791536 0.6465211991 7.9218310256 2184 O CORE 11.8217696811 3.0373958447 7.9567094673 2185 O SHEL 11.8460123474 3.0038773430 7.9488514668 2186 O CORE 11.3454075316 1.9107317484 10.2538150316 2187 O SHEL 11.3965770953 1.9109612120 10.2631234413 2188 P CORE 10.9567843223 -3.9717106440 8.7130425159 2189 O CORE 9.3922863445 -3.9970039548 8.4328976657 2190 O SHEL 9.3603332403 -4.0048628059 8.4722460977 2191 O CORE 11.8217696811 -2.8180454407 7.9567094668 2192 O SHEL 11.8460123474 -2.8515639424 7.9488514663 2193 O CORE 11.6520472955 -5.2271936741 7.9234411370 2194 O SHEL 11.6553791536 -5.2089200863 7.9218310251 2195 O CORE 11.3454075316 -3.9447095370 10.2538150311 2196 O SHEL 11.3965770953 -3.9444800734 10.2631234407 2197 P CORE 10.9567843223 7.7391719267 8.7130425170 2198 O CORE 9.3922863445 7.7138786159 8.4328976668 2199 O SHEL 9.3603332403 7.7060197648 8.4722460988 2200 O CORE 11.6520472955 6.4836888966 7.9234411381 2201 O SHEL 11.6553791536 6.5019624844 7.9218310262 2202 O CORE 11.3454075316 7.7661730337 10.2538150322 2203 O SHEL 11.3965770953 7.7664024973 10.2631234418 2204 O CORE 11.8217696811 8.8928371300 7.9567094679 2205 O SHEL 11.8460123474 8.8593186283 7.9488514674 2206 MN CORE 17.8774603728 1.8064091187 -0.3416957777 2207 P CORE 9.0374923874 10.6652397378 -0.1072385844 2208 O CORE 8.2626469875 9.3825493803 0.5022089284 2209 O SHEL 8.2557707294 9.3734394292 0.4891218239 2210 O CORE 8.2343116185 11.8967294550 0.5553551968 2211 O SHEL 8.2168036283 11.9101741208 0.5292937751 2212 O CORE 8.9620386783 10.7913973412 -1.7037298617 2213 O SHEL 8.9459262913 10.8030839536 -1.6984331140 2214 O CORE 10.5283854939 10.5594723496 0.4790877449 2215 O SHEL 10.5233817447 10.5482234252 0.4667892335 2216 P CORE -1.0917420159 -18.6119666890 -0.1072386589 2217 O CORE -1.8949227848 -17.3804769717 0.5553551222 2218 O SHEL -1.9124307750 -17.3670323059 0.5292937005 2219 O CORE 0.3991510906 -18.7177340771 0.4790876704 2220 O SHEL 0.3941473414 -18.7289830015 0.4667891589 2221 O CORE -1.1671957250 -18.4858090855 -1.7037299362 2222 O SHEL -1.1833081120 -18.4741224732 -1.6984331885 2223 O CORE -1.8665874158 -19.8946570464 0.5022088539 2224 O SHEL -1.8734636739 -19.9037669975 0.4891217494 2225 FE CORE 2.1385775466 10.6539265993 9.0678513807 2226 FE CORE -7.9906568567 10.6539265993 9.0678513089 2227 LI CORE 5.0646170834 5.8554412838 13.8715621981 2228 LI CORE 5.0646170834 -5.8554412869 13.8715621970 2229 LI CORE -5.0646173199 5.8554412838 13.8715621263 2230 LI CORE -5.0646173199 -5.8554412869 13.8715621252 2231 P CORE -4.2370673059 7.7391719264 11.9878615498 2232 O CORE -3.8484440748 7.7661730337 10.4470890402 2233 O SHEL -3.7972745109 7.7664024973 10.4377806312 2234 O CORE -3.5418043439 6.4836888961 12.7774629384 2235 O SHEL -3.5384724858 6.5019624839 12.7790730503 2236 O CORE -5.8015652877 7.7138786155 12.2680063778 2237 O SHEL -5.8335183913 7.7060197644 12.2286579454 2238 O CORE -3.3720819578 8.8928371296 12.7441946115 2239 O SHEL -3.3478392916 8.8593186279 12.7520526123 2240 P CORE 5.8921670974 7.7391719264 11.9878616216 2241 O CORE 6.2807903285 7.7661730337 10.4470891120 2242 O SHEL 6.3319598924 7.7664024973 10.4377807030 2243 O CORE 4.3276691156 7.7138786155 12.2680064496 2244 O SHEL 4.2957160120 7.7060197644 12.2286580172 2245 O CORE 6.5874300594 6.4836888961 12.7774630102 2246 O SHEL 6.5907619175 6.5019624839 12.7790731221 2247 O CORE 6.7571524455 8.8928371296 12.7441946833 2248 O SHEL 6.7813951117 8.8593186279 12.7520526841 2249 P CORE 9.0374923533 10.6899393633 4.7074323437 2250 O CORE 8.2343115843 9.4584496459 5.3700261246 2251 O SHEL 8.2168035942 9.4450049801 5.3439647029 2252 O CORE 8.9620386441 10.5637817602 3.1109410664 2253 O SHEL 8.9459262572 10.5520951478 3.1162378140 2254 O CORE 8.2626469534 11.9726297206 5.3168798567 2255 O SHEL 8.2557706953 11.9817396717 5.3037927522 2256 O CORE 10.5283854598 10.7957067513 5.2937586730 2257 O SHEL 10.5233817106 10.8069556757 5.2814601615 2258 P CORE 9.0374924216 10.6899393642 -4.9219095124 2259 O CORE 8.2343116526 9.4584496468 -4.2593157315 2260 O SHEL 8.2168036625 9.4450049810 -4.2853771532 2261 O CORE 8.2626470217 11.9726297215 -4.3124619994 2262 O SHEL 8.2557707636 11.9817396726 -4.3255491039 2263 O CORE 10.5283855281 10.7957067522 -4.3355831831 2264 O SHEL 10.5233817789 10.8069556766 -4.3478816946 2265 O CORE 8.9620387124 10.5637817611 -6.5184007897 2266 O SHEL 8.9459263255 10.5520951487 -6.5131040421 2267 P CORE 3.9728752765 -6.8763844911 -12.8945538016 2268 O CORE 3.8974215447 -7.0025420945 -11.2980625254 2269 O SHEL 3.8813091578 -7.0142287069 -11.3033592733 2270 O CORE 3.1980298853 -5.5936941336 -13.5040013254 2271 O SHEL 3.1911536269 -5.5845841826 -13.4909142210 2272 O CORE 5.4637683913 -6.7706171030 -13.4808801098 2273 O SHEL 5.4587646419 -6.7593681786 -13.4685815984 2274 O CORE 3.1696945170 -8.1078742084 -13.5571475942 2275 O SHEL 3.1521865264 -8.1213188742 -13.5310861727 2276 P CORE -6.1563591268 -6.8763844911 -12.8945538734 2277 O CORE -6.2318128586 -7.0025420945 -11.2980625972 2278 O SHEL -6.2479252455 -7.0142287069 -11.3033593451 2279 O CORE -4.6654660120 -6.7706171030 -13.4808801816 2280 O SHEL -4.6704697614 -6.7593681786 -13.4685816702 2281 O CORE -6.9312045180 -5.5936941336 -13.5040013972 2282 O SHEL -6.9380807764 -5.5845841826 -13.4909142928 2283 O CORE -6.9595398863 -8.1078742084 -13.5571476660 2284 O SHEL -6.9770478769 -8.1213188742 -13.5310862445 2285 LI CORE 10.1292343692 9.6442965309 2.0146710008 2286 LI CORE -10.1292344374 9.6442965309 2.0146708572 2287 LI CORE 10.1292344375 9.6442965318 -7.6146708553 2288 LI CORE -10.1292343691 9.6442965318 -7.6146709989 2289 P CORE -4.2370671352 7.7605658898 -12.0854930904 2290 O CORE -3.3720817871 6.6069006864 -11.3291600290 2291 O SHEL -3.3478391209 6.6404191881 -11.3213020281 2292 O CORE -3.5418041731 9.0160489199 -11.2958917016 2293 O SHEL -3.5384723151 8.9977753321 -11.2942815897 2294 O CORE -5.8015651169 7.7858592006 -11.8053482624 2295 O SHEL -5.8335182205 7.7937180517 -11.8446966949 2296 O CORE -3.8484439040 7.7335647827 -13.6262656001 2297 O SHEL -3.7972743401 7.7333353191 -13.6355740090 2298 P CORE 5.8921672681 7.7605658898 -12.0854930186 2299 O CORE 6.7571526162 6.6069006864 -11.3291599572 2300 O SHEL 6.7813952824 6.6404191881 -11.3213019563 2301 O CORE 4.3276692864 7.7858592006 -11.8053481906 2302 O SHEL 4.2957161828 7.7937180517 -11.8446966231 2303 O CORE 6.5874302302 9.0160489199 -11.2958916298 2304 O SHEL 6.5907620882 8.9977753321 -11.2942815179 2305 O CORE 6.2807904993 7.7335647827 -13.6262655283 2306 O SHEL 6.3319600632 7.7333353191 -13.6355739372 2307 LI CORE 5.0646172541 9.6442965320 -10.2017924418 2308 LI CORE -5.0646171492 9.6442965320 -10.2017925136 2309 P CORE -9.3016843477 1.8837306432 -10.5456413393 2310 O CORE -8.9130611384 1.9107317502 -9.0048688242 2311 O SHEL -8.8618915747 1.9109612138 -8.9955604145 2312 O CORE -8.6064213745 0.6282476130 -11.3352427183 2313 O SHEL -8.6030895164 0.6465212009 -11.3368528302 2314 O CORE -8.4366989889 3.0373958465 -11.3019743885 2315 O SHEL -8.4124563226 3.0038773448 -11.3098323890 2316 O CORE -10.8661823255 1.8584373324 -10.8257861895 2317 O SHEL -10.8981354297 1.8505784812 -10.7864377575 2318 P CORE -9.3016843477 -3.9717106422 -10.5456413399 2319 O CORE -8.9130611384 -3.9447095352 -9.0048688247 2320 O SHEL -8.8618915747 -3.9444800716 -8.9955604151 2321 O CORE -8.4366989889 -2.8180454389 -11.3019743890 2322 O SHEL -8.4124563226 -2.8515639406 -11.3098323895 2323 O CORE -8.6064213745 -5.2271936723 -11.3352427188 2324 O SHEL -8.6030895164 -5.2089200845 -11.3368528307 2325 O CORE -10.8661823255 -3.9970039530 -10.8257861901 2326 O SHEL -10.8981354297 -4.0048628041 -10.7864377581 2327 P CORE -9.3016843477 7.7391719285 -10.5456413388 2328 O CORE -8.9130611384 7.7661730355 -9.0048688236 2329 O SHEL -8.8618915747 7.7664024991 -8.9955604140 2330 O CORE -8.6064213745 6.4836888984 -11.3352427177 2331 O SHEL -8.6030895164 6.5019624862 -11.3368528296 2332 O CORE -8.4366989889 8.8928371318 -11.3019743879 2333 O SHEL -8.4124563226 8.8593186301 -11.3098323884 2334 O CORE -10.8661823255 7.7138786177 -10.8257861890 2335 O SHEL -10.8981354297 7.7060197666 -10.7864377570 2336 FE CORE 2.1385777174 4.8458112174 -15.0055032601 2337 FE CORE -13.0552740424 -1.0096300700 6.8183816326 2338 FE CORE -13.0552740424 4.8458112153 6.8183816331 2339 MN CORE -2.3810083655 -9.9044734511 -9.9710377785 2340 MN CORE 7.7482260378 -9.9044734511 -9.9710377067 2341 P CORE -4.2370672035 -15.6611992525 -2.4561512365 2342 O CORE -3.5418042414 -14.4057162224 -1.6665498477 2343 O SHEL -3.5384723834 -14.4239898102 -1.6649397358 2344 O CORE -5.8015651852 -15.6359059417 -2.1760064085 2345 O SHEL -5.8335182888 -15.6280470906 -2.2153548410 2346 O CORE -3.8484439723 -15.6882003596 -3.9969237462 2347 O SHEL -3.7972744084 -15.6884298232 -4.0062321551 2348 O CORE -3.3720818554 -16.8148644559 -1.6998181751 2349 O SHEL -3.3478391892 -16.7813459542 -1.6919601742 2350 P CORE -4.2370672376 -15.6825932141 2.3585196915 2351 O CORE -3.3720818895 -14.5289280109 3.1148527532 2352 O SHEL -3.3478392233 -14.5624465126 3.1227107540 2353 O CORE -3.8484440065 -15.6555921068 0.8177471819 2354 O SHEL -3.7972744426 -15.6553626432 0.8084387729 2355 O CORE -5.8015652194 -15.7078865250 2.6386645195 2356 O SHEL -5.8335183230 -15.7157453761 2.5993160871 2357 O CORE -3.5418042756 -16.9380762444 3.1481210801 2358 O SHEL -3.5384724175 -16.9198026566 3.1497311920 2359 FE CORE -13.0552740424 -6.8650713554 6.8183816320 2360 FE CORE -13.0552739741 -6.8650713545 -2.8109602241 2361 FE CORE 7.2031947642 -12.7205126407 6.8183817751 2362 FE CORE 7.2031948325 -12.7205126398 -2.8109600810 2363 P CORE 3.9728750716 -1.0209432085 15.9934717672 2364 O CORE 3.1980296804 0.2617471490 15.3840242434 2365 O SHEL 3.1911534220 0.2708571001 15.3971113478 2366 O CORE 3.1696943121 -2.2524329257 15.3308779747 2367 O SHEL 3.1521863215 -2.2658775915 15.3569393962 2368 O CORE 5.4637681864 -0.9151758203 15.4071454591 2369 O SHEL 5.4587644370 -0.9039268959 15.4194439705 2370 O CORE 3.8974213398 -1.1471008119 17.5899630435 2371 O SHEL 3.8813089529 -1.1587874243 17.5846662956 2372 FE CORE -13.0552740082 -6.9123972560 2.0037107040 2373 FE CORE 7.2031947984 -12.7678385414 2.0037108470 2374 P CORE 16.0214016031 -3.9503166818 -2.4561510918 2375 O CORE 14.4569036214 -3.9250233710 -2.1760062638 2376 O SHEL 14.4249505178 -3.9171645199 -2.2153546963 2377 O CORE 16.7166645652 -2.6948336517 -1.6665497030 2378 O SHEL 16.7199964232 -2.7131072395 -1.6649395911 2379 O CORE 16.4100248343 -3.9773177889 -3.9969236015 2380 O SHEL 16.4611943982 -3.9775472525 -4.0062320104 2381 O CORE 16.8863869512 -5.1039818852 -1.6998180304 2382 O SHEL 16.9106296174 -5.0704633835 -1.6919600295 2383 P CORE 16.0214015690 -3.9717106434 2.3585198362 2384 O CORE 14.4569035872 -3.9970039543 2.6386646642 2385 O SHEL 14.4249504836 -4.0048628054 2.5993162318 2386 O CORE 16.4100248001 -3.9447095361 0.8177473266 2387 O SHEL 16.4611943640 -3.9444800725 0.8084389176 2388 O CORE 16.8863869171 -2.8180454402 3.1148528979 2389 O SHEL 16.9106295833 -2.8515639419 3.1227108987 2390 O CORE 16.7166645310 -5.2271936737 3.1481212248 2391 O SHEL 16.7199963891 -5.2089200859 3.1497313367 2392 MN CORE -2.3810084680 -15.5838777297 4.4729750051 2393 LI CORE 5.0646172883 0.0000000011 -15.0164633707 2394 LI CORE -5.0646171150 0.0000000011 -15.0164634425 2395 MN CORE 2.6836086503 -3.8729951601 16.2279290130 2396 MN CORE -7.4456255481 1.9824461280 -12.6600966266 2397 MN CORE -7.4456255481 -3.8729951574 -12.6600966271 2398 FE CORE 17.3324292358 -1.0096300691 -2.8109600081 2399 MN CORE 2.6836088894 1.8064091203 -17.4747674828 2400 MN CORE -12.5102428371 7.6618504041 -0.3416959926 2401 FE CORE -2.9260394683 -1.0569559689 -17.2549729359 2402 P CORE -1.0917420842 10.6652397369 9.5221031999 2403 O CORE -1.1671957933 10.7913973403 7.9256119226 2404 O SHEL -1.1833081803 10.8030839527 7.9309086703 2405 O CORE -1.8665874841 9.3825493794 10.1315507127 2406 O SHEL -1.8734637422 9.3734394283 10.1184636082 2407 O CORE 0.3991510223 10.5594723487 10.1084295292 2408 O SHEL 0.3941472731 10.5482234243 10.0961310178 2409 O CORE -1.8949228531 11.8967294541 10.1846969811 2410 O SHEL -1.9124308433 11.9101741199 10.1586355594 2411 P CORE 9.0374923191 10.6652397369 9.5221032717 2412 O CORE 8.2626469192 9.3825493794 10.1315507845 2413 O SHEL 8.2557706611 9.3734394283 10.1184636800 2414 O CORE 8.9620386100 10.7913973403 7.9256119944 2415 O SHEL 8.9459262230 10.8030839527 7.9309087421 2416 O CORE 8.2343115502 11.8967294541 10.1846970529 2417 O SHEL 8.2168035600 11.9101741199 10.1586356312 2418 O CORE 10.5283854256 10.5594723487 10.1084296010 2419 O SHEL 10.5233816764 10.5482234243 10.0961310896 2420 P CORE 19.1667267907 -1.0456428329 -0.1072385137 2421 O CORE 18.3635460218 0.1858468843 0.5553552675 2422 O SHEL 18.3460380316 0.1992915501 0.5292938458 2423 O CORE 18.3918813908 -2.3283331904 0.5022089991 2424 O SHEL 18.3850051327 -2.3374431415 0.4891218946 2425 O CORE 19.0912730816 -0.9194852295 -1.7037297910 2426 O SHEL 19.0751606946 -0.9077986171 -1.6984330433 2427 O CORE 20.6576198972 -1.1514102211 0.4790878156 2428 O SHEL 20.6526161480 -1.1626591455 0.4667893042 2429 P CORE 0.8275498507 1.8837306405 18.3423843008 2430 O CORE 1.5228128239 0.6282476103 17.5527829218 2431 O SHEL 1.5261446820 0.6465211982 17.5511728099 2432 O CORE 1.6925352095 3.0373958438 17.5860512516 2433 O SHEL 1.7167778758 3.0038773421 17.5781932511 2434 O CORE -0.7369481271 1.8584373297 18.0622394506 2435 O SHEL -0.7689012313 1.8505784785 18.1015878826 2436 O CORE 1.2161730600 1.9107317475 19.8831568159 2437 O SHEL 1.2673426237 1.9109612111 19.8924652256 2438 P CORE -1.0917421525 -1.0456428347 19.1514450549 2439 O CORE -1.1671958616 -0.9194852313 17.5549537776 2440 O SHEL -1.1833082486 -0.9077986189 17.5602505253 2441 O CORE 0.3991509540 -1.1514102229 19.7377713842 2442 O SHEL 0.3941472048 -1.1626591473 19.7254728728 2443 O CORE -1.8949229214 0.1858468825 19.8140388361 2444 O SHEL -1.9124309116 0.1992915483 19.7879774144 2445 O CORE -1.8665875524 -2.3283331922 19.7608925677 2446 O SHEL -1.8734638105 -2.3374431433 19.7478054632 2447 MN CORE 2.6836087186 13.6933286969 6.5985871585 2448 MN CORE -12.5102428713 7.8378874117 4.4729749355 2449 MN CORE -12.5102428030 7.8378874126 -5.1563669206 2450 LI CORE 0.0000000000 17.5663238560 -2.7999999984 2451 LI CORE 0.0000000000 -17.5663238561 -2.8000000017 2452 P CORE 0.8275499873 19.4500544983 -0.9162994098 2453 O CORE 1.5228129605 18.1945714682 -1.7059007887 2454 O SHEL 1.5261448186 18.2128450560 -1.7075109006 2455 O CORE 1.2161731966 19.4770556053 0.6244731054 2456 O SHEL 1.2673427603 19.4772850689 0.6337815150 2457 O CORE -0.7369479905 19.4247611875 -1.1964442600 2458 O SHEL -0.7689010947 19.4169023364 -1.1570958280 2459 O CORE 1.6925353461 20.6037197016 -1.6726324589 2460 O SHEL 1.7167780124 20.5702011999 -1.6804904594 2461 P CORE 0.8275500556 -9.8271519275 -10.5456412686 2462 O CORE 1.2161732649 -9.8001508205 -9.0048687535 2463 O SHEL 1.2673428286 -9.7999213569 -8.9955603438 2464 O CORE 1.6925354144 -8.6734867242 -11.3019743178 2465 O SHEL 1.7167780807 -8.7070052259 -11.3098323183 2466 O CORE -0.7369479222 -9.8524452383 -10.8257861188 2467 O SHEL -0.7689010264 -9.8603040895 -10.7864376868 2468 O CORE 1.5228130288 -11.0826349577 -11.3352426476 2469 O SHEL 1.5261448869 -11.0643613698 -11.3368527595 2470 P CORE -9.3016843477 -9.8271519275 -10.5456413404 2471 O CORE -8.9130611384 -9.8001508205 -9.0048688253 2472 O SHEL -8.8618915747 -9.7999213569 -8.9955604156 2473 O CORE -8.4366989889 -8.6734867242 -11.3019743896 2474 O SHEL -8.4124563226 -8.7070052259 -11.3098323901 2475 O CORE -8.6064213745 -11.0826349577 -11.3352427194 2476 O SHEL -8.6030895164 -11.0643613698 -11.3368528313 2477 O CORE -10.8661823255 -9.8524452383 -10.8257861906 2478 O SHEL -10.8981354297 -9.8603040895 -10.7864377586 2479 FE CORE -2.9260395366 -12.7678385405 -7.6256310809 2480 FE CORE 7.2031948667 -12.7678385405 -7.6256310091 2481 P CORE -1.0917419476 10.6652397387 -9.7365805123 2482 O CORE -1.8665873475 9.3825493812 -9.1271329995 2483 O SHEL -1.8734636056 9.3734394301 -9.1402201040 2484 O CORE 0.3991511589 10.5594723505 -9.1502541830 2485 O SHEL 0.3941474097 10.5482234261 -9.1625526944 2486 O CORE -1.8949227165 11.8967294559 -9.0739867311 2487 O SHEL -1.9124307067 11.9101741217 -9.1000481528 2488 O CORE -1.1671956567 10.7913973421 -11.3330717896 2489 O SHEL -1.1833080437 10.8030839545 -11.3277750419 2490 P CORE 9.0374924557 10.6652397387 -9.7365804405 2491 O CORE 8.2626470558 9.3825493812 -9.1271329277 2492 O SHEL 8.2557707977 9.3734394301 -9.1402200322 2493 O CORE 8.2343116868 11.8967294559 -9.0739866593 2494 O SHEL 8.2168036966 11.9101741217 -9.1000480810 2495 O CORE 10.5283855622 10.5594723505 -9.1502541112 2496 O SHEL 10.5233818130 10.5482234261 -9.1625526226 2497 O CORE 8.9620387466 10.7913973421 -11.3330717178 2498 O SHEL 8.9459263596 10.8030839545 -11.3277749701 2499 P CORE -1.0917418793 -1.0456428311 -19.3659223695 2500 O CORE -1.8949226482 0.1858468861 -18.7033285883 2501 O SHEL -1.9124306384 0.1992915519 -18.7293900100 2502 O CORE 0.3991512272 -1.1514102193 -18.7795960402 2503 O SHEL 0.3941474780 -1.1626591437 -18.7918945516 2504 O CORE -1.8665872792 -2.3283331886 -18.7564748567 2505 O SHEL -1.8734635373 -2.3374431397 -18.7695619612 2506 O CORE -1.1671955884 -0.9194852277 -20.9624136468 2507 O SHEL -1.1833079754 -0.9077986153 -20.9571168991 2508 P CORE 14.1021095432 -1.0209432076 6.3641299829 2509 O CORE 13.3272641520 0.2617471499 5.7546824591 2510 O SHEL 13.3203878936 0.2708571010 5.7677695635 2511 O CORE 13.2989287837 -2.2524329248 5.7015361904 2512 O SHEL 13.2814207931 -2.2658775906 5.7275976119 2513 O CORE 14.0266558114 -1.1471008110 7.9606212592 2514 O SHEL 14.0105434245 -1.1587874234 7.9553245113 2515 O CORE 15.5930026580 -0.9151758194 5.7778036748 2516 O SHEL 15.5879989086 -0.9039268950 5.7901021862 2517 P CORE 14.1021095432 4.8344980778 6.3641299835 2518 O CORE 13.2989287837 3.6030083605 5.7015361909 2519 O SHEL 13.2814207931 3.5895636947 5.7275976124 2520 O CORE 13.3272641520 6.1171884353 5.7546824597 2521 O SHEL 13.3203878936 6.1262983863 5.7677695641 2522 O CORE 14.0266558114 4.7083404744 7.9606212597 2523 O SHEL 14.0105434245 4.6966538620 7.9553245118 2524 O CORE 15.5930026580 4.9402654659 5.7778036753 2525 O SHEL 15.5879989086 4.9515143903 5.7901021867 2526 MN CORE 12.8128431561 7.6618504039 1.7839163017 2527 P CORE 3.9728751740 16.5206810230 1.5494589847 2528 O CORE 3.1980297828 15.2379906656 0.9400114607 2529 O SHEL 3.1911535245 15.2288807146 0.9530985651 2530 O CORE 3.8974214423 16.6468386261 3.1459502610 2531 O SHEL 3.8813090553 16.6585252385 3.1406535131 2532 O CORE 5.4637682889 16.4149136349 0.9631326766 2533 O SHEL 5.4587645395 16.4036647105 0.9754311880 2534 O CORE 3.1696944145 17.7521707404 0.8868651924 2535 O SHEL 3.1521864240 17.7656154062 0.9129266139 2536 MN CORE 2.6836088552 7.8378874133 -12.6600965542 2537 MN CORE -7.4456255481 7.8378874133 -12.6600966260 2538 P CORE 3.9728752082 16.5453806494 -3.2652119433 2539 O CORE 3.1696944487 15.3138909321 -3.9278057359 2540 O SHEL 3.1521864581 15.3004462663 -3.9017443144 2541 O CORE 3.8974214764 16.4192230460 -1.6687206671 2542 O SHEL 3.8813090895 16.4075364336 -1.6740174150 2543 O CORE 5.4637683230 16.6511480375 -3.8515382515 2544 O SHEL 5.4587645736 16.6623969619 -3.8392397401 2545 O CORE 3.1980298170 17.8280710069 -3.8746594671 2546 O SHEL 3.1911535586 17.8371809579 -3.8615723627 2547 LI CORE 5.0646171858 15.4997378165 -0.5724505851 2548 LI CORE -5.0646172175 15.4997378165 -0.5724506569 2549 LI CORE 15.1938516233 0.0000000002 -5.3871214428 2550 LI CORE -15.1938515866 0.0000000002 -5.3871216582 2551 MN CORE -17.5748600197 1.9824461271 -3.0307548423 2552 MN CORE 12.8128431219 7.8378874115 6.5985872298 2553 MN CORE 12.8128431902 7.8378874124 -3.0307546263 2554 MN CORE 12.8128432244 1.8064091194 -7.8454255549 2555 MN CORE 12.8128432244 -4.0490321659 -7.8454255555 2556 MN CORE 12.8128432244 7.6618504048 -7.8454255544 2557 FE CORE -13.0552739399 -1.0569559698 -7.6256311516 2558 FE CORE -13.0552739399 4.7984853156 -7.6256311510 2559 FE CORE -13.0552739399 -6.9123972551 -7.6256311521 2560 FE CORE -7.9906568225 -12.7205126405 4.2531803786 2561 FE CORE -7.9906567542 -12.7205126396 -5.3761614775 2562 MN CORE -2.3810083997 -15.5838777288 -5.1563668510 2563 P CORE -11.2209764875 -1.0456428338 9.5221031270 2564 O CORE -9.7300833810 -1.1514102220 10.1084294563 2565 O SHEL -9.7350871302 -1.1626591464 10.0961309449 2566 O CORE -11.2964301966 -0.9194852304 7.9256118497 2567 O SHEL -11.3125425836 -0.9077986180 7.9309085974 2568 O CORE -12.0241572564 0.1858468834 10.1846969082 2569 O SHEL -12.0416652466 0.1992915492 10.1586354865 2570 O CORE -11.9958218874 -2.3283331913 10.1315506398 2571 O SHEL -12.0026981455 -2.3374431424 10.1184635353 2572 P CORE -11.2209764875 4.8097984515 9.5221031276 2573 O CORE -9.7300833810 4.7040310634 10.1084294569 2574 O SHEL -9.7350871302 4.6927821390 10.0961309454 2575 O CORE -11.2964301966 4.9359560550 7.9256118503 2576 O SHEL -11.3125425836 4.9476426673 7.9309085980 2577 O CORE -11.9958218874 3.5271080941 10.1315506404 2578 O SHEL -12.0026981455 3.5179981430 10.1184635359 2579 O CORE -12.0241572564 6.0412881688 10.1846969087 2580 O SHEL -12.0416652466 6.0547328346 10.1586354870 2581 P CORE -11.2209764875 -6.9010841192 9.5221031265 2582 O CORE -9.7300833810 -7.0068515073 10.1084294558 2583 O SHEL -9.7350871302 -7.0181004317 10.0961309443 2584 O CORE -11.2964301966 -6.7749265157 7.9256118492 2585 O SHEL -11.3125425836 -6.7632399034 7.9309085969 2586 O CORE -12.0241572564 -5.6695944019 10.1846969076 2587 O SHEL -12.0416652466 -5.6561497361 10.1586354859 2588 O CORE -11.9958218874 -8.1837744766 10.1315506393 2589 O SHEL -12.0026981455 -8.1928844277 10.1184635348 2590 FE CORE 2.1385775125 -6.8650713560 13.8825223071 2591 FE CORE -7.9906567884 -12.7678385412 -0.5614905494 2592 FE CORE 2.1385776149 -18.6232798265 -0.5614904782 2593 P CORE 10.9567843564 -9.8057579678 3.8983715873 2594 O CORE 9.3922863786 -9.7804646569 3.6182267371 2595 O SHEL 9.3603332745 -9.7726058058 3.6575751691 2596 O CORE 11.6520473297 -8.5502749375 3.1087702086 2597 O SHEL 11.6553791877 -8.5685485253 3.1071600967 2598 O CORE 11.3454075657 -9.8327590751 5.4391441025 2599 O SHEL 11.3965771295 -9.8329885387 5.4484525121 2600 O CORE 11.8217697153 -10.9594231709 3.1420385380 2601 O SHEL 11.8460123816 -10.9259046693 3.1341805375 2602 P CORE 10.9567844247 -9.8057579669 -5.7309702688 2603 O CORE 9.3922864469 -9.7804646560 -6.0111151190 2604 O SHEL 9.3603333428 -9.7726058049 -5.9717666870 2605 O CORE 11.3454076340 -9.8327590742 -4.1901977536 2606 O SHEL 11.3965771978 -9.8329885378 -4.1808893440 2607 O CORE 11.6520473980 -8.5502749366 -6.5205716475 2608 O SHEL 11.6553792560 -8.5685485244 -6.5221817594 2609 O CORE 11.8217697836 -10.9594231700 -6.4873033181 2610 O SHEL 11.8460124499 -10.9259046684 -6.4951613186 2611 P CORE 10.9567843906 -9.8271519284 -0.9162993407 2612 O CORE 9.3922864128 -9.8524452392 -1.1964441909 2613 O SHEL 9.3603333086 -9.8603040904 -1.1570957589 2614 O CORE 11.3454075999 -9.8001508214 0.6244731744 2615 O SHEL 11.3965771636 -9.7999213578 0.6337815841 2616 O CORE 11.8217697494 -8.6734867251 -1.6726323899 2617 O SHEL 11.8460124157 -8.7070052268 -1.6804903904 2618 O CORE 11.6520473638 -11.0826349586 -1.7059007197 2619 O SHEL 11.6553792219 -11.0643613707 -1.7075108316 2620 P CORE 10.9567843223 -9.8271519293 8.7130425154 2621 O CORE 9.3922863445 -9.8524452401 8.4328976652 2622 O SHEL 9.3603332403 -9.8603040913 8.4722460972 2623 O CORE 11.8217696811 -8.6734867260 7.9567094662 2624 O SHEL 11.8460123474 -8.7070052277 7.9488514657 2625 O CORE 11.3454075316 -9.8001508223 10.2538150305 2626 O SHEL 11.3965770953 -9.7999213587 10.2631234402 2627 O CORE 11.6520472955 -11.0826349595 7.9234411364 2628 O SHEL 11.6553791536 -11.0643613716 7.9218310245 2629 P CORE -4.2370672718 13.6160071733 7.1731906223 2630 O CORE -3.3720819237 12.4623419700 7.9295236837 2631 O SHEL -3.3478392575 12.4958604717 7.9373816846 2632 O CORE -3.8484440406 13.5890060663 5.6324181127 2633 O SHEL -3.7972744767 13.5887766027 5.6231097037 2634 O CORE -5.8015652535 13.6413004841 7.4533354503 2635 O SHEL -5.8335183571 13.6491593353 7.4139870179 2636 O CORE -3.5418043097 14.8714902034 7.9627920111 2637 O SHEL -3.5384724517 14.8532166156 7.9644021231 2638 P CORE 5.8921671315 13.6160071733 7.1731906941 2639 O CORE 4.3276691498 13.6413004841 7.4533355221 2640 O SHEL 4.2957160462 13.6491593353 7.4139870897 2641 O CORE 6.7571524796 12.4623419700 7.9295237555 2642 O SHEL 6.7813951458 12.4958604717 7.9373817564 2643 O CORE 6.2807903627 13.5890060663 5.6324181845 2644 O SHEL 6.3319599266 13.5887766027 5.6231097755 2645 O CORE 6.5874300936 14.8714902034 7.9627920829 2646 O SHEL 6.5907619516 14.8532166156 7.9644021949 2647 FE CORE 2.1385775808 16.5566937863 4.2531804532 2648 P CORE 3.9728750716 4.8344980769 15.9934717678 2649 O CORE 3.1696943121 3.6030083596 15.3308779752 2650 O SHEL 3.1521863215 3.5895636938 15.3569393967 2651 O CORE 3.1980296804 6.1171884344 15.3840242440 2652 O SHEL 3.1911534220 6.1262983854 15.3971113484 2653 O CORE 5.4637681864 4.9402654650 15.4071454596 2654 O SHEL 5.4587644370 4.9515143894 15.4194439710 2655 O CORE 3.8974213398 4.7083404735 17.5899630440 2656 O SHEL 3.8813089529 4.6966538611 17.5846662961 2657 FE CORE 2.1385774783 -1.0569559723 18.6971932357 2658 P CORE 3.9728752423 -12.7565254029 -8.0798828741 2659 O CORE 3.8974215106 -12.6303677998 -6.4833915979 2660 O SHEL 3.8813091236 -12.6186811874 -6.4886883458 2661 O CORE 3.1696944828 -11.5250356855 -8.7424766664 2662 O SHEL 3.1521864923 -11.5115910197 -8.7164152450 2663 O CORE 5.4637683572 -12.8622927909 -8.6662091823 2664 O SHEL 5.4587646078 -12.8735417153 -8.6539106709 2665 O CORE 3.1980298511 -14.0392157602 -8.6893303982 2666 O SHEL 3.1911535928 -14.0483257113 -8.6762432938 2667 P CORE -6.1563591610 -12.7565254029 -8.0798829459 2668 O CORE -6.2318128927 -12.6303677998 -6.4833916697 2669 O SHEL -6.2479252797 -12.6186811874 -6.4886884176 2670 O CORE -6.9595399205 -11.5250356855 -8.7424767382 2671 O SHEL -6.9770479110 -11.5115910197 -8.7164153168 2672 O CORE -4.6654660461 -12.8622927909 -8.6662092541 2673 O SHEL -4.6704697955 -12.8735417153 -8.6539107427 2674 O CORE -6.9312045522 -14.0392157602 -8.6893304700 2675 O SHEL -6.9380808105 -14.0483257113 -8.6762433656 2676 FE CORE 2.1385776832 10.6539266011 -10.1908323315 2677 FE CORE -7.9906567201 10.6539266011 -10.1908324033 2678 P CORE -4.2370671693 13.5946132136 -7.2708221618 2679 O CORE -3.5418042073 12.3391301833 -6.4812207732 2680 O SHEL -3.5384723492 12.3574037711 -6.4796106613 2681 O CORE -5.8015651511 13.5693199027 -6.9906773338 2682 O SHEL -5.8335182547 13.5614610516 -7.0300257663 2683 O CORE -3.3720818212 14.7482784167 -6.5144891002 2684 O SHEL -3.3478391550 14.7147599151 -6.5066310993 2685 O CORE -3.8484439382 13.6216143209 -8.8115946715 2686 O SHEL -3.7972743743 13.6218437845 -8.8209030804 2687 P CORE 5.8921672340 13.5946132136 -7.2708220900 2688 O CORE 6.5874301960 12.3391301833 -6.4812207014 2689 O SHEL 6.5907620541 12.3574037711 -6.4796105895 2690 O CORE 4.3276692522 13.5693199027 -6.9906772620 2691 O SHEL 4.2957161486 13.5614610516 -7.0300256945 2692 O CORE 6.7571525821 14.7482784167 -6.5144890284 2693 O SHEL 6.7813952483 14.7147599151 -6.5066310275 2694 O CORE 6.2807904651 13.6216143209 -8.8115945997 2695 O SHEL 6.3319600290 13.6218437845 -8.8209030086 2696 LI CORE 5.0646172883 5.8554412865 -15.0164633702 2697 LI CORE 5.0646172883 -5.8554412842 -15.0164633713 2698 LI CORE -5.0646171150 5.8554412865 -15.0164634420 2699 LI CORE -5.0646171150 -5.8554412842 -15.0164634431 2700 P CORE -11.2209763509 -1.0456428320 -9.7365805852 2701 O CORE -9.7300832444 -1.1514102202 -9.1502542559 2702 O SHEL -9.7350869936 -1.1626591446 -9.1625527673 2703 O CORE -12.0241571198 0.1858468852 -9.0739868040 2704 O SHEL -12.0416651100 0.1992915510 -9.1000482257 2705 O CORE -11.9958217508 -2.3283331895 -9.1271330724 2706 O SHEL -12.0026980089 -2.3374431406 -9.1402201769 2707 O CORE -11.2964300600 -0.9194852286 -11.3330718625 2708 O SHEL -11.3125424470 -0.9077986162 -11.3277751148 2709 P CORE -11.2209763509 4.8097984533 -9.7365805846 2710 O CORE -9.7300832444 4.7040310652 -9.1502542553 2711 O SHEL -9.7350869936 4.6927821408 -9.1625527668 2712 O CORE -11.9958217508 3.5271080959 -9.1271330718 2713 O SHEL -12.0026980089 3.5179981448 -9.1402201763 2714 O CORE -12.0241571198 6.0412881706 -9.0739868035 2715 O SHEL -12.0416651100 6.0547328364 -9.1000482252 2716 O CORE -11.2964300600 4.9359560568 -11.3330718619 2717 O SHEL -11.3125424470 4.9476426691 -11.3277751142 2718 P CORE -11.2209763509 -6.9010841174 -9.7365805857 2719 O CORE -9.7300832444 -7.0068515055 -9.1502542564 2720 O SHEL -9.7350869936 -7.0181004299 -9.1625527679 2721 O CORE -12.0241571198 -5.6695944001 -9.0739868046 2722 O SHEL -12.0416651100 -5.6561497343 -9.1000482263 2723 O CORE -11.9958217508 -8.1837744748 -9.1271330729 2724 O SHEL -12.0026980089 -8.1928844259 -9.1402201774 2725 O CORE -11.2964300600 -6.7749265139 -11.3330718630 2726 O SHEL -11.3125424470 -6.7632399016 -11.3277751153 2727 MN CORE -7.4456256505 13.5172916892 1.7839161587 2728 P CORE 14.1021095432 -6.8763844929 6.3641299824 2729 O CORE 13.3272641520 -5.5936941354 5.7546824586 2730 O SHEL 13.3203878936 -5.5845841844 5.7677695630 2731 O CORE 13.2989287837 -8.1078742102 5.7015361898 2732 O SHEL 13.2814207931 -8.1213188760 5.7275976113 2733 O CORE 14.0266558114 -7.0025420963 7.9606212586 2734 O SHEL 14.0105434245 -7.0142287087 7.9553245107 2735 O CORE 15.5930026580 -6.7706171048 5.7778036742 2736 O SHEL 15.5879989086 -6.7593681804 5.7901021856 2737 P CORE 14.1021096115 -6.8763844920 -3.2652118737 2738 O CORE 13.3272642203 -5.5936941345 -3.8746593975 2739 O SHEL 13.3203879619 -5.5845841835 -3.8615722931 2740 O CORE 14.0266558797 -7.0025420954 -1.6687205975 2741 O SHEL 14.0105434928 -7.0142287078 -1.6740173454 2742 O CORE 13.2989288520 -8.1078742093 -3.9278056663 2743 O SHEL 13.2814208614 -8.1213188751 -3.9017442448 2744 O CORE 15.5930027263 -6.7706171039 -3.8515381819 2745 O SHEL 15.5879989769 -6.7593681795 -3.8392396705 2746 P CORE 14.1021095773 -6.9010841184 1.5494590543 2747 O CORE 13.2989288178 -5.6695944010 0.8868652620 2748 O SHEL 13.2814208273 -5.6561497352 0.9129266835 2749 O CORE 14.0266558456 -6.7749265153 3.1459503306 2750 O SHEL 14.0105434586 -6.7632399029 3.1406535827 2751 O CORE 13.3272641861 -8.1837744758 0.9400115303 2752 O SHEL 13.3203879278 -8.1928844268 0.9530986347 2753 O CORE 15.5930026922 -7.0068515065 0.9631327462 2754 O SHEL 15.5879989428 -7.0181004309 0.9754312576 2755 LI CORE 0.0000001025 3.7888552474 -17.2440127838 2756 P CORE -4.2370673401 1.9051246017 16.8025324773 2757 O CORE -3.8484441089 1.8781234947 15.2617599677 2758 O SHEL -3.7972745450 1.8778940311 15.2524515587 2759 O CORE -3.3720819920 0.7514593984 17.5588655387 2760 O SHEL -3.3478393258 0.7849779001 17.5667235396 2761 O CORE -3.5418043780 3.1606076318 17.5921338661 2762 O SHEL -3.5384725200 3.1423340440 17.5937439781 2763 O CORE -5.8015653218 1.9304179125 17.0826773053 2764 O SHEL -5.8335184254 1.9382767637 17.0433288729 2765 P CORE -4.2370673401 -3.9503166836 16.8025324768 2766 O CORE -3.8484441089 -3.9773177907 15.2617599671 2767 O SHEL -3.7972745450 -3.9775472543 15.2524515582 2768 O CORE -3.5418043780 -2.6948336535 17.5921338656 2769 O SHEL -3.5384725200 -2.7131072413 17.5937439775 2770 O CORE -5.8015653218 -3.9250233728 17.0826773048 2771 O SHEL -5.8335184254 -3.9171645217 17.0433288723 2772 O CORE -3.3720819920 -5.1039818870 17.5588655382 2773 O SHEL -3.3478393258 -5.0704633853 17.5667235391 2774 LI CORE 15.1938515550 5.8554412847 4.2422204138 2775 LI CORE 15.1938515550 -5.8554412860 4.2422204127 2776 LI CORE -15.1938516549 5.8554412847 4.2422201984 2777 LI CORE -15.1938516549 -5.8554412860 4.2422201973 2778 LI CORE 15.1938516233 5.8554412856 -5.3871214423 2779 LI CORE 15.1938516233 -5.8554412851 -5.3871214434 2780 LI CORE -15.1938515866 5.8554412856 -5.3871216577 2781 LI CORE -15.1938515866 -5.8554412851 -5.3871216588 2782 P CORE -16.2855936326 4.8097984523 1.5494588400 2783 O CORE -14.7947005177 4.7040310642 0.9631325319 2784 O SHEL -14.7997042671 4.6927821398 0.9754310433 2785 O CORE -16.3610473643 4.9359560554 3.1459501163 2786 O SHEL -16.3771597513 4.9476426678 3.1406533684 2787 O CORE -17.0604390238 3.5271080949 0.9400113160 2788 O SHEL -17.0673152821 3.5179981439 0.9530984204 2789 O CORE -17.0887743921 6.0412881697 0.8868650477 2790 O SHEL -17.1062823826 6.0547328355 0.9129264692 2791 P CORE -16.2855935984 4.8344980787 -3.2652120880 2792 O CORE -14.7947004836 4.9402654668 -3.8515383962 2793 O SHEL -14.7997042330 4.9515143912 -3.8392398848 2794 O CORE -16.3610473302 4.7083404753 -1.6687208118 2795 O SHEL -16.3771597171 4.6966538629 -1.6740175597 2796 O CORE -17.0887743579 3.6030083614 -3.9278058806 2797 O SHEL -17.1062823485 3.5895636956 -3.9017444591 2798 O CORE -17.0604389896 6.1171884362 -3.8746596118 2799 O SHEL -17.0673152480 6.1262983872 -3.8615725074 2800 P CORE -4.2370671010 1.8837306438 -16.9001640190 2801 O CORE -3.5418041390 0.6282476135 -16.1105626304 2802 O SHEL -3.5384722809 0.6465212013 -16.1089525185 2803 O CORE -3.3720817529 3.0373958469 -16.1438309574 2804 O SHEL -3.3478390867 3.0038773453 -16.1359729565 2805 O CORE -5.8015650828 1.8584373329 -16.6200191910 2806 O SHEL -5.8335181864 1.8505784818 -16.6593676235 2807 O CORE -3.8484438699 1.9107317511 -18.4409365287 2808 O SHEL -3.7972743060 1.9109612147 -18.4502449376 2809 P CORE -4.2370671010 -3.9717106416 -16.9001640196 2810 O CORE -3.3720817529 -2.8180454384 -16.1438309579 2811 O SHEL -3.3478390867 -2.8515639401 -16.1359729571 2812 O CORE -3.5418041390 -5.2271936719 -16.1105626310 2813 O SHEL -3.5384722809 -5.2089200841 -16.1089525191 2814 O CORE -5.8015650828 -3.9970039525 -16.6200191916 2815 O SHEL -5.8335181864 -4.0048628036 -16.6593676240 2816 O CORE -3.8484438699 -3.9447095343 -18.4409365292 2817 O SHEL -3.7972743060 -3.9444800707 -18.4502449382 2818 MN CORE -7.4456256847 13.6933286969 6.5985870867 2819 MN CORE -7.4456256164 13.6933286978 -3.0307547694 2820 P CORE -1.0917421183 -6.8763844936 14.3367741264 2821 O CORE -1.1671958275 -7.0025420968 12.7402828490 2822 O SHEL -1.1833082144 -7.0142287091 12.7455795967 2823 O CORE -1.8665875182 -5.5936941363 14.9462216394 2824 O SHEL -1.8734637763 -5.5845841852 14.9331345349 2825 O CORE 0.3991509882 -6.7706171056 14.9231004556 2826 O SHEL 0.3941472390 -6.7593681812 14.9108019442 2827 O CORE -1.8949228873 -8.1078742110 14.9993679073 2828 O SHEL -1.9124308774 -8.1213188768 14.9733064855 2829 P CORE -1.0917420500 16.5453806487 4.7074322725 2830 O CORE -1.8949228190 15.3138909313 5.3700260534 2831 O SHEL -1.9124308091 15.3004462655 5.3439646316 2832 O CORE -1.1671957592 16.4192230455 3.1109409951 2833 O SHEL -1.1833081461 16.4075364332 3.1162377428 2834 O CORE 0.3991510565 16.6511480367 5.2937586017 2835 O SHEL 0.3941473073 16.6623969611 5.2814600903 2836 O CORE -1.8665874499 17.8280710060 5.3168797855 2837 O SHEL -1.8734637080 17.8371809571 5.3037926810 2838 MN CORE 7.7482259695 13.5172916894 -0.3416958484 2839 P CORE 0.8275498848 7.7605658874 13.5277133733 2840 O CORE 1.6925352437 6.6069006842 12.7713803239 2841 O SHEL 1.7167779100 6.6404191859 12.7635223234 2842 O CORE -0.7369480930 7.7858591982 13.2475685231 2843 O SHEL -0.7689011971 7.7937180493 13.2869169551 2844 O CORE 1.5228128581 9.0160489176 12.7381119946 2845 O SHEL 1.5261447161 8.9977753298 12.7365018827 2846 O CORE 1.2161730941 7.7335647801 15.0684858884 2847 O SHEL 1.2673426579 7.7333353164 15.0777942981 2848 LI CORE -0.0000001024 9.6442965300 11.6440127851 2849 FE CORE -2.9260397074 4.8458112144 16.4477235610 2850 MN CORE -2.3810085704 1.8064091169 18.9169877909 2851 P CORE -19.4309188193 1.8837306423 -0.9162995550 2852 O CORE -19.0422956100 1.9107317493 0.6244729601 2853 O SHEL -18.9911260463 1.9109612129 0.6337813698 2854 O CORE -18.7356558461 0.6282476121 -1.7059009340 2855 O SHEL -18.7323239880 0.6465212000 -1.7075110459 2856 O CORE -18.5659334605 3.0373958456 -1.6726326042 2857 O SHEL -18.5416907942 3.0038773439 -1.6804906047 2858 O CORE -20.9954167971 1.8584373315 -1.1964444052 2859 O SHEL -21.0273699013 1.8505784803 -1.1570959732 2860 MN CORE 2.6836086845 -9.9044734531 11.4132580844 2861 MN CORE -7.4456257188 -9.9044734531 11.4132580126 2862 FE CORE 12.2678119499 -1.0569559714 9.0678514514 2863 FE CORE 12.2678119499 4.7984853140 9.0678514519 2864 FE CORE 12.2678119499 -6.9123972567 9.0678514508 2865 MN CORE 2.6836088211 13.5172916901 -7.8454256256 2866 MN CORE -7.4456255822 13.5172916901 -7.8454256974 2867 LI CORE 0.0000000342 -13.7774686096 -7.6146709293 2868 P CORE 0.8275500214 -15.6611992522 -5.7309703411 2869 O CORE 1.2161732307 -15.6882003595 -4.1901978260 2870 O SHEL 1.2673427945 -15.6884298232 -4.1808894163 2871 O CORE 1.5228129947 -14.4057162220 -6.5205717198 2872 O SHEL 1.5261448527 -14.4239898098 -6.5221818317 2873 O CORE -0.7369479564 -15.6359059414 -6.0111151913 2874 O SHEL -0.7689010605 -15.6280470903 -5.9717667593 2875 O CORE 1.6925353803 -16.8148644554 -6.4873033905 2876 O SHEL 1.7167780466 -16.7813459537 -6.4951613910 2877 P CORE -1.0917419134 -6.8763844909 -14.5512514419 2878 O CORE -1.8665873133 -5.5936941336 -13.9418039289 2879 O SHEL -1.8734635714 -5.5845841825 -13.9548910334 2880 O CORE 0.3991511931 -6.7706171029 -13.9649251127 2881 O SHEL 0.3941474439 -6.7593681785 -13.9772236241 2882 O CORE -1.8949226824 -8.1078742083 -13.8886576610 2883 O SHEL -1.9124306725 -8.1213188741 -13.9147190828 2884 O CORE -1.1671956226 -7.0025420941 -16.1477427193 2885 O SHEL -1.1833080095 -7.0142287064 -16.1424459716 2886 MN CORE 7.7482259353 13.6933286971 4.4729750797 2887 MN CORE 7.7482260036 13.6933286980 -5.1563667764 2888 MN CORE -17.5748600197 -3.8729951583 -3.0307548428 2889 P CORE -1.0917419817 16.5453806496 -4.9219095836 2890 O CORE -1.8949227507 15.3138909322 -4.2593158027 2891 O SHEL -1.9124307408 15.3004462664 -4.2853772245 2892 O CORE 0.3991511248 16.6511480376 -4.3355832544 2893 O SHEL 0.3941473756 16.6623969620 -4.3478817658 2894 O CORE -1.1671956909 16.4192230464 -6.5184008610 2895 O SHEL -1.1833080778 16.4075364341 -6.5131041133 2896 O CORE -1.8665873816 17.8280710069 -4.3124620706 2897 O SHEL -1.8734636397 17.8371809580 -4.3255491751 2898 FE CORE -2.9260395708 -18.5759539252 -2.8109601534 2899 P CORE 10.9567844589 1.8837306432 -10.5456411957 2900 O CORE 11.3454076682 1.9107317502 -9.0048686806 2901 O SHEL 11.3965772319 1.9109612138 -8.9955602709 2902 O CORE 9.3922864811 1.8584373324 -10.8257860459 2903 O SHEL 9.3603333769 1.8505784812 -10.7864376139 2904 O CORE 11.6520474321 0.6282476130 -11.3352425747 2905 O SHEL 11.6553792902 0.6465212009 -11.3368526866 2906 O CORE 11.8217698177 3.0373958465 -11.3019742449 2907 O SHEL 11.8460124840 3.0038773448 -11.3098322454 2908 P CORE 10.9567844589 -3.9717106422 -10.5456411963 2909 O CORE 11.3454076682 -3.9447095352 -9.0048686811 2910 O SHEL 11.3965772319 -3.9444800716 -8.9955602715 2911 O CORE 9.3922864811 -3.9970039530 -10.8257860465 2912 O SHEL 9.3603333769 -4.0048628041 -10.7864376145 2913 O CORE 11.8217698177 -2.8180454389 -11.3019742454 2914 O SHEL 11.8460124840 -2.8515639406 -11.3098322459 2915 O CORE 11.6520474321 -5.2271936723 -11.3352425752 2916 O SHEL 11.6553792902 -5.2089200845 -11.3368526871 2917 P CORE 10.9567844589 7.7391719285 -10.5456411952 2918 O CORE 11.3454076682 7.7661730355 -9.0048686800 2919 O SHEL 11.3965772319 7.7664024991 -8.9955602704 2920 O CORE 9.3922864811 7.7138786177 -10.8257860454 2921 O SHEL 9.3603333769 7.7060197666 -10.7864376134 2922 O CORE 11.6520474321 6.4836888984 -11.3352425741 2923 O SHEL 11.6553792902 6.5019624862 -11.3368526860 2924 O CORE 11.8217698177 8.8928371318 -11.3019742443 2925 O SHEL 11.8460124840 8.8593186301 -11.3098322448 2926 P CORE 10.9567844589 -9.8271519275 -10.5456411968 2927 O CORE 11.3454076682 -9.8001508205 -9.0048686817 2928 O SHEL 11.3965772319 -9.7999213569 -8.9955602720 2929 O CORE 9.3922864811 -9.8524452383 -10.8257860470 2930 O SHEL 9.3603333769 -9.8603040895 -10.7864376150 2931 O CORE 11.8217698177 -8.6734867242 -11.3019742460 2932 O SHEL 11.8460124840 -8.7070052259 -11.3098322465 2933 O CORE 11.6520474321 -11.0826349577 -11.3352425758 2934 O SHEL 11.6553792902 -11.0643613698 -11.3368526877 2935 MN CORE 2.6836088894 -4.0490321650 -17.4747674834 2936 P CORE -14.3663016751 1.9051246026 7.1731905494 2937 O CORE -13.9776784439 1.8781234956 5.6324180398 2938 O SHEL -13.9265088800 1.8778940320 5.6231096308 2939 O CORE -13.5013163270 0.7514593993 7.9295236108 2940 O SHEL -13.4770736608 0.7849779010 7.9373816117 2941 O CORE -13.6710387130 3.1606076327 7.9627919382 2942 O SHEL -13.6677068550 3.1423340449 7.9644020502 2943 O CORE -15.9307996568 1.9304179134 7.4533353774 2944 O SHEL -15.9627527604 1.9382767646 7.4139869450 2945 P CORE -14.3663016751 -3.9503166827 7.1731905489 2946 O CORE -13.9776784439 -3.9773177898 5.6324180392 2947 O SHEL -13.9265088800 -3.9775472534 5.6231096303 2948 O CORE -13.6710387130 -2.6948336526 7.9627919377 2949 O SHEL -13.6677068550 -2.7131072404 7.9644020496 2950 O CORE -13.5013163270 -5.1039818861 7.9295236103 2951 O SHEL -13.4770736608 -5.0704633844 7.9373816112 2952 O CORE -15.9307996568 -3.9250233719 7.4533353769 2953 O SHEL -15.9627527604 -3.9171645208 7.4139869444 2954 FE CORE -2.9260396049 -18.6232798267 2.0037107747 2955 P CORE 5.8921671998 -15.6611992525 -2.4561511647 2956 O CORE 6.5874301619 -14.4057162224 -1.6665497759 2957 O SHEL 6.5907620199 -14.4239898102 -1.6649396640 2958 O CORE 4.3276692181 -15.6359059417 -2.1760063367 2959 O SHEL 4.2957161145 -15.6280470906 -2.2153547692 2960 O CORE 6.2807904310 -15.6882003596 -3.9969236744 2961 O SHEL 6.3319599949 -15.6884298232 -4.0062320833 2962 O CORE 6.7571525479 -16.8148644559 -1.6998181033 2963 O SHEL 6.7813952141 -16.7813459542 -1.6919601024 2964 P CORE 5.8921671657 -15.6825932141 2.3585197633 2965 O CORE 6.7571525138 -14.5289280109 3.1148528250 2966 O SHEL 6.7813951800 -14.5624465126 3.1227108258 2967 O CORE 4.3276691839 -15.7078865250 2.6386645913 2968 O SHEL 4.2957160803 -15.7157453761 2.5993161589 2969 O CORE 6.2807903968 -15.6555921068 0.8177472537 2970 O SHEL 6.3319599607 -15.6553626432 0.8084388447 2971 O CORE 6.5874301277 -16.9380762444 3.1481211519 2972 O SHEL 6.5907619858 -16.9198026566 3.1497312638 2973 MN CORE -17.5748600538 -4.0490321668 1.7839160852 2974 P CORE -14.3663015726 1.8837306429 -7.2708222347 2975 O CORE -13.6710386106 0.6282476126 -6.4812208461 2976 O SHEL -13.6677067525 0.6465212004 -6.4796107342 2977 O CORE -13.5013162245 3.0373958460 -6.5144891731 2978 O SHEL -13.4770735583 3.0038773444 -6.5066311722 2979 O CORE -13.9776783415 1.9107317502 -8.8115947444 2980 O SHEL -13.9265087776 1.9109612138 -8.8209031533 2981 O CORE -15.9307995544 1.8584373320 -6.9906774067 2982 O SHEL -15.9627526580 1.8505784809 -7.0300258392 2983 P CORE -14.3663015726 -3.9717106425 -7.2708222353 2984 O CORE -13.5013162245 -2.8180454393 -6.5144891736 2985 O SHEL -13.4770735583 -2.8515639410 -6.5066311728 2986 O CORE -13.6710386106 -5.2271936728 -6.4812208467 2987 O SHEL -13.6677067525 -5.2089200850 -6.4796107348 2988 O CORE -13.9776783415 -3.9447095352 -8.8115947449 2989 O SHEL -13.9265087776 -3.9444800716 -8.8209031539 2990 O CORE -15.9307995544 -3.9970039534 -6.9906774073 2991 O SHEL -15.9627526580 -4.0048628045 -7.0300258397 2992 LI CORE -0.0000000341 -19.6329098958 2.0146709262 2993 P CORE 3.9728753106 -1.0456428313 -17.7092247291 2994 O CORE 3.8974215789 -0.9194852282 -16.1127334529 2995 O SHEL 3.8813091919 -0.9077986158 -16.1180302008 2996 O CORE 3.1696945511 0.1858468861 -18.3718185214 2997 O SHEL 3.1521865606 0.1992915519 -18.3457571000 2998 O CORE 3.1980299194 -2.3283331886 -18.3186722532 2999 O SHEL 3.1911536611 -2.3374431397 -18.3055851488 3000 O CORE 5.4637684255 -1.1514102193 -18.2955510373 3001 O SHEL 5.4587646761 -1.1626591437 -18.2832525259 3002 MN CORE -2.3810084338 19.3727329748 -0.3416959197 3003 P CORE 9.0374923533 -12.7318257781 4.7074323415 3004 O CORE 8.2626469534 -11.4491354208 5.3168798545 3005 O SHEL 8.2557706953 -11.4400254697 5.3037927500 3006 O CORE 8.9620386441 -12.8579833812 3.1109410642 3007 O SHEL 8.9459262572 -12.8696699936 3.1162378118 3008 O CORE 8.2343115843 -13.9633154955 5.3700261224 3009 O SHEL 8.2168035942 -13.9767601613 5.3439647007 3010 O CORE 10.5283854598 -12.6260583901 5.2937586708 3011 O SHEL 10.5233817106 -12.6148094657 5.2814601593 3012 P CORE 9.0374924216 -12.7318257772 -4.9219095146 3013 O CORE 8.2626470217 -11.4491354199 -4.3124620016 3014 O SHEL 8.2557707636 -11.4400254688 -4.3255491061 3015 O CORE 8.2343116526 -13.9633154946 -4.2593157337 3016 O SHEL 8.2168036625 -13.9767601604 -4.2853771554 3017 O CORE 10.5283855281 -12.6260583892 -4.3355831853 3018 O SHEL 10.5233817789 -12.6148094648 -4.3478816968 3019 O CORE 8.9620387124 -12.8579833803 -6.5184007919 3020 O SHEL 8.9459263255 -12.8696699927 -6.5131040443 3021 LI CORE 10.1292343009 -2.0665860407 11.6440128558 3022 LI CORE -10.1292345057 -2.0665860407 11.6440127122 3023 LI CORE 10.1292343009 3.7888552447 11.6440128563 3024 LI CORE -10.1292345057 3.7888552447 11.6440127127 3025 LI CORE 10.1292343009 -7.9220273260 11.6440128552 3026 LI CORE -10.1292345057 -7.9220273260 11.6440127116 3027 LI CORE 10.1292343009 9.6442965300 11.6440128569 3028 LI CORE -10.1292345057 9.6442965300 11.6440127133 3029 P CORE 9.0374923874 -12.7565254036 -0.1072385866 3030 O CORE 8.2343116185 -11.5250356864 0.5553551946 3031 O SHEL 8.2168036283 -11.5115910206 0.5292937729 3032 O CORE 8.9620386783 -12.6303678002 -1.7037298639 3033 O SHEL 8.9459262913 -12.6186811878 -1.6984331162 3034 O CORE 8.2626469875 -14.0392157611 0.5022089262 3035 O SHEL 8.2557707294 -14.0483257122 0.4891218217 3036 O CORE 10.5283854939 -12.8622927918 0.4790877427 3037 O SHEL 10.5233817447 -12.8735417162 0.4667892313 3038 MN CORE -12.5102429054 1.8064091178 9.2876458630 3039 MN CORE -12.5102429054 -4.0490321675 9.2876458624 3040 MN CORE -12.5102429054 7.6618504032 9.2876458635 3041 P CORE -4.2370673059 -9.8271519296 11.9878615482 3042 O CORE -3.8484440748 -9.8001508223 10.4470890385 3043 O SHEL -3.7972745109 -9.7999213587 10.4377806296 3044 O CORE -3.3720819578 -8.6734867265 12.7441946098 3045 O SHEL -3.3478392916 -8.7070052281 12.7520526107 3046 O CORE -5.8015652877 -9.8524452405 12.2680063762 3047 O SHEL -5.8335183913 -9.8603040916 12.2286579437 3048 O CORE -3.5418043439 -11.0826349599 12.7774629368 3049 O SHEL -3.5384724858 -11.0643613721 12.7790730487 3050 P CORE 5.8921670974 -9.8271519296 11.9878616200 3051 O CORE 6.2807903285 -9.8001508223 10.4470891103 3052 O SHEL 6.3319598924 -9.7999213587 10.4377807014 3053 O CORE 4.3276691156 -9.8524452405 12.2680064480 3054 O SHEL 4.2957160120 -9.8603040916 12.2286580155 3055 O CORE 6.7571524455 -8.6734867265 12.7441946816 3056 O SHEL 6.7813951117 -8.7070052281 12.7520526825 3057 O CORE 6.5874300594 -11.0826349599 12.7774630086 3058 O SHEL 6.5907619175 -11.0643613721 12.7790731205 3059 FE CORE 2.1385775466 -12.7678385421 9.0678513785 3060 FE CORE -7.9906568567 -12.7678385421 9.0678513067 3061 LI CORE 10.1292343350 11.7108825698 6.8293419290 3062 LI CORE 10.1292343350 -11.7108825716 6.8293419268 3063 LI CORE -10.1292344716 11.7108825698 6.8293417854 3064 LI CORE -10.1292344716 -11.7108825716 6.8293417832 3065 LI CORE 10.1292344033 11.7108825707 -2.7999999271 3066 LI CORE 10.1292344033 -11.7108825707 -2.7999999293 3067 LI CORE -10.1292344033 11.7108825707 -2.8000000707 3068 LI CORE -10.1292344033 -11.7108825707 -2.8000000729 3069 P CORE 3.9728751057 10.6652397367 11.1788008403 3070 O CORE 3.1980297145 9.3825493794 10.5693533162 3071 O SHEL 3.1911534562 9.3734394283 10.5824404206 3072 O CORE 5.4637682206 10.5594723487 10.5924745321 3073 O SHEL 5.4587644712 10.5482234243 10.6047730435 3074 O CORE 3.1696943462 11.8967294541 10.5162070480 3075 O SHEL 3.1521863557 11.9101741199 10.5422684694 3076 O CORE 3.8974213740 10.7913973398 12.7752921165 3077 O SHEL 3.8813089870 10.8030839522 12.7699953686 3078 P CORE -6.1563592976 10.6652397367 11.1788007685 3079 O CORE -4.6654661827 10.5594723487 10.5924744603 3080 O SHEL -4.6704699321 10.5482234243 10.6047729717 3081 O CORE -6.9312046888 9.3825493794 10.5693532444 3082 O SHEL -6.9380809471 9.3734394283 10.5824403488 3083 O CORE -6.9595400571 11.8967294541 10.5162069762 3084 O SHEL -6.9770480476 11.9101741199 10.5422683976 3085 O CORE -6.2318130293 10.7913973398 12.7752920447 3086 O SHEL -6.2479254163 10.8030839522 12.7699952968 3087 MN CORE 7.7482258670 1.9824461255 14.1023169347 3088 MN CORE 7.7482258670 -3.8729951599 14.1023169341 3089 FE CORE 2.1385777174 -6.8650713533 -15.0055032612 3090 FE CORE -7.9906568908 -1.0096300707 13.8825222358 3091 FE CORE -7.9906568908 4.8458112147 13.8825222364 3092 FE CORE -7.9906568908 -6.8650713560 13.8825222353 3093 P CORE -11.2209764192 10.6652397378 -0.1072387280 3094 O CORE -9.7300833127 10.5594723496 0.4790876013 3095 O SHEL -9.7350870619 10.5482234252 0.4667890899 3096 O CORE -11.9958218191 9.3825493803 0.5022087848 3097 O SHEL -12.0026980772 9.3734394292 0.4891216803 3098 O CORE -11.2964301283 10.7913973412 -1.7037300053 3099 O SHEL -11.3125425153 10.8030839536 -1.6984332576 3100 O CORE -12.0241571881 11.8967294550 0.5553550532 3101 O SHEL -12.0416651783 11.9101741208 0.5292936315 3102 P CORE -11.2209764875 10.6652397369 9.5221031281 3103 O CORE -9.7300833810 10.5594723487 10.1084294574 3104 O SHEL -9.7350871302 10.5482234243 10.0961309460 3105 O CORE -11.2964301966 10.7913973403 7.9256118508 3106 O SHEL -11.3125425836 10.8030839527 7.9309085985 3107 O CORE -11.9958218874 9.3825493794 10.1315506409 3108 O SHEL -12.0026981455 9.3734394283 10.1184635364 3109 O CORE -12.0241572564 11.8967294541 10.1846969093 3110 O SHEL -12.0416652466 11.9101741199 10.1586354876 3111 P CORE -11.2209763509 10.6652397387 -9.7365805841 3112 O CORE -9.7300832444 10.5594723505 -9.1502542548 3113 O SHEL -9.7350869936 10.5482234261 -9.1625527662 3114 O CORE -11.9958217508 9.3825493812 -9.1271330713 3115 O SHEL -12.0026980089 9.3734394301 -9.1402201758 3116 O CORE -12.0241571198 11.8967294559 -9.0739868029 3117 O SHEL -12.0416651100 11.9101741217 -9.1000482246 3118 O CORE -11.2964300600 10.7913973421 -11.3330718614 3119 O SHEL -11.3125424470 10.8030839545 -11.3277751137 3120 P CORE -4.2370671352 -9.8057579663 -12.0854930921 3121 O CORE -3.5418041731 -8.5502749362 -11.2958917033 3122 O SHEL -3.5384723151 -8.5685485240 -11.2942815913 3123 O CORE -3.3720817871 -10.9594231696 -11.3291600307 3124 O SHEL -3.3478391209 -10.9259046679 -11.3213020298 3125 O CORE -5.8015651169 -9.7804646555 -11.8053482641 3126 O SHEL -5.8335182205 -9.7726058043 -11.8446966965 3127 O CORE -3.8484439040 -9.8327590733 -13.6262656017 3128 O SHEL -3.7972743401 -9.8329885369 -13.6355740107 3129 P CORE 5.8921672681 -9.8057579663 -12.0854930203 3130 O CORE 6.5874302302 -8.5502749362 -11.2958916315 3131 O SHEL 6.5907620882 -8.5685485240 -11.2942815195 3132 O CORE 4.3276692864 -9.7804646555 -11.8053481923 3133 O SHEL 4.2957161828 -9.7726058043 -11.8446966247 3134 O CORE 6.7571526162 -10.9594231696 -11.3291599589 3135 O SHEL 6.7813952824 -10.9259046679 -11.3213019580 3136 O CORE 6.2807904993 -9.8327590733 -13.6262655299 3137 O SHEL 6.3319600632 -9.8329885369 -13.6355739389 3138 P CORE -11.2209764533 10.6899393633 4.7074322001 3139 O CORE -9.7300833468 10.7957067513 5.2937585294 3140 O SHEL -9.7350870960 10.8069556757 5.2814600179 3141 O CORE -11.2964301625 10.5637817602 3.1109409228 3142 O SHEL -11.3125425494 10.5520951478 3.1162376704 3143 O CORE -12.0241572223 9.4584496459 5.3700259810 3144 O SHEL -12.0416652124 9.4450049801 5.3439645593 3145 O CORE -11.9958218532 11.9726297206 5.3168797131 3146 O SHEL -12.0026981113 11.9817396717 5.3037926086 3147 P CORE -11.2209763850 10.6899393642 -4.9219096560 3148 O CORE -9.7300832785 10.7957067522 -4.3355833267 3149 O SHEL -9.7350870277 10.8069556766 -4.3478818382 3150 O CORE -12.0241571540 9.4584496468 -4.2593158751 3151 O SHEL -12.0416651441 9.4450049810 -4.2853772968 3152 O CORE -11.2964300942 10.5637817611 -6.5184009333 3153 O SHEL -11.3125424811 10.5520951487 -6.5131041857 3154 O CORE -11.9958217849 11.9726297215 -4.3124621430 3155 O SHEL -12.0026980430 11.9817396726 -4.3255492475 3156 MN CORE 17.8774603728 -4.0490321666 -0.3416957783 3157 FE CORE 2.1385776491 16.5566937872 -5.3761614029 3158 MN CORE -2.3810085363 7.8378874108 14.1023168634 3159 MN CORE 7.7482258670 7.8378874108 14.1023169352 3160 FE CORE 2.1385777515 -1.0569559687 -19.8201741887 3161 MN CORE -2.3810082972 1.8064091205 -19.6003796335 3162 FE CORE -2.9260394683 4.7984853165 -17.2549729353 3163 MN CORE 2.6836087528 19.3727329746 1.7839162310 3164 P CORE 0.8275501239 1.8837306441 -20.1749831236 3165 O CORE 1.2161733332 1.9107317511 -18.6342106085 3166 O SHEL 1.2673428969 1.9109612147 -18.6249021988 3167 O CORE -0.7369478539 1.8584373333 -20.4551279738 3168 O SHEL -0.7689009581 1.8505784821 -20.4157795418 3169 O CORE 1.5228130971 0.6282476139 -20.9645845026 3170 O SHEL 1.5261449552 0.6465212018 -20.9661946145 3171 O CORE 1.6925354827 3.0373958474 -20.9313161728 3172 O SHEL 1.7167781490 3.0038773457 -20.9391741733 3173 LI CORE 0.0000001366 0.0000000018 -22.0586837122 3174 P CORE -14.3663016409 7.7391719273 2.3585196219 3175 O CORE -13.6710386789 6.4836888970 3.1481210105 3176 O SHEL -13.6677068208 6.5019624848 3.1497311224 3177 O CORE -13.9776784098 7.7661730346 0.8177471123 3178 O SHEL -13.9265088459 7.7664024982 0.8084387033 3179 O CORE -13.5013162928 8.8928371305 3.1148526836 3180 O SHEL -13.4770736266 8.8593186288 3.1227106844 3181 O CORE -15.9307996227 7.7138786164 2.6386644499 3182 O SHEL -15.9627527263 7.7060197653 2.5993160175 3183 P CORE -14.3663015726 7.7391719282 -7.2708222342 3184 O CORE -13.6710386106 6.4836888979 -6.4812208456 3185 O SHEL -13.6677067525 6.5019624857 -6.4796107337 3186 O CORE -13.5013162245 8.8928371314 -6.5144891725 3187 O SHEL -13.4770735583 8.8593186297 -6.5066311717 3188 O CORE -13.9776783415 7.7661730355 -8.8115947438 3189 O SHEL -13.9265087776 7.7664024991 -8.8209031528 3190 O CORE -15.9307995544 7.7138786173 -6.9906774062 3191 O SHEL -15.9627526580 7.7060197662 -7.0300258386 3192 P CORE -14.3663016751 7.7605658880 7.1731905500 3193 O CORE -13.5013163270 6.6069006846 7.9295236114 3194 O SHEL -13.4770736608 6.6404191863 7.9373816123 3195 O CORE -13.9776784439 7.7335647809 5.6324180403 3196 O SHEL -13.9265088800 7.7333353173 5.6231096314 3197 O CORE -13.6710387130 9.0160489181 7.9627919388 3198 O SHEL -13.6677068550 8.9977753303 7.9644020507 3199 O CORE -15.9307996568 7.7858591988 7.4533353780 3200 O SHEL -15.9627527604 7.7937180499 7.4139869455 3201 P CORE -14.3663016068 7.7605658889 -2.4561513061 3202 O CORE -13.5013162587 6.6069006855 -1.6998182447 3203 O SHEL -13.4770735925 6.6404191872 -1.6919602438 3204 O CORE -13.6710386447 9.0160489190 -1.6665499173 3205 O SHEL -13.6677067867 8.9977753312 -1.6649398054 3206 O CORE -13.9776783756 7.7335647818 -3.9969238158 3207 O SHEL -13.9265088117 7.7333353182 -4.0062322247 3208 O CORE -15.9307995885 7.7858591997 -2.1760064781 3209 O SHEL -15.9627526921 7.7937180508 -2.2153549106 3210 FE CORE 17.3324292017 4.7984853147 2.0037109205 3211 P CORE -6.1563593317 -1.0209432085 15.9934716954 3212 O CORE -4.6654662169 -0.9151758203 15.4071453873 3213 O SHEL -4.6704699663 -0.9039268959 15.4194438987 3214 O CORE -6.9312047229 0.2617471490 15.3840241716 3215 O SHEL -6.9380809813 0.2708571001 15.3971112760 3216 O CORE -6.9595400912 -2.2524329257 15.3308779029 3217 O SHEL -6.9770480818 -2.2658775915 15.3569393244 3218 O CORE -6.2318130635 -1.1471008119 17.5899629717 3219 O SHEL -6.2479254504 -1.1587874243 17.5846662238 3220 P CORE -6.1563593317 4.8344980769 15.9934716960 3221 O CORE -4.6654662169 4.9402654650 15.4071453878 3222 O SHEL -4.6704699663 4.9515143894 15.4194438992 3223 O CORE -6.9595400912 3.6030083596 15.3308779034 3224 O SHEL -6.9770480818 3.5895636938 15.3569393249 3225 O CORE -6.9312047229 6.1171884344 15.3840241722 3226 O SHEL -6.9380809813 6.1262983854 15.3971112766 3227 O CORE -6.2318130635 4.7083404735 17.5899629722 3228 O SHEL -6.2479254504 4.6966538611 17.5846662243 3229 FE CORE 17.3324292358 4.8458112162 -2.8109600076 3230 P CORE 14.1021096456 -1.0456428322 -8.0798828012 3231 O CORE 14.0266559139 -0.9194852291 -6.4833915250 3232 O SHEL 14.0105435269 -0.9077986167 -6.4886882729 3233 O CORE 13.2989288861 0.1858468852 -8.7424765935 3234 O SHEL 13.2814208956 0.1992915510 -8.7164151721 3235 O CORE 13.3272642544 -2.3283331895 -8.6893303253 3236 O SHEL 13.3203879961 -2.3374431406 -8.6762432209 3237 O CORE 15.5930027605 -1.1514102202 -8.6662091094 3238 O SHEL 15.5879990111 -1.1626591446 -8.6539105980 3239 P CORE 14.1021096456 4.8097984532 -8.0798828007 3240 O CORE 14.0266559139 4.9359560563 -6.4833915244 3241 O SHEL 14.0105435269 4.9476426687 -6.4886882723 3242 O CORE 13.3272642544 3.5271080958 -8.6893303247 3243 O SHEL 13.3203879961 3.5179981448 -8.6762432203 3244 O CORE 13.2989288861 6.0412881706 -8.7424765930 3245 O SHEL 13.2814208956 6.0547328364 -8.7164151715 3246 O CORE 15.5930027605 4.7040310651 -8.6662091088 3247 O SHEL 15.5879990111 4.6927821407 -8.6539105974 3248 P CORE 14.1021096456 -6.9010841175 -8.0798828018 3249 O CORE 14.0266559139 -6.7749265144 -6.4833915255 3250 O SHEL 14.0105435269 -6.7632399020 -6.4886882734 3251 O CORE 13.2989288861 -5.6695944001 -8.7424765941 3252 O SHEL 13.2814208956 -5.6561497343 -8.7164151726 3253 O CORE 13.3272642544 -8.1837744749 -8.6893303258 3254 O SHEL 13.3203879961 -8.1928844259 -8.6762432214 3255 O CORE 15.5930027605 -7.0068515056 -8.6662091099 3256 O SHEL 15.5879990111 -7.0181004300 -8.6539105985 3257 MN CORE 2.6836087186 -15.5838777299 6.5985871558 3258 MN CORE -12.5102428713 -9.7284364443 4.4729749339 3259 MN CORE -12.5102428030 -9.7284364434 -5.1563669222 3260 P CORE -1.0917420842 -12.7565254045 9.5221031977 3261 O CORE -1.1671957933 -12.6303678011 7.9256119204 3262 O SHEL -1.1833081803 -12.6186811887 7.9309086681 3263 O CORE -1.8949228531 -11.5250356873 10.1846969789 3264 O SHEL -1.9124308433 -11.5115910215 10.1586355572 3265 O CORE 0.3991510223 -12.8622927927 10.1084295270 3266 O SHEL 0.3941472731 -12.8735417171 10.0961310156 3267 O CORE -1.8665874841 -14.0392157620 10.1315507105 3268 O SHEL -1.8734637422 -14.0483257131 10.1184636060 3269 P CORE 9.0374923191 -12.7565254045 9.5221032695 3270 O CORE 8.2343115502 -11.5250356873 10.1846970507 3271 O SHEL 8.2168035600 -11.5115910215 10.1586356290 3272 O CORE 8.9620386100 -12.6303678011 7.9256119922 3273 O SHEL 8.9459262230 -12.6186811887 7.9309087399 3274 O CORE 8.2626469192 -14.0392157620 10.1315507823 3275 O SHEL 8.2557706611 -14.0483257131 10.1184636778 3276 O CORE 10.5283854256 -12.8622927927 10.1084295988 3277 O SHEL 10.5233816764 -12.8735417171 10.0961310874 3278 FE CORE -2.9260396732 10.6539265991 11.6330526335 3279 FE CORE 7.2031947301 10.6539265991 11.6330527053 3280 P CORE 0.8275499190 13.5946132121 8.7130424458 3281 O CORE 1.5228128922 12.3391301819 7.9234410668 3282 O SHEL 1.5261447503 12.3574037698 7.9218309549 3283 O CORE -0.7369480588 13.5693199013 8.4328975956 3284 O SHEL -0.7689011630 13.5614610501 8.4722460276 3285 O CORE 1.2161731283 13.6216143191 10.2538149609 3286 O SHEL 1.2673426920 13.6218437827 10.2631233706 3287 O CORE 1.6925352778 14.7482784154 7.9567093966 3288 O SHEL 1.7167779441 14.7147599137 7.9488513961 3289 LI CORE -0.0000001366 -5.8554412872 16.4586837116 3290 LI CORE -0.0000001366 5.8554412835 16.4586837127 3291 P CORE 0.8275498507 -3.9717106449 18.3423843002 3292 O CORE 1.6925352095 -2.8180454416 17.5860512511 3293 O SHEL 1.7167778758 -2.8515639433 17.5781932506 3294 O CORE 1.5228128239 -5.2271936750 17.5527829213 3295 O SHEL 1.5261446820 -5.2089200872 17.5511728094 3296 O CORE -0.7369481271 -3.9970039557 18.0622394500 3297 O SHEL -0.7689012313 -4.0048628068 18.1015878820 3298 O CORE 1.2161730600 -3.9447095379 19.8831568154 3299 O SHEL 1.2673426237 -3.9444800743 19.8924652250 3300 LI CORE 20.2584687725 -2.0665860398 2.0146710715 3301 LI CORE -20.2584688407 -2.0665860398 2.0146707843 3302 MN CORE 17.8774603386 1.9824461264 4.4729751504 3303 MN CORE 17.8774603386 -3.8729951590 4.4729751498 3304 FE CORE -18.1198912258 -1.0096300698 4.2531803079 3305 MN CORE 2.6836088552 -9.7284364427 -12.6600965559 3306 MN CORE -7.4456255481 -9.7284364427 -12.6600966277 3307 P CORE -21.3502108225 -1.0456428329 -0.1072388009 3308 O CORE -19.8593177160 -1.1514102211 0.4790875284 3309 O SHEL -19.8643214652 -1.1626591455 0.4667890170 3310 O CORE -21.4256645316 -0.9194852295 -1.7037300782 3311 O SHEL -21.4417769186 -0.9077986171 -1.6984333305 3312 O CORE -22.1533915914 0.1858468843 0.5553549803 3313 O SHEL -22.1708995816 0.1992915501 0.5292935586 3314 O CORE -22.1250562224 -2.3283331904 0.5022087119 3315 O SHEL -22.1319324805 -2.3374431415 0.4891216074 3316 MN CORE -12.5102428371 -9.9044734520 -0.3416959942 3317 MN CORE -12.5102429054 -9.9044734529 9.2876458619 3318 P CORE 0.8275499873 -21.5380344991 -0.9162994136 3319 O CORE 1.6925353461 -20.3843692958 -1.6726324628 3320 O SHEL 1.7167780124 -20.4178877975 -1.6804904633 3321 O CORE 1.2161731966 -21.5110333921 0.6244731015 3322 O SHEL 1.2673427603 -21.5108039285 0.6337815112 3323 O CORE -0.7369479905 -21.5633278099 -1.1964442638 3324 O SHEL -0.7689010947 -21.5711866611 -1.1570958318 3325 O CORE 1.5228129605 -22.7935175293 -1.7059007926 3326 O SHEL 1.5261448186 -22.7752439414 -1.7075109045 3327 FE CORE 12.2678120865 -1.0569559696 -10.1908322608 3328 FE CORE 12.2678120865 4.7984853158 -10.1908322603 3329 FE CORE 12.2678120865 -6.9123972549 -10.1908322614 3330 MN CORE -12.5102427688 1.8064091196 -9.9710378492 3331 MN CORE -12.5102427688 -4.0490321657 -9.9710378498 3332 MN CORE -12.5102427688 7.6618504050 -9.9710378487 3333 MN CORE -12.5102427688 -9.9044734511 -9.9710378503 3334 P CORE -1.0917419476 -12.7565254027 -9.7365805145 3335 O CORE -1.8949227165 -11.5250356855 -9.0739867333 3336 O SHEL -1.9124307067 -11.5115910197 -9.1000481550 3337 O CORE 0.3991511589 -12.8622927909 -9.1502541852 3338 O SHEL 0.3941474097 -12.8735417153 -9.1625526966 3339 O CORE -1.8665873475 -14.0392157602 -9.1271330017 3340 O SHEL -1.8734636056 -14.0483257113 -9.1402201062 3341 O CORE -1.1671956567 -12.6303677993 -11.3330717918 3342 O SHEL -1.1833080437 -12.6186811869 -11.3277750441 3343 P CORE 9.0374924557 -12.7565254027 -9.7365804427 3344 O CORE 8.2343116868 -11.5250356855 -9.0739866615 3345 O SHEL 8.2168036966 -11.5115910197 -9.1000480832 3346 O CORE 8.2626470558 -14.0392157602 -9.1271329299 3347 O SHEL 8.2557707977 -14.0483257113 -9.1402200344 3348 O CORE 10.5283855622 -12.8622927909 -9.1502541134 3349 O SHEL 10.5233818130 -12.8735417153 -9.1625526248 3350 O CORE 8.9620387466 -12.6303677993 -11.3330717200 3351 O SHEL 8.9459263596 -12.6186811869 -11.3277749723 3352 P CORE 3.9728753106 4.8097984541 -17.7092247286 3353 O CORE 3.8974215789 4.9359560572 -16.1127334523 3354 O SHEL 3.8813091919 4.9476426696 -16.1180302002 3355 O CORE 3.1980299194 3.5271080967 -18.3186722526 3356 O SHEL 3.1911536611 3.5179981457 -18.3055851482 3357 O CORE 3.1696945511 6.0412881715 -18.3718185209 3358 O SHEL 3.1521865606 6.0547328373 -18.3457570994 3359 O CORE 5.4637684255 4.7040310660 -18.2955510367 3360 O SHEL 5.4587646761 4.6927821416 -18.2832525253 3361 MN CORE 7.7482260719 1.9824461282 -14.7857086336 3362 MN CORE 7.7482260719 -3.8729951572 -14.7857086342 3363 MN CORE 12.8128431219 -9.7284364445 6.5985872281 3364 MN CORE 12.8128431902 -9.7284364436 -3.0307546280 3365 LI CORE 10.1292344716 0.0000000009 -12.4293417843 3366 LI CORE -10.1292343350 0.0000000009 -12.4293419279 3367 LI CORE 10.1292344716 5.8554412862 -12.4293417838 3368 LI CORE 10.1292344716 -5.8554412845 -12.4293417849 3369 LI CORE -10.1292343350 5.8554412862 -12.4293419274 3370 LI CORE -10.1292343350 -5.8554412845 -12.4293419285 3371 P CORE 3.9728752082 -18.5872670627 -3.2652119466 3372 O CORE 3.1980298170 -17.3045767052 -3.8746594704 3373 O SHEL 3.1911535586 -17.2954667542 -3.8615723660 3374 O CORE 3.8974214764 -18.7134246661 -1.6687206704 3375 O SHEL 3.8813090895 -18.7251112785 -1.6740174183 3376 O CORE 5.4637683230 -18.4814996746 -3.8515382548 3377 O SHEL 5.4587645736 -18.4702507502 -3.8392397434 3378 O CORE 3.1696944487 -19.8187567800 -3.9278057392 3379 O SHEL 3.1521864581 -19.8322014458 -3.9017443177 3380 MN CORE 2.6836087869 19.5487699831 -3.0307546970 3381 P CORE 3.9728751740 -18.6119666891 1.5494589814 3382 O CORE 3.1696944145 -17.3804769717 0.8868651891 3383 O SHEL 3.1521864240 -17.3670323059 0.9129266106 3384 O CORE 3.8974214423 -18.4858090860 3.1459502577 3385 O SHEL 3.8813090553 -18.4741224736 3.1406535098 3386 O CORE 5.4637682889 -18.7177340772 0.9631326733 3387 O SHEL 5.4587645395 -18.7289830016 0.9754311847 3388 O CORE 3.1980297828 -19.8946570465 0.9400114574 3389 O SHEL 3.1911535245 -19.9037669975 0.9530985618 3390 MN CORE -2.3810083314 7.8378874135 -14.7857087049 3391 MN CORE 7.7482260719 7.8378874135 -14.7857086331 3392 LI CORE 5.0646171517 17.5663238554 4.2422203431 3393 LI CORE 5.0646171517 -17.5663238567 4.2422203398 3394 LI CORE -5.0646172516 17.5663238554 4.2422202713 3395 LI CORE -5.0646172516 -17.5663238567 4.2422202680 3396 P CORE -16.2855936667 -1.0209432076 6.3641297675 3397 O CORE -14.7947005519 -0.9151758194 5.7778034594 3398 O SHEL -14.7997043013 -0.9039268950 5.7901019708 3399 O CORE -16.3610473985 -1.1471008110 7.9606210438 3400 O SHEL -16.3771597854 -1.1587874234 7.9553242959 3401 O CORE -17.0604390579 0.2617471499 5.7546822437 3402 O SHEL -17.0673153163 0.2708571010 5.7677693481 3403 O CORE -17.0887744262 -2.2524329248 5.7015359750 3404 O SHEL -17.1062824168 -2.2658775906 5.7275973965 3405 P CORE -16.2855936667 4.8344980778 6.3641297681 3406 O CORE -14.7947005519 4.9402654659 5.7778034599 3407 O SHEL -14.7997043013 4.9515143903 5.7901019713 3408 O CORE -17.0887744262 3.6030083605 5.7015359755 3409 O SHEL -17.1062824168 3.5895636947 5.7275973970 3410 O CORE -16.3610473985 4.7083404744 7.9606210443 3411 O SHEL -16.3771597854 4.6966538620 7.9553242964 3412 O CORE -17.0604390579 6.1171884353 5.7546822443 3413 O SHEL -17.0673153163 6.1262983863 5.7677693487 3414 P CORE -6.1563592293 16.5206810230 1.5494589129 3415 O CORE -6.9312046205 15.2379906656 0.9400113889 3416 O SHEL -6.9380808788 15.2288807146 0.9530984933 3417 O CORE -4.6654661144 16.4149136349 0.9631326048 3418 O SHEL -4.6704698638 16.4036647105 0.9754311162 3419 O CORE -6.2318129610 16.6468386261 3.1459501892 3420 O SHEL -6.2479253480 16.6585252385 3.1406534413 3421 O CORE -6.9595399888 17.7521707404 0.8868651206 3422 O SHEL -6.9770479793 17.7656154062 0.9129265421 3423 P CORE 5.8921670632 1.9051246017 16.8025325491 3424 O CORE 6.2807902944 1.8781234947 15.2617600395 3425 O SHEL 6.3319598583 1.8778940311 15.2524516305 3426 O CORE 4.3276690815 1.9304179125 17.0826773771 3427 O SHEL 4.2957159779 1.9382767637 17.0433289447 3428 O CORE 6.7571524113 0.7514593984 17.5588656105 3429 O SHEL 6.7813950775 0.7849779001 17.5667236114 3430 O CORE 6.5874300253 3.1606076318 17.5921339379 3431 O SHEL 6.5907618833 3.1423340440 17.5937440499 3432 P CORE 5.8921670632 -3.9503166836 16.8025325486 3433 O CORE 6.2807902944 -3.9773177907 15.2617600389 3434 O SHEL 6.3319598583 -3.9775472543 15.2524516300 3435 O CORE 4.3276690815 -3.9250233728 17.0826773766 3436 O SHEL 4.2957159779 -3.9171645217 17.0433289441 3437 O CORE 6.5874300253 -2.6948336535 17.5921339374 3438 O SHEL 6.5907618833 -2.7131072413 17.5937440493 3439 O CORE 6.7571524113 -5.1039818870 17.5588656100 3440 O SHEL 6.7813950775 -5.0704633853 17.5667236109 3441 P CORE -6.1563591951 16.5453806494 -3.2652120151 3442 O CORE -6.9595399546 15.3138909321 -3.9278058077 3443 O SHEL -6.9770479452 15.3004462663 -3.9017443862 3444 O CORE -6.2318129269 16.4192230460 -1.6687207389 3445 O SHEL -6.2479253138 16.4075364336 -1.6740174868 3446 O CORE -4.6654660803 16.6511480375 -3.8515383233 3447 O SHEL -4.6704698297 16.6623969619 -3.8392398119 3448 O CORE -6.9312045863 17.8280710069 -3.8746595389 3449 O SHEL -6.9380808447 17.8371809579 -3.8615724345 3450 MN CORE 12.8128431561 -9.9044734522 1.7839163001 3451 MN CORE 12.8128432244 -9.9044734513 -7.8454255560 3452 P CORE 5.8921673023 1.8837306438 -16.9001639472 3453 O CORE 4.3276693205 1.8584373329 -16.6200191192 3454 O SHEL 4.2957162169 1.8505784818 -16.6593675517 3455 O CORE 6.5874302643 0.6282476135 -16.1105625586 3456 O SHEL 6.5907621224 0.6465212013 -16.1089524467 3457 O CORE 6.7571526504 3.0373958469 -16.1438308856 3458 O SHEL 6.7813953166 3.0038773453 -16.1359728847 3459 O CORE 6.2807905334 1.9107317511 -18.4409364569 3460 O SHEL 6.3319600973 1.9109612147 -18.4502448658 3461 P CORE 5.8921673023 -3.9717106416 -16.9001639478 3462 O CORE 4.3276693205 -3.9970039525 -16.6200191198 3463 O SHEL 4.2957162169 -4.0048628036 -16.6593675522 3464 O CORE 6.7571526504 -2.8180454384 -16.1438308861 3465 O SHEL 6.7813953166 -2.8515639401 -16.1359728853 3466 O CORE 6.5874302643 -5.2271936719 -16.1105625592 3467 O SHEL 6.5907621224 -5.2089200841 -16.1089524473 3468 O CORE 6.2807905334 -3.9447095343 -18.4409364574 3469 O SHEL 6.3319600973 -3.9444800707 -18.4502448664 3470 MN CORE -2.3810085021 13.5172916885 9.2876459359 3471 MN CORE 7.7482259012 13.5172916885 9.2876460077 3472 FE CORE 2.1385775808 -18.5759539258 4.2531804499 3473 P CORE -9.3016845185 1.9051246020 13.5277133009 3474 O CORE -8.4366991596 0.7514593989 12.7713802516 3475 O SHEL -8.4124564933 0.7849779005 12.7635222511 3476 O CORE -8.6064215452 3.1606076323 12.7381119222 3477 O SHEL -8.6030896872 3.1423340445 12.7365018103 3478 O CORE -10.8661824963 1.9304179129 13.2475684507 3479 O SHEL -10.8981356004 1.9382767640 13.2869168827 3480 O CORE -8.9130613092 1.8781234947 15.0684858161 3481 O SHEL -8.8618917454 1.8778940311 15.0777942257 3482 P CORE -9.3016845185 -3.9503166833 13.5277133004 3483 O CORE -8.6064215452 -2.6948336531 12.7381119217 3484 O SHEL -8.6030896872 -2.7131072409 12.7365018098 3485 O CORE -8.4366991596 -5.1039818865 12.7713802510 3486 O SHEL -8.4124564933 -5.0704633848 12.7635222505 3487 O CORE -10.8661824963 -3.9250233725 13.2475684502 3488 O SHEL -10.8981356004 -3.9171645214 13.2869168822 3489 O CORE -8.9130613092 -3.9773177906 15.0684858155 3490 O SHEL -8.8618917454 -3.9775472543 15.0777942252 3491 P CORE -9.3016845185 7.7605658874 13.5277133015 3492 O CORE -8.4366991596 6.6069006842 12.7713802521 3493 O SHEL -8.4124564933 6.6404191859 12.7635222516 3494 O CORE -8.6064215452 9.0160489176 12.7381119228 3495 O SHEL -8.6030896872 8.9977753298 12.7365018109 3496 O CORE -10.8661824963 7.7858591982 13.2475684513 3497 O SHEL -10.8981356004 7.7937180493 13.2869168833 3498 O CORE -8.9130613092 7.7335647801 15.0684858166 3499 O SHEL -8.8618917454 7.7333353164 15.0777942263 3500 LI CORE 5.0646171175 -13.7774686112 9.0568912682 3501 LI CORE -5.0646172858 -13.7774686112 9.0568911964 3502 P CORE -4.2370672718 -15.6611992534 7.1731906196 3503 O CORE -3.5418043097 -14.4057162233 7.9627920084 3504 O SHEL -3.5384724517 -14.4239898111 7.9644021203 3505 O CORE -3.8484440406 -15.6882003605 5.6324181099 3506 O SHEL -3.7972744767 -15.6884298241 5.6231097010 3507 O CORE -5.8015652535 -15.6359059426 7.4533354476 3508 O SHEL -5.8335183571 -15.6280470915 7.4139870151 3509 O CORE -3.3720819237 -16.8148644568 7.9295236810 3510 O SHEL -3.3478392575 -16.7813459551 7.9373816819 3511 P CORE 5.8921671315 -15.6611992534 7.1731906914 3512 O CORE 6.5874300936 -14.4057162233 7.9627920802 3513 O SHEL 6.5907619516 -14.4239898111 7.9644021921 3514 O CORE 4.3276691498 -15.6359059426 7.4533355194 3515 O SHEL 4.2957160462 -15.6280470915 7.4139870869 3516 O CORE 6.2807903627 -15.6882003605 5.6324181817 3517 O SHEL 6.3319599266 -15.6884298241 5.6231097728 3518 O CORE 6.7571524796 -16.8148644568 7.9295237528 3519 O SHEL 6.7813951458 -16.7813459551 7.9373817537 3520 P CORE 3.9728750716 -6.8763844938 15.9934717667 3521 O CORE 3.1980296804 -5.5936941363 15.3840242429 3522 O SHEL 3.1911534220 -5.5845841853 15.3971113473 3523 O CORE 3.1696943121 -8.1078742111 15.3308779741 3524 O SHEL 3.1521863215 -8.1213188769 15.3569393956 3525 O CORE 5.4637681864 -6.7706171057 15.4071454585 3526 O SHEL 5.4587644370 -6.7593681813 15.4194439699 3527 O CORE 3.8974213398 -7.0025420972 17.5899630429 3528 O SHEL 3.8813089529 -7.0142287096 17.5846662950 3529 P CORE -6.1563593317 -6.8763844938 15.9934716949 3530 O CORE -4.6654662169 -6.7706171057 15.4071453867 3531 O SHEL -4.6704699663 -6.7593681813 15.4194438981 3532 O CORE -6.9312047229 -5.5936941363 15.3840241711 3533 O SHEL -6.9380809813 -5.5845841853 15.3971112755 3534 O CORE -6.9595400912 -8.1078742111 15.3308779023 3535 O SHEL -6.9770480818 -8.1213188769 15.3569393238 3536 O CORE -6.2318130635 -7.0025420972 17.5899629711 3537 O SHEL -6.2479254504 -7.0142287096 17.5846662232 3538 P CORE -9.3016844160 13.5946132130 -0.9162994821 3539 O CORE -8.6064214428 12.3391301828 -1.7059008611 3540 O SHEL -8.6030895847 12.3574037707 -1.7075109730 3541 O CORE -8.9130612067 13.6216143200 0.6244730330 3542 O SHEL -8.8618916430 13.6218437836 0.6337814427 3543 O CORE -8.4366990572 14.7482784163 -1.6726325313 3544 O SHEL -8.4124563909 14.7147599146 -1.6804905318 3545 O CORE -10.8661823938 13.5693199022 -1.1964443323 3546 O SHEL -10.8981354980 13.5614610510 -1.1570959003 3547 P CORE -9.3016844843 13.5946132121 8.7130423740 3548 O CORE -8.6064215111 12.3391301819 7.9234409950 3549 O SHEL -8.6030896530 12.3574037698 7.9218308831 3550 O CORE -8.4366991255 14.7482784154 7.9567093248 3551 O SHEL -8.4124564592 14.7147599137 7.9488513243 3552 O CORE -8.9130612750 13.6216143191 10.2538148891 3553 O SHEL -8.8618917113 13.6218437827 10.2631232988 3554 O CORE -10.8661824621 13.5693199013 8.4328975238 3555 O SHEL -10.8981355663 13.5614610501 8.4722459558 3556 P CORE 3.9728751399 16.5453806485 6.3641299128 3557 O CORE 3.1696943804 15.3138909312 5.7015361202 3558 O SHEL 3.1521863898 15.3004462654 5.7275975417 3559 O CORE 3.8974214081 16.4192230451 7.9606211890 3560 O SHEL 3.8813090212 16.4075364327 7.9553244411 3561 O CORE 5.4637682547 16.6511480366 5.7778036046 3562 O SHEL 5.4587645053 16.6623969610 5.7901021160 3563 O CORE 3.1980297487 17.8280710060 5.7546823890 3564 O SHEL 3.1911534903 17.8371809570 5.7677694934 3565 P CORE -6.1563592634 16.5453806485 6.3641298410 3566 O CORE -6.9595400229 15.3138909312 5.7015360484 3567 O SHEL -6.9770480135 15.3004462654 5.7275974699 3568 O CORE -4.6654661486 16.6511480366 5.7778035328 3569 O SHEL -4.6704698980 16.6623969610 5.7901020442 3570 O CORE -6.2318129952 16.4192230451 7.9606211172 3571 O SHEL -6.2479253821 16.4075364327 7.9553243693 3572 O CORE -6.9312046546 17.8280710060 5.7546823172 3573 O SHEL -6.9380809130 17.8371809570 5.7677694216 3574 P CORE -9.3016844502 13.6160071736 3.8983714459 3575 O CORE -8.4366990913 12.4623419705 3.1420383966 3576 O SHEL -8.4124564250 12.4958604721 3.1341803961 3577 O CORE -8.9130612409 13.5890060663 5.4391439611 3578 O SHEL -8.8618916771 13.5887766027 5.4484523707 3579 O CORE -8.6064214769 14.8714902039 3.1087700672 3580 O SHEL -8.6030896189 14.8532166161 3.1071599553 3581 O CORE -10.8661824280 13.6413004845 3.6182265957 3582 O SHEL -10.8981355321 13.6491593356 3.6575750277 3583 P CORE -9.3016843819 13.6160071745 -5.7309704102 3584 O CORE -8.4366990230 12.4623419714 -6.4873034595 3585 O SHEL -8.4124563567 12.4958604730 -6.4951614600 3586 O CORE -8.9130611726 13.5890060672 -4.1901978950 3587 O SHEL -8.8618916088 13.5887766036 -4.1808894854 3588 O CORE -10.8661823597 13.6413004854 -6.0111152604 3589 O SHEL -10.8981354638 13.6491593365 -5.9717668284 3590 O CORE -8.6064214086 14.8714902048 -6.5205717889 3591 O SHEL -8.6030895506 14.8532166170 -6.5221819008 3592 FE CORE -18.1198911917 4.7984853149 -0.5614906196 3593 FE CORE 12.2678120182 10.6539266002 -0.5614904036 3594 FE CORE 12.2678119499 10.6539265993 9.0678514525 3595 FE CORE 12.2678120865 10.6539266011 -10.1908322597 3596 P CORE -4.2370671693 -15.6825932132 -7.2708221646 3597 O CORE -3.3720818212 -14.5289280100 -6.5144891029 3598 O SHEL -3.3478391550 -14.5624465117 -6.5066311021 3599 O CORE -5.8015651511 -15.7078865241 -6.9906773366 3600 O SHEL -5.8335182547 -15.7157453752 -7.0300257690 3601 O CORE -3.5418042073 -16.9380762435 -6.4812207760 3602 O SHEL -3.5384723492 -16.9198026557 -6.4796106641 3603 O CORE -3.8484439382 -15.6555921059 -8.8115946742 3604 O SHEL -3.7972743743 -15.6553626423 -8.8209030832 3605 P CORE 5.8921672340 -15.6825932132 -7.2708220928 3606 O CORE 6.7571525821 -14.5289280100 -6.5144890311 3607 O SHEL 6.7813952483 -14.5624465117 -6.5066310303 3608 O CORE 4.3276692522 -15.7078865241 -6.9906772648 3609 O SHEL 4.2957161486 -15.7157453752 -7.0300256972 3610 O CORE 6.5874301960 -16.9380762435 -6.4812207042 3611 O SHEL 6.5907620541 -16.9198026557 -6.4796105923 3612 O CORE 6.2807904651 -15.6555921059 -8.8115946024 3613 O SHEL 6.3319600290 -15.6553626423 -8.8209030114 3614 LI CORE 5.0646172200 17.5663238563 -5.3871215130 3615 LI CORE 5.0646172200 -17.5663238558 -5.3871215163 3616 LI CORE -5.0646171833 17.5663238563 -5.3871215848 3617 LI CORE -5.0646171833 -17.5663238558 -5.3871215881 3618 FE CORE 2.1385776832 -12.7678385403 -10.1908323337 3619 FE CORE -7.9906567201 -12.7678385403 -10.1908324055 3620 FE CORE -18.1198912258 4.8458112156 4.2531803085 3621 MN CORE -2.3810085704 -4.0490321684 18.9169877903 3622 FE CORE 12.2678119841 10.7012525009 4.2531805244 3623 FE CORE 12.2678120524 10.7012525018 -5.3761613317 3624 P CORE 21.0860187939 1.8837306423 -0.9162992678 3625 O CORE 19.5215208161 1.8584373315 -1.1964441180 3626 O SHEL 19.4895677119 1.8505784803 -1.1570956860 3627 O CORE 21.4746420032 1.9107317493 0.6244732473 3628 O SHEL 21.5258115669 1.9109612129 0.6337816570 3629 O CORE 21.7812817671 0.6282476121 -1.7059006468 3630 O SHEL 21.7846136252 0.6465212000 -1.7075107587 3631 O CORE 21.9510041527 3.0373958456 -1.6726323170 3632 O SHEL 21.9752468190 3.0038773439 -1.6804903175 3633 FE CORE -7.9906566859 -1.0096300680 -15.0055033325 3634 FE CORE -7.9906566859 4.8458112174 -15.0055033319 3635 FE CORE -7.9906566859 -6.8650713533 -15.0055033330 3636 MN CORE -7.4456256847 -15.5838777299 6.5985870840 3637 MN CORE -7.4456256164 -15.5838777290 -3.0307547721 3638 MN CORE 17.8774604069 1.9824461273 -5.1563667057 3639 MN CORE 17.8774604069 -3.8729951581 -5.1563667063 3640 LI CORE 20.2584688066 0.0000000000 -2.7999998564 3641 LI CORE -20.2584688066 0.0000000000 -2.8000001436 3642 LI CORE 0.0000000342 15.4997378172 -7.6146709266 3643 LI CORE 15.1938515891 -7.9220273249 -0.5724505155 3644 LI CORE -15.1938516208 -7.9220273249 -0.5724507309 3645 P CORE 0.8275500897 7.7605658901 -15.3603121950 3646 O CORE 1.2161732990 7.7335647828 -13.8195396799 3647 O SHEL 1.2673428628 7.7333353191 -13.8102312702 3648 O CORE -0.7369478881 7.7858592009 -15.6404570452 3649 O SHEL -0.7689009922 7.7937180520 -15.6011086132 3650 O CORE 1.6925354486 6.6069006869 -16.1166452444 3651 O SHEL 1.7167781149 6.6404191886 -16.1245032449 3652 O CORE 1.5228130630 9.0160489203 -16.1499135737 3653 O SHEL 1.5261449210 8.9977753325 -16.1515236856 3654 FE CORE -2.9260395025 10.7012525025 -12.4403020067 3655 FE CORE 7.2031949008 10.7012525025 -12.4403019349 3656 P CORE -16.2855936667 -6.8763844929 6.3641297670 3657 O CORE -14.7947005519 -6.7706171048 5.7778034588 3658 O SHEL -14.7997043013 -6.7593681804 5.7901019702 3659 O CORE -17.0604390579 -5.5936941354 5.7546822432 3660 O SHEL -17.0673153163 -5.5845841844 5.7677693476 3661 O CORE -16.3610473985 -7.0025420963 7.9606210432 3662 O SHEL -16.3771597854 -7.0142287087 7.9553242953 3663 O CORE -17.0887744262 -8.1078742102 5.7015359744 3664 O SHEL -17.1062824168 -8.1213188760 5.7275973959 3665 P CORE -16.2855935984 -6.8763844920 -3.2652120891 3666 O CORE -14.7947004836 -6.7706171039 -3.8515383973 3667 O SHEL -14.7997042330 -6.7593681795 -3.8392398859 3668 O CORE -16.3610473302 -7.0025420954 -1.6687208129 3669 O SHEL -16.3771597171 -7.0142287078 -1.6740175608 3670 O CORE -17.0604389896 -5.5936941345 -3.8746596129 3671 O SHEL -17.0673152480 -5.5845841835 -3.8615725085 3672 O CORE -17.0887743579 -8.1078742093 -3.9278058817 3673 O SHEL -17.1062823485 -8.1213188751 -3.9017444602 3674 P CORE -16.2855936326 -6.9010841184 1.5494588389 3675 O CORE -14.7947005177 -7.0068515065 0.9631325308 3676 O SHEL -14.7997042671 -7.0181004309 0.9754310422 3677 O CORE -16.3610473643 -6.7749265153 3.1459501152 3678 O SHEL -16.3771597513 -6.7632399029 3.1406533673 3679 O CORE -17.0887743921 -5.6695944010 0.8868650466 3680 O SHEL -17.1062823826 -5.6561497352 0.9129264681 3681 O CORE -17.0604390238 -8.1837744758 0.9400113149 3682 O SHEL -17.0673152821 -8.1928844268 0.9530984193 3683 P CORE 16.0214015348 1.9051246026 7.1731907648 3684 O CORE 14.4569035531 1.9304179134 7.4533355928 3685 O SHEL 14.4249504495 1.9382767646 7.4139871604 3686 O CORE 16.4100247660 1.8781234956 5.6324182552 3687 O SHEL 16.4611943299 1.8778940320 5.6231098462 3688 O CORE 16.8863868829 0.7514593993 7.9295238262 3689 O SHEL 16.9106295491 0.7849779010 7.9373818271 3690 O CORE 16.7166644969 3.1606076327 7.9627921536 3691 O SHEL 16.7199963549 3.1423340449 7.9644022656 3692 P CORE 16.0214015348 -3.9503166827 7.1731907643 3693 O CORE 14.4569035531 -3.9250233719 7.4533355923 3694 O SHEL 14.4249504495 -3.9171645208 7.4139871598 3695 O CORE 16.4100247660 -3.9773177898 5.6324182546 3696 O SHEL 16.4611943299 -3.9775472534 5.6231098457 3697 O CORE 16.7166644969 -2.6948336526 7.9627921531 3698 O SHEL 16.7199963549 -2.7131072404 7.9644022650 3699 O CORE 16.8863868829 -5.1039818861 7.9295238257 3700 O SHEL 16.9106295491 -5.0704633844 7.9373818266 3701 MN CORE -7.4456256505 -15.7599147375 1.7839161559 3702 P CORE 16.0214016373 1.8837306429 -7.2708220193 3703 O CORE 14.4569036555 1.8584373320 -6.9906771913 3704 O SHEL 14.4249505519 1.8505784809 -7.0300256238 3705 O CORE 16.7166645993 0.6282476126 -6.4812206307 3706 O SHEL 16.7199964574 0.6465212004 -6.4796105188 3707 O CORE 16.8863869854 3.0373958460 -6.5144889577 3708 O SHEL 16.9106296516 3.0038773444 -6.5066309568 3709 O CORE 16.4100248684 1.9107317502 -8.8115945290 3710 O SHEL 16.4611944323 1.9109612138 -8.8209029379 3711 P CORE 16.0214016373 -3.9717106425 -7.2708220199 3712 O CORE 14.4569036555 -3.9970039534 -6.9906771919 3713 O SHEL 14.4249505519 -4.0048628045 -7.0300256243 3714 O CORE 16.8863869854 -2.8180454393 -6.5144889582 3715 O SHEL 16.9106296516 -2.8515639410 -6.5066309574 3716 O CORE 16.7166645993 -5.2271936728 -6.4812206313 3717 O SHEL 16.7199964574 -5.2089200850 -6.4796105194 3718 O CORE 16.4100248684 -3.9447095352 -8.8115945295 3719 O SHEL 16.4611944323 -3.9444800716 -8.8209029385 3720 P CORE -1.0917420500 -18.5872670634 4.7074322692 3721 O CORE -1.8665874499 -17.3045767061 5.3168797822 3722 O SHEL -1.8734637080 -17.2954667550 5.3037926777 3723 O CORE 0.3991510565 -18.4814996754 5.2937585984 3724 O SHEL 0.3941473073 -18.4702507510 5.2814600870 3725 O CORE -1.1671957592 -18.7134246666 3.1109409918 3726 O SHEL -1.1833081461 -18.7251112789 3.1162377395 3727 O CORE -1.8949228190 -19.8187567808 5.3700260501 3728 O SHEL -1.9124308091 -19.8322014466 5.3439646283 3729 FE CORE -2.9260397074 -6.8650713563 16.4477235599 3730 P CORE -19.4309188535 1.9051246029 3.8983713730 3731 O CORE -18.5659334946 0.7514593998 3.1420383237 3732 O SHEL -18.5416908283 0.7849779014 3.1341803232 3733 O CORE -18.7356558802 3.1606076332 3.1087699943 3734 O SHEL -18.7323240222 3.1423340454 3.1071598824 3735 O CORE -19.0422956442 1.8781234956 5.4391438882 3736 O SHEL -18.9911260804 1.8778940320 5.4484522978 3737 O CORE -20.9954168313 1.9304179138 3.6182265228 3738 O SHEL -21.0273699354 1.9382767649 3.6575749548 3739 MN CORE 7.7482259353 -15.5838777297 4.4729750769 3740 MN CORE 7.7482260036 -15.5838777288 -5.1563667792 3741 P CORE 0.8275498848 -9.8057579687 13.5277133716 3742 O CORE 1.5228128581 -8.5502749384 12.7381119929 3743 O SHEL 1.5261447161 -8.5685485262 12.7365018810 3744 O CORE -0.7369480930 -9.7804646578 13.2475685214 3745 O SHEL -0.7689011971 -9.7726058067 13.2869169534 3746 O CORE 1.6925352437 -10.9594231718 12.7713803223 3747 O SHEL 1.7167779100 -10.9259046702 12.7635223218 3748 O CORE 1.2161730941 -9.8327590760 15.0684858868 3749 O SHEL 1.2673426579 -9.8329885396 15.0777942964 3750 P CORE -9.3016845185 -9.8057579687 13.5277132998 3751 O CORE -8.6064215452 -8.5502749384 12.7381119211 3752 O SHEL -8.6030896872 -8.5685485262 12.7365018092 3753 O CORE -8.4366991596 -10.9594231718 12.7713802505 3754 O SHEL -8.4124564933 -10.9259046702 12.7635222500 3755 O CORE -10.8661824963 -9.7804646578 13.2475684496 3756 O SHEL -10.8981356004 -9.7726058067 13.2869168816 3757 O CORE -8.9130613092 -9.8327590760 15.0684858150 3758 O SHEL -8.8618917454 -9.8329885396 15.0777942246 3759 LI CORE -0.0000001707 -2.0665860416 21.2733546401 3760 P CORE 0.8275499531 19.4714484590 3.8983715183 3761 O CORE 1.6925353120 18.3177832558 3.1420384689 3762 O SHEL 1.7167779783 18.3513017575 3.1341804684 3763 O CORE -0.7369480247 19.4967417698 3.6182266681 3764 O SHEL -0.7689011288 19.5046006209 3.6575751001 3765 O CORE 1.2161731624 19.4444473517 5.4391440334 3766 O SHEL 1.2673427262 19.4442178880 5.4484524431 3767 O CORE 1.5228129264 20.7269314892 3.1087701396 3768 O SHEL 1.5261447844 20.7086579014 3.1071600277 3769 LI CORE -0.0000000341 21.3551791016 2.0146709301 3770 P CORE 9.0374922850 -1.0209432083 14.3367741987 3771 O CORE 8.9620385758 -1.1471008114 12.7402829214 3772 O SHEL 8.9459261889 -1.1587874238 12.7455796690 3773 O CORE 8.2626468851 0.2617471490 14.9462217117 3774 O SHEL 8.2557706270 0.2708571001 14.9331346072 3775 O CORE 8.2343115160 -2.2524329257 14.9993679796 3776 O SHEL 8.2168035259 -2.2658775915 14.9733065579 3777 O CORE 10.5283853915 -0.9151758203 14.9231005280 3778 O SHEL 10.5233816423 -0.9039268959 14.9108020165 3779 P CORE 9.0374922850 4.8344980771 14.3367741993 3780 O CORE 8.9620385758 4.7083404739 12.7402829219 3781 O SHEL 8.9459261889 4.6966538616 12.7455796696 3782 O CORE 8.2343115160 3.6030083597 14.9993679802 3783 O SHEL 8.2168035259 3.5895636939 14.9733065584 3784 O CORE 8.2626468851 6.1171884344 14.9462217123 3785 O SHEL 8.2557706270 6.1262983855 14.9331346078 3786 O CORE 10.5283853915 4.9402654651 14.9231005285 3787 O SHEL 10.5233816423 4.9515143895 14.9108020171 3788 P CORE 9.0374922850 -6.8763844936 14.3367741982 3789 O CORE 8.9620385758 -7.0025420968 12.7402829208 3790 O SHEL 8.9459261889 -7.0142287091 12.7455796685 3791 O CORE 8.2626468851 -5.5936941363 14.9462217112 3792 O SHEL 8.2557706270 -5.5845841852 14.9331346067 3793 O CORE 8.2343115160 -8.1078742110 14.9993679791 3794 O SHEL 8.2168035259 -8.1213188768 14.9733065573 3795 O CORE 10.5283853915 -6.7706171056 14.9231005274 3796 O SHEL 10.5233816423 -6.7593681812 14.9108020160 3797 FE CORE -2.9260396391 16.5566937860 6.8183817060 3798 P CORE -19.4309188535 -3.9503166824 3.8983713725 3799 O CORE -18.7356558802 -2.6948336522 3.1087699938 3800 O SHEL -18.7323240222 -2.7131072400 3.1071598819 3801 O CORE -18.5659334946 -5.1039818856 3.1420383231 3802 O SHEL -18.5416908283 -5.0704633839 3.1341803226 3803 O CORE -19.0422956442 -3.9773177897 5.4391438876 3804 O SHEL -18.9911260804 -3.9775472534 5.4484522973 3805 O CORE -20.9954168313 -3.9250233716 3.6182265223 3806 O SHEL -21.0273699354 -3.9171645205 3.6575749543 3807 P CORE -19.4309188193 -3.9717106431 -0.9162995556 3808 O CORE -18.5659334605 -2.8180454398 -1.6726326047 3809 O SHEL -18.5416907942 -2.8515639415 -1.6804906052 3810 O CORE -19.0422956100 -3.9447095361 0.6244729596 3811 O SHEL -18.9911260463 -3.9444800725 0.6337813692 3812 O CORE -18.7356558461 -5.2271936732 -1.7059009345 3813 O SHEL -18.7323239880 -5.2089200854 -1.7075110464 3814 O CORE -20.9954167971 -3.9970039539 -1.1964444058 3815 O SHEL -21.0273699013 -4.0048628050 -1.1570959738 3816 FE CORE 22.3970464215 -1.0569559705 -0.5614903329 3817 P CORE -1.0917420159 22.3761223085 -0.1072386551 3818 O CORE -1.8665874158 21.0934319510 0.5022088577 3819 O SHEL -1.8734636739 21.0843219999 0.4891217532 3820 O CORE 0.3991510906 22.2703549203 0.4790876742 3821 O SHEL 0.3941473414 22.2591059959 0.4667891628 3822 O CORE -1.1671957250 22.5022799119 -1.7037299324 3823 O SHEL -1.1833081120 22.5139665243 -1.6984331847 3824 O CORE -1.8949227848 23.6076120257 0.5553551261 3825 O SHEL -1.9124307750 23.6210566915 0.5292937044 3826 MN CORE -2.3810083655 13.5172916903 -9.9710377763 3827 MN CORE 7.7482260378 13.5172916903 -9.9710377045 3828 FE CORE 2.1385774783 4.7984853131 18.6971932362 3829 FE CORE -18.1198911575 -1.0096300689 -5.3761615482 3830 FE CORE -18.1198911575 4.8458112165 -5.3761615476 3831 MN CORE 7.7482259695 -15.7599147373 -0.3416958512 3832 P CORE -1.0917419817 -18.5872670625 -4.9219095869 3833 O CORE -1.8665873816 -17.3045767052 -4.3124620739 3834 O SHEL -1.8734636397 -17.2954667541 -4.3255491784 3835 O CORE 0.3991511248 -18.4814996745 -4.3355832577 3836 O SHEL 0.3941473756 -18.4702507501 -4.3478817691 3837 O CORE -1.1671956909 -18.7134246657 -6.5184008643 3838 O SHEL -1.1833080778 -18.7251112780 -6.5131041166 3839 O CORE -1.8949227507 -19.8187567799 -4.2593158060 3840 O SHEL -1.9124307408 -19.8322014457 -4.2853772278 3841 P CORE 3.9728752765 10.6899393649 -12.8945538000 3842 O CORE 3.8974215447 10.5637817615 -11.2980625237 3843 O SHEL 3.8813091578 10.5520951491 -11.3033592716 3844 O CORE 3.1696945170 9.4584496477 -13.5571475925 3845 O SHEL 3.1521865264 9.4450049819 -13.5310861710 3846 O CORE 5.4637683913 10.7957067531 -13.4808801081 3847 O SHEL 5.4587646419 10.8069556775 -13.4685815967 3848 O CORE 3.1980298853 11.9726297224 -13.5040013238 3849 O SHEL 3.1911536269 11.9817396735 -13.4909142194 3850 P CORE -6.1563591268 10.6899393649 -12.8945538718 3851 O CORE -6.2318128586 10.5637817615 -11.2980625955 3852 O SHEL -6.2479252455 10.5520951491 -11.3033593434 3853 O CORE -4.6654660120 10.7957067531 -13.4808801799 3854 O SHEL -4.6704697614 10.8069556775 -13.4685816685 3855 O CORE -6.9595398863 9.4584496477 -13.5571476643 3856 O SHEL -6.9770478769 9.4450049819 -13.5310862428 3857 O CORE -6.9312045180 11.9726297224 -13.5040013956 3858 O SHEL -6.9380807764 11.9817396735 -13.4909142912 3859 P CORE 9.0374924899 -1.0209432056 -14.5512513696 3860 O CORE 8.2626470900 0.2617471517 -13.9418038566 3861 O SHEL 8.2557708319 0.2708571028 -13.9548909611 3862 O CORE 8.2343117209 -2.2524329230 -13.8886575887 3863 O SHEL 8.2168037308 -2.2658775888 -13.9147190104 3864 O CORE 10.5283855964 -0.9151758176 -13.9649250403 3865 O SHEL 10.5233818472 -0.9039268932 -13.9772235518 3866 O CORE 8.9620387807 -1.1471008087 -16.1477426469 3867 O SHEL 8.9459263938 -1.1587874211 -16.1424458993 3868 P CORE 9.0374924899 4.8344980798 -14.5512513690 3869 O CORE 8.2343117209 3.6030083624 -13.8886575881 3870 O SHEL 8.2168037308 3.5895636966 -13.9147190099 3871 O CORE 8.2626470900 6.1171884371 -13.9418038560 3872 O SHEL 8.2557708319 6.1262983882 -13.9548909605 3873 O CORE 10.5283855964 4.9402654678 -13.9649250398 3874 O SHEL 10.5233818472 4.9515143922 -13.9772235512 3875 O CORE 8.9620387807 4.7083404766 -16.1477426464 3876 O SHEL 8.9459263938 4.6966538643 -16.1424458987 3877 P CORE 9.0374924899 -6.8763844909 -14.5512513701 3878 O CORE 8.2626470900 -5.5936941336 -13.9418038571 3879 O SHEL 8.2557708319 -5.5845841825 -13.9548909616 3880 O CORE 8.2343117209 -8.1078742083 -13.8886575892 3881 O SHEL 8.2168037308 -8.1213188741 -13.9147190110 3882 O CORE 10.5283855964 -6.7706171029 -13.9649250409 3883 O SHEL 10.5233818472 -6.7593681785 -13.9772235523 3884 O CORE 8.9620387807 -7.0025420941 -16.1477426475 3885 O SHEL 8.9459263938 -7.0142287064 -16.1424458998 3886 MN CORE 2.6836088211 -15.7599147366 -7.8454256284 3887 MN CORE -7.4456255822 -15.7599147366 -7.8454257002 3888 MN CORE -2.3810082972 -4.0490321648 -19.6003796341 3889 FE CORE 7.2031946959 -1.0096300709 16.4477236323 3890 FE CORE 7.2031946959 4.8458112144 16.4477236328 3891 FE CORE 7.2031946959 -6.8650713563 16.4477236317 3892 MN CORE -7.4456257530 1.9824461253 16.2279289417 3893 MN CORE -7.4456257530 -3.8729951601 16.2279289412 3894 P CORE -4.2370672376 19.4500544980 2.3585196948 3895 O CORE -3.5418042756 18.1945714677 3.1481210834 3896 O SHEL -3.5384724175 18.2128450555 3.1497311953 3897 O CORE -3.8484440065 19.4770556053 0.8177471852 3898 O SHEL -3.7972744426 19.4772850689 0.8084387762 3899 O CORE -5.8015652194 19.4247611871 2.6386645228 3900 O SHEL -5.8335183230 19.4169023360 2.5993160904 3901 O CORE -3.3720818895 20.6037197012 3.1148527565 3902 O SHEL -3.3478392233 20.5702011995 3.1227107573 3903 P CORE -4.2370672035 19.4714484596 -2.4561512332 3904 O CORE -3.3720818554 18.3177832562 -1.6998181718 3905 O SHEL -3.3478391892 18.3513017579 -1.6919601709 3906 O CORE -5.8015651852 19.4967417704 -2.1760064052 3907 O SHEL -5.8335182888 19.5046006215 -2.2153548377 3908 O CORE -3.8484439723 19.4444473525 -3.9969237429 3909 O SHEL -3.7972744084 19.4442178889 -4.0062321518 3910 O CORE -3.5418042414 20.7269314897 -1.6665498444 3911 O SHEL -3.5384723834 20.7086579019 -1.6649397325 3912 FE CORE -13.0552740082 10.6539266000 2.0037107056 3913 FE CORE -13.0552739399 10.6539266009 -7.6256311505 3914 FE CORE 7.2031947984 16.5093678854 2.0037108498 3915 MN CORE 2.6836086162 1.8064091167 21.0425999416 3916 LI CORE 5.0646170492 -2.0665860414 18.6862331254 3917 LI CORE -5.0646173541 -2.0665860414 18.6862330536 3918 LI CORE 5.0646170492 3.7888552440 18.6862331260 3919 LI CORE -5.0646173541 3.7888552440 18.6862330542 3920 FE CORE -13.0552740424 10.7012525007 6.8183816337 3921 FE CORE -13.0552739741 10.7012525016 -2.8109602224 3922 FE CORE 7.2031947642 16.5566937860 6.8183817778 3923 FE CORE 7.2031948325 16.5566937869 -2.8109600783 3924 P CORE 16.0214015690 7.7391719273 2.3585198373 3925 O CORE 14.4569035872 7.7138786164 2.6386646653 3926 O SHEL 14.4249504836 7.7060197653 2.5993162329 3927 O CORE 16.7166645310 6.4836888970 3.1481212259 3928 O SHEL 16.7199963891 6.5019624848 3.1497313378 3929 O CORE 16.4100248001 7.7661730346 0.8177473277 3930 O SHEL 16.4611943640 7.7664024982 0.8084389187 3931 O CORE 16.8863869171 8.8928371305 3.1148528990 3932 O SHEL 16.9106295833 8.8593186288 3.1227108998 3933 P CORE 16.0214016373 7.7391719282 -7.2708220188 3934 O CORE 14.4569036555 7.7138786173 -6.9906771908 3935 O SHEL 14.4249505519 7.7060197662 -7.0300256232 3936 O CORE 16.7166645993 6.4836888979 -6.4812206302 3937 O SHEL 16.7199964574 6.5019624857 -6.4796105183 3938 O CORE 16.8863869854 8.8928371314 -6.5144889571 3939 O SHEL 16.9106296516 8.8593186297 -6.5066309563 3940 O CORE 16.4100248684 7.7661730355 -8.8115945284 3941 O SHEL 16.4611944323 7.7664024991 -8.8209029374 3942 P CORE 16.0214015348 7.7605658880 7.1731907654 3943 O CORE 14.4569035531 7.7858591988 7.4533355934 3944 O SHEL 14.4249504495 7.7937180499 7.4139871609 3945 O CORE 16.4100247660 7.7335647809 5.6324182557 3946 O SHEL 16.4611943299 7.7333353173 5.6231098468 3947 O CORE 16.8863868829 6.6069006846 7.9295238268 3948 O SHEL 16.9106295491 6.6404191863 7.9373818277 3949 O CORE 16.7166644969 9.0160489181 7.9627921542 3950 O SHEL 16.7199963549 8.9977753303 7.9644022661 3951 P CORE 16.0214016031 7.7605658889 -2.4561510907 3952 O CORE 14.4569036214 7.7858591997 -2.1760062627 3953 O SHEL 14.4249505178 7.7937180508 -2.2153546952 3954 O CORE 16.8863869512 6.6069006855 -1.6998180293 3955 O SHEL 16.9106296174 6.6404191872 -1.6919600284 3956 O CORE 16.4100248343 7.7335647818 -3.9969236004 3957 O SHEL 16.4611943982 7.7333353182 -4.0062320093 3958 O CORE 16.7166645652 9.0160489190 -1.6665497019 3959 O SHEL 16.7199964232 8.9977753312 -1.6649395900 3960 MN CORE -2.3810085363 -9.7284364452 14.1023168618 3961 MN CORE 7.7482258670 -9.7284364452 14.1023169336 3962 P CORE -6.1563590927 -1.0456428313 -17.7092248009 3963 O CORE -6.2318128244 -0.9194852282 -16.1127335247 3964 O SHEL -6.2479252114 -0.9077986158 -16.1180302726 3965 O CORE -4.6654659778 -1.1514102193 -18.2955511091 3966 O SHEL -4.6704697272 -1.1626591437 -18.2832525977 3967 O CORE -6.9595398522 0.1858468861 -18.3718185932 3968 O SHEL -6.9770478427 0.1992915519 -18.3457571718 3969 O CORE -6.9312044839 -2.3283331886 -18.3186723250 3970 O SHEL -6.9380807422 -2.3374431397 -18.3055852206 3971 P CORE -6.1563590927 4.8097984541 -17.7092248004 3972 O CORE -6.2318128244 4.9359560572 -16.1127335241 3973 O SHEL -6.2479252114 4.9476426696 -16.1180302720 3974 O CORE -4.6654659778 4.7040310660 -18.2955511085 3975 O SHEL -4.6704697272 4.6927821416 -18.2832525971 3976 O CORE -6.9312044839 3.5271080967 -18.3186723244 3977 O SHEL -6.9380807422 3.5179981457 -18.3055852200 3978 O CORE -6.9595398522 6.0412881715 -18.3718185927 3979 O SHEL -6.9770478427 6.0547328373 -18.3457571712 3980 P CORE 19.1667267566 -1.0209432074 4.7074324144 3981 O CORE 18.3918813567 0.2617471499 5.3168799274 3982 O SHEL 18.3850050986 0.2708571010 5.3037928229 3983 O CORE 18.3635459876 -2.2524329248 5.3700261953 3984 O SHEL 18.3460379975 -2.2658775906 5.3439647736 3985 O CORE 19.0912730474 -1.1471008105 3.1109411371 3986 O SHEL 19.0751606605 -1.1587874229 3.1162378847 3987 O CORE 20.6576198631 -0.9151758194 5.2937587437 3988 O SHEL 20.6526161139 -0.9039268950 5.2814602322 3989 LI CORE 10.1292343692 -13.7774686105 2.0146709986 3990 LI CORE -10.1292344374 -13.7774686105 2.0146708550 3991 LI CORE 10.1292344375 -13.7774686096 -7.6146708575 3992 LI CORE -10.1292343691 -13.7774686096 -7.6146710011 3993 P CORE 3.9728751057 -12.7565254047 11.1788008381 3994 O CORE 3.1696943462 -11.5250356873 10.5162070458 3995 O SHEL 3.1521863557 -11.5115910215 10.5422684672 3996 O CORE 5.4637682206 -12.8622927927 10.5924745299 3997 O SHEL 5.4587644712 -12.8735417171 10.6047730413 3998 O CORE 3.1980297145 -14.0392157620 10.5693533140 3999 O SHEL 3.1911534562 -14.0483257131 10.5824404184 4000 O CORE 3.8974213740 -12.6303678016 12.7752921143 4001 O SHEL 3.8813089870 -12.6186811892 12.7699953664 4002 P CORE -6.1563592976 -12.7565254047 11.1788007663 4003 O CORE -6.9595400571 -11.5250356873 10.5162069740 4004 O SHEL -6.9770480476 -11.5115910215 10.5422683954 4005 O CORE -4.6654661827 -12.8622927927 10.5924744581 4006 O SHEL -4.6704699321 -12.8735417171 10.6047729695 4007 O CORE -6.2318130293 -12.6303678016 12.7752920425 4008 O SHEL -6.2479254163 -12.6186811892 12.7699952946 4009 O CORE -6.9312046888 -14.0392157620 10.5693532422 4010 O SHEL -6.9380809471 -14.0483257131 10.5824403466 4011 FE CORE 2.1385776491 -18.5759539249 -5.3761614062 4012 P CORE -11.2209764533 -12.7318257781 4.7074321979 4013 O CORE -9.7300833468 -12.6260583901 5.2937585272 4014 O SHEL -9.7350870960 -12.6148094657 5.2814600157 4015 O CORE -11.9958218532 -11.4491354208 5.3168797109 4016 O SHEL -12.0026981113 -11.4400254697 5.3037926064 4017 O CORE -11.2964301625 -12.8579833812 3.1109409206 4018 O SHEL -11.3125425494 -12.8696699936 3.1162376682 4019 O CORE -12.0241572223 -13.9633154955 5.3700259788 4020 O SHEL -12.0416652124 -13.9767601613 5.3439645571 4021 P CORE -11.2209763850 -12.7318257772 -4.9219096582 4022 O CORE -9.7300832785 -12.6260583892 -4.3355833289 4023 O SHEL -9.7350870277 -12.6148094648 -4.3478818404 4024 O CORE -11.9958217849 -11.4491354199 -4.3124621452 4025 O SHEL -12.0026980430 -11.4400254688 -4.3255492497 4026 O CORE -11.2964300942 -12.8579833803 -6.5184009355 4027 O SHEL -11.3125424811 -12.8696699927 -6.5131041879 4028 O CORE -12.0241571540 -13.9633154946 -4.2593158773 4029 O SHEL -12.0416651441 -13.9767601604 -4.2853772990 4030 P CORE -1.0917421525 4.8097984506 19.1514450555 4031 O CORE -1.1671958616 4.9359560541 17.5549537782 4032 O SHEL -1.1833082486 4.9476426664 17.5602505259 4033 O CORE -1.8665875524 3.5271080932 19.7608925683 4034 O SHEL -1.8734638105 3.5179981421 19.7478054638 4035 O CORE 0.3991509540 4.7040310625 19.7377713848 4036 O SHEL 0.3941472048 4.6927821381 19.7254728733 4037 O CORE -1.8949229214 6.0412881679 19.8140388366 4038 O SHEL -1.9124309116 6.0547328337 19.7879774149 4039 P CORE 19.1667267907 4.8097984524 -0.1072385131 4040 O CORE 18.3918813908 3.5271080950 0.5022089997 4041 O SHEL 18.3850051327 3.5179981439 0.4891218952 4042 O CORE 18.3635460218 6.0412881697 0.5553552680 4043 O SHEL 18.3460380316 6.0547328355 0.5292938463 4044 O CORE 19.0912730816 4.9359560559 -1.7037297904 4045 O SHEL 19.0751606946 4.9476426682 -1.6984330427 4046 O CORE 20.6576198972 4.7040310643 0.4790878162 4047 O SHEL 20.6526161480 4.6927821399 0.4667893047 4048 P CORE -11.2209764192 -12.7565254036 -0.1072387302 4049 O CORE -9.7300833127 -12.8622927918 0.4790875991 4050 O SHEL -9.7350870619 -12.8735417162 0.4667890877 4051 O CORE -12.0241571881 -11.5250356864 0.5553550510 4052 O SHEL -12.0416651783 -11.5115910206 0.5292936293 4053 O CORE -11.2964301283 -12.6303678002 -1.7037300075 4054 O SHEL -11.3125425153 -12.6186811878 -1.6984332598 4055 O CORE -11.9958218191 -14.0392157611 0.5022087826 4056 O SHEL -12.0026980772 -14.0483257122 0.4891216781 4057 P CORE -11.2209764875 -12.7565254045 9.5221031259 4058 O CORE -11.2964301966 -12.6303678011 7.9256118486 4059 O SHEL -11.3125425836 -12.6186811887 7.9309085963 4060 O CORE -9.7300833810 -12.8622927927 10.1084294552 4061 O SHEL -9.7350871302 -12.8735417171 10.0961309438 4062 O CORE -12.0241572564 -11.5250356873 10.1846969071 4063 O SHEL -12.0416652466 -11.5115910215 10.1586354854 4064 O CORE -11.9958218874 -14.0392157620 10.1315506387 4065 O SHEL -12.0026981455 -14.0483257131 10.1184635342 4066 P CORE -11.2209763509 -12.7565254027 -9.7365805863 4067 O CORE -9.7300832444 -12.8622927909 -9.1502542570 4068 O SHEL -9.7350869936 -12.8735417153 -9.1625527684 4069 O CORE -12.0241571198 -11.5250356855 -9.0739868051 4070 O SHEL -12.0416651100 -11.5115910197 -9.1000482268 4071 O CORE -11.9958217508 -14.0392157602 -9.1271330735 4072 O SHEL -12.0026980089 -14.0483257113 -9.1402201780 4073 O CORE -11.2964300600 -12.6303677993 -11.3330718636 4074 O SHEL -11.3125424470 -12.6186811869 -11.3277751159 4075 LI CORE 5.0646172541 -13.7774686094 -10.2017924440 4076 LI CORE -5.0646171492 -13.7774686094 -10.2017925158 4077 MN CORE -2.3810084338 -21.6153560227 -0.3416959235 4078 P CORE 19.1667267566 4.8344980780 4.7074324150 4079 O CORE 18.3635459876 3.6030083606 5.3700261959 4080 O SHEL 18.3460379975 3.5895636948 5.3439647741 4081 O CORE 18.3918813567 6.1171884353 5.3168799280 4082 O SHEL 18.3850050986 6.1262983864 5.3037928235 4083 O CORE 19.0912730474 4.7083404748 3.1109411376 4084 O SHEL 19.0751606605 4.6966538625 3.1162378853 4085 O CORE 20.6576198631 4.9402654660 5.2937587442 4086 O SHEL 20.6526161139 4.9515143904 5.2814602328 4087 MN CORE -2.3810084680 19.5487699824 4.4729750084 4088 LI CORE 20.2584687725 3.7888552456 2.0146710720 4089 LI CORE -20.2584688407 3.7888552456 2.0146707848 4090 MN CORE 2.6836086503 7.8378874106 16.2279290141 4091 MN CORE -7.4456257530 7.8378874106 16.2279289423 4092 P CORE 19.1667268249 -1.0209432065 -4.9219094417 4093 O CORE 18.3918814250 0.2617471508 -4.3124619287 4094 O SHEL 18.3850051669 0.2708571019 -4.3255490332 4095 O CORE 18.3635460559 -2.2524329239 -4.2593156608 4096 O SHEL 18.3460380658 -2.2658775897 -4.2853770825 4097 O CORE 19.0912731157 -1.1471008096 -6.5184007190 4098 O SHEL 19.0751607288 -1.1587874220 -6.5131039714 4099 O CORE 20.6576199314 -0.9151758185 -4.3355831124 4100 O SHEL 20.6526161822 -0.9039268941 -4.3478816239 4101 P CORE 19.1667268249 4.8344980789 -4.9219094411 4102 O CORE 18.3635460559 3.6030083615 -4.2593156602 4103 O SHEL 18.3460380658 3.5895636957 -4.2853770820 4104 O CORE 18.3918814250 6.1171884362 -4.3124619281 4105 O SHEL 18.3850051669 6.1262983873 -4.3255490326 4106 O CORE 19.0912731157 4.7083404757 -6.5184007185 4107 O SHEL 19.0751607288 4.6966538634 -6.5131039708 4108 O CORE 20.6576199314 4.9402654669 -4.3355831119 4109 O SHEL 20.6526161822 4.9515143913 -4.3478816233 4110 FE CORE -2.9260395366 16.5093678863 -7.6256310781 4111 FE CORE 7.2031948667 16.5093678863 -7.6256310063 4112 P CORE 0.8275500556 13.5946132139 -10.5456412664 4113 O CORE 1.2161732649 13.6216143209 -9.0048687513 4114 O SHEL 1.2673428286 13.6218437845 -8.9955603416 4115 O CORE 1.5228130288 12.3391301837 -11.3352426454 4116 O SHEL 1.5261448869 12.3574037716 -11.3368527573 4117 O CORE -0.7369479222 13.5693199031 -10.8257861166 4118 O SHEL -0.7689010264 13.5614610519 -10.7864376846 4119 O CORE 1.6925354144 14.7482784172 -11.3019743156 4120 O SHEL 1.7167780807 14.7147599155 -11.3098323161 4121 LI CORE 0.0000000683 11.7108825716 -12.4293418550 4122 LI CORE 0.0000000683 -11.7108825698 -12.4293418572 4123 P CORE -9.3016843477 13.5946132139 -10.5456413382 4124 O CORE -8.9130611384 13.6216143209 -9.0048688231 4125 O SHEL -8.8618915747 13.6218437845 -8.9955604134 4126 O CORE -8.6064213745 12.3391301837 -11.3352427172 4127 O SHEL -8.6030895164 12.3574037716 -11.3368528291 4128 O CORE -8.4366989889 14.7482784172 -11.3019743874 4129 O SHEL -8.4124563226 14.7147599155 -11.3098323879 4130 O CORE -10.8661823255 13.5693199031 -10.8257861884 4131 O SHEL -10.8981354297 13.5614610519 -10.7864377564 4132 LI CORE 10.1292344716 -11.7108825698 -12.4293417854 4133 LI CORE 10.1292344716 11.7108825716 -12.4293417832 4134 LI CORE -10.1292343350 11.7108825716 -12.4293419268 4135 LI CORE -10.1292343350 -11.7108825698 -12.4293419290 4136 P CORE 0.8275501239 -3.9717106413 -20.1749831242 4137 O CORE 1.2161733332 -3.9447095343 -18.6342106090 4138 O SHEL 1.2673428969 -3.9444800707 -18.6249021994 4139 O CORE -0.7369478539 -3.9970039521 -20.4551279744 4140 O SHEL -0.7689009581 -4.0048628032 -20.4157795424 4141 O CORE 1.6925354827 -2.8180454380 -20.9313161733 4142 O SHEL 1.7167781490 -2.8515639397 -20.9391741738 4143 O CORE 1.5228130971 -5.2271936714 -20.9645845031 4144 O SHEL 1.5261449552 -5.2089200836 -20.9661946150 4145 FE CORE 17.3324291675 -1.0096300700 6.8183818480 4146 FE CORE 17.3324291675 4.8458112153 6.8183818485 4147 FE CORE -2.9260394683 -6.9123972542 -17.2549729364 4148 P CORE -14.3663016751 -9.8057579681 7.1731905483 4149 O CORE -13.6710387130 -8.5502749380 7.9627919371 4150 O SHEL -13.6677068550 -8.5685485258 7.9644020491 4151 O CORE -13.9776784439 -9.8327590751 5.6324180387 4152 O SHEL -13.9265088800 -9.8329885387 5.6231096297 4153 O CORE -13.5013163270 -10.9594231714 7.9295236097 4154 O SHEL -13.4770736608 -10.9259046697 7.9373816106 4155 O CORE -15.9307996568 -9.7804646573 7.4533353763 4156 O SHEL -15.9627527604 -9.7726058061 7.4139869439 4157 P CORE -14.3663016068 -9.8057579672 -2.4561513078 4158 O CORE -13.6710386447 -8.5502749371 -1.6665499190 4159 O SHEL -13.6677067867 -8.5685485249 -1.6649398070 4160 O CORE -13.5013162587 -10.9594231705 -1.6998182464 4161 O SHEL -13.4770735925 -10.9259046688 -1.6919602455 4162 O CORE -13.9776783756 -9.8327590742 -3.9969238174 4163 O SHEL -13.9265088117 -9.8329885378 -4.0062322264 4164 O CORE -15.9307995885 -9.7804646564 -2.1760064798 4165 O SHEL -15.9627526921 -9.7726058052 -2.2153549122 4166 MN CORE -17.5748600880 1.9824461262 6.5985870138 4167 MN CORE -17.5748600880 -3.8729951592 6.5985870133 4168 P CORE -1.0917418793 4.8097984542 -19.3659223689 4169 O CORE -1.8665872792 3.5271080968 -18.7564748561 4170 O SHEL -1.8734635373 3.5179981457 -18.7695619606 4171 O CORE 0.3991512272 4.7040310661 -18.7795960396 4172 O SHEL 0.3941474780 4.6927821417 -18.7918945511 4173 O CORE -1.8949226482 6.0412881715 -18.7033285878 4174 O SHEL -1.9124306384 6.0547328373 -18.7293900095 4175 O CORE -1.1671955884 4.9359560577 -20.9624136462 4176 O SHEL -1.1833079754 4.9476426700 -20.9571168985 4177 FE CORE -2.9260397415 -1.0569559725 21.2623944885 4178 P CORE -14.3663016409 -9.8271519287 2.3585196203 4179 O CORE -13.5013162928 -8.6734867256 3.1148526819 4180 O SHEL -13.4770736266 -8.7070052272 3.1227106828 4181 O CORE -13.9776784098 -9.8001508214 0.8177471106 4182 O SHEL -13.9265088459 -9.7999213578 0.8084387017 4183 O CORE -13.6710386789 -11.0826349590 3.1481210089 4184 O SHEL -13.6677068208 -11.0643613712 3.1497311208 4185 O CORE -15.9307996227 -9.8524452396 2.6386644483 4186 O SHEL -15.9627527263 -9.8603040907 2.5993160158 4187 P CORE -14.3663015726 -9.8271519278 -7.2708222358 4188 O CORE -13.5013162245 -8.6734867247 -6.5144891742 4189 O SHEL -13.4770735583 -8.7070052263 -6.5066311733 4190 O CORE -13.6710386106 -11.0826349581 -6.4812208472 4191 O SHEL -13.6677067525 -11.0643613703 -6.4796107353 4192 O CORE -13.9776783415 -9.8001508205 -8.8115947455 4193 O SHEL -13.9265087776 -9.7999213569 -8.8209031544 4194 O CORE -15.9307995544 -9.8524452387 -6.9906774078 4195 O SHEL -15.9627526580 -9.8603040898 -7.0300258403 4196 FE CORE 17.3324291675 -6.8650713554 6.8183818474 4197 FE CORE 17.3324292358 -6.8650713545 -2.8109600087 4198 MN CORE 12.8128430878 1.8064091176 11.4132581573 4199 MN CORE 12.8128430878 -4.0490321677 11.4132581567 4200 MN CORE 12.8128430878 7.6618504030 11.4132581578 4201 MN CORE 12.8128430878 -9.9044734531 11.4132581562 4202 FE CORE 17.3324292017 -6.9123972560 2.0037109194 4203 LI CORE 15.1938515208 -2.0665860405 9.0568913411 4204 LI CORE -15.1938516891 -2.0665860405 9.0568911257 4205 LI CORE 15.1938515208 3.7888552449 9.0568913417 4206 LI CORE -15.1938516891 3.7888552449 9.0568911263 4207 LI CORE 15.1938515208 -7.9220273258 9.0568913406 4208 LI CORE -15.1938516891 -7.9220273258 9.0568911252 4209 MN CORE 2.6836087528 -21.6153560229 1.7839162272 4210 P CORE -16.2855935643 -1.0456428322 -8.0798830166 4211 O CORE -14.7947004494 -1.1514102202 -8.6662093248 4212 O SHEL -14.7997041988 -1.1626591446 -8.6539108134 4213 O CORE -16.3610472960 -0.9194852291 -6.4833917404 4214 O SHEL -16.3771596830 -0.9077986167 -6.4886884883 4215 O CORE -17.0887743238 0.1858468852 -8.7424768089 4216 O SHEL -17.1062823143 0.1992915510 -8.7164153875 4217 O CORE -17.0604389555 -2.3283331895 -8.6893305407 4218 O SHEL -17.0673152138 -2.3374431406 -8.6762434363 4219 P CORE -16.2855935643 4.8097984532 -8.0798830161 4220 O CORE -14.7947004494 4.7040310651 -8.6662093242 4221 O SHEL -14.7997041988 4.6927821407 -8.6539108128 4222 O CORE -16.3610472960 4.9359560563 -6.4833917398 4223 O SHEL -16.3771596830 4.9476426687 -6.4886884877 4224 O CORE -17.0604389555 3.5271080958 -8.6893305401 4225 O SHEL -17.0673152138 3.5179981448 -8.6762434357 4226 O CORE -17.0887743238 6.0412881706 -8.7424768084 4227 O SHEL -17.1062823143 6.0547328364 -8.7164153869 4228 P CORE -16.2855935643 -6.9010841175 -8.0798830172 4229 O CORE -14.7947004494 -7.0068515056 -8.6662093253 4230 O SHEL -14.7997041988 -7.0181004300 -8.6539108139 4231 O CORE -16.3610472960 -6.7749265144 -6.4833917409 4232 O SHEL -16.3771596830 -6.7632399020 -6.4886884888 4233 O CORE -17.0887743238 -5.6695944001 -8.7424768095 4234 O SHEL -17.1062823143 -5.6561497343 -8.7164153880 4235 O CORE -17.0604389555 -8.1837744749 -8.6893305412 4236 O SHEL -17.0673152138 -8.1928844259 -8.6762434368 4237 P CORE 0.8275499190 -15.6825932147 8.7130424430 4238 O CORE 1.6925352778 -14.5289280114 7.9567093939 4239 O SHEL 1.7167779441 -14.5624465131 7.9488513934 4240 O CORE -0.7369480588 -15.7078865255 8.4328975928 4241 O SHEL -0.7689011630 -15.7157453766 8.4722460248 4242 O CORE 1.2161731283 -15.6555921077 10.2538149582 4243 O SHEL 1.2673426920 -15.6553626441 10.2631233678 4244 O CORE 1.5228128922 -16.9380762448 7.9234410641 4245 O SHEL 1.5261447503 -16.9198026570 7.9218309522 4246 LI CORE -0.0000000683 17.5663238551 6.8293418577 4247 LI CORE -0.0000000683 -17.5663238570 6.8293418544 4248 FE CORE -2.9260396732 -12.7678385423 11.6330526313 4249 FE CORE 7.2031947301 -12.7678385423 11.6330527031 4250 MN CORE -22.6394772404 1.8064091187 -0.3416960649 4251 FE CORE 7.2031949350 -1.0569559689 -17.2549728641 4252 FE CORE 7.2031949350 4.7984853165 -17.2549728635 4253 FE CORE 7.2031949350 -6.9123972542 -17.2549728646 4254 MN CORE 2.6836087869 -21.4393190143 -3.0307547009 4255 P CORE 10.9567842881 1.9051246020 13.5277134445 4256 O CORE 9.3922863103 1.9304179129 13.2475685943 4257 O SHEL 9.3603332062 1.9382767640 13.2869170263 4258 O CORE 11.8217696470 0.7514593989 12.7713803952 4259 O SHEL 11.8460123133 0.7849779005 12.7635223947 4260 O CORE 11.6520472614 3.1606076323 12.7381120658 4261 O SHEL 11.6553791194 3.1423340445 12.7365019539 4262 O CORE 11.3454074974 1.8781234947 15.0684859597 4263 O SHEL 11.3965770612 1.8778940311 15.0777943693 4264 P CORE 10.9567842881 -3.9503166833 13.5277134440 4265 O CORE 9.3922863103 -3.9250233725 13.2475685938 4266 O SHEL 9.3603332062 -3.9171645214 13.2869170258 4267 O CORE 11.6520472614 -2.6948336531 12.7381120653 4268 O SHEL 11.6553791194 -2.7131072409 12.7365019534 4269 O CORE 11.8217696470 -5.1039818865 12.7713803946 4270 O SHEL 11.8460123133 -5.0704633848 12.7635223941 4271 O CORE 11.3454074974 -3.9773177906 15.0684859591 4272 O SHEL 11.3965770612 -3.9775472543 15.0777943688 4273 P CORE 10.9567842881 7.7605658874 13.5277134451 4274 O CORE 9.3922863103 7.7858591982 13.2475685949 4275 O SHEL 9.3603332062 7.7937180493 13.2869170269 4276 O CORE 11.8217696470 6.6069006842 12.7713803957 4277 O SHEL 11.8460123133 6.6404191859 12.7635223952 4278 O CORE 11.6520472614 9.0160489176 12.7381120664 4279 O SHEL 11.6553791194 8.9977753298 12.7365019545 4280 O CORE 11.3454074974 7.7335647801 15.0684859602 4281 O SHEL 11.3965770612 7.7333353164 15.0777943699 4282 P CORE 10.9567842881 -9.8057579687 13.5277134434 4283 O CORE 9.3922863103 -9.7804646578 13.2475685932 4284 O SHEL 9.3603332062 -9.7726058067 13.2869170252 4285 O CORE 11.6520472614 -8.5502749384 12.7381120647 4286 O SHEL 11.6553791194 -8.5685485262 12.7365019528 4287 O CORE 11.8217696470 -10.9594231718 12.7713803941 4288 O SHEL 11.8460123133 -10.9259046702 12.7635223936 4289 O CORE 11.3454074974 -9.8327590760 15.0684859586 4290 O SHEL 11.3965770612 -9.8329885396 15.0777943682 4291 FE CORE -7.9906567884 16.5093678856 -0.5614905467 4292 FE CORE 2.1385776149 22.3648091709 -0.5614904743 4293 MN CORE -2.3810083314 -9.7284364425 -14.7857087065 4294 MN CORE 7.7482260719 -9.7284364425 -14.7857086347 4295 FE CORE -7.9906568225 16.5566937863 4.2531803814 4296 FE CORE -7.9906567542 16.5566937872 -5.3761614747 4297 P CORE 10.9567843906 13.5946132130 -0.9162993385 4298 O CORE 9.3922864128 13.5693199022 -1.1964441887 4299 O SHEL 9.3603333086 13.5614610510 -1.1570957567 4300 O CORE 11.6520473638 12.3391301828 -1.7059007175 4301 O SHEL 11.6553792219 12.3574037707 -1.7075108294 4302 O CORE 11.3454075999 13.6216143200 0.6244731766 4303 O SHEL 11.3965771636 13.6218437836 0.6337815863 4304 O CORE 11.8217697494 14.7482784163 -1.6726323877 4305 O SHEL 11.8460124157 14.7147599146 -1.6804903882 4306 P CORE 10.9567843223 13.5946132121 8.7130425176 4307 O CORE 9.3922863445 13.5693199013 8.4328976674 4308 O SHEL 9.3603332403 13.5614610501 8.4722460994 4309 O CORE 11.6520472955 12.3391301819 7.9234411386 4310 O SHEL 11.6553791536 12.3574037698 7.9218310267 4311 O CORE 11.3454075316 13.6216143191 10.2538150327 4312 O SHEL 11.3965770953 13.6218437827 10.2631234424 4313 O CORE 11.8217696811 14.7482784154 7.9567094684 4314 O SHEL 11.8460123474 14.7147599137 7.9488514679 4315 P CORE 10.9567844589 13.5946132139 -10.5456411946 4316 O CORE 11.3454076682 13.6216143209 -9.0048686795 4317 O SHEL 11.3965772319 13.6218437845 -8.9955602698 4318 O CORE 9.3922864811 13.5693199031 -10.8257860448 4319 O SHEL 9.3603333769 13.5614610519 -10.7864376128 4320 O CORE 11.6520474321 12.3391301837 -11.3352425736 4321 O SHEL 11.6553792902 12.3574037716 -11.3368526855 4322 O CORE 11.8217698177 14.7482784172 -11.3019742438 4323 O SHEL 11.8460124840 14.7147599155 -11.3098322443 4324 LI CORE 5.0646171175 15.4997378156 9.0568912710 4325 LI CORE -5.0646172858 15.4997378156 9.0568911992 4326 P CORE -4.2370673401 7.7605658871 16.8025324779 4327 O CORE -3.8484441089 7.7335647800 15.2617599682 4328 O SHEL -3.7972745450 7.7333353164 15.2524515593 4329 O CORE -3.3720819920 6.6069006837 17.5588655393 4330 O SHEL -3.3478393258 6.6404191854 17.5667235402 4331 O CORE -5.8015653218 7.7858591979 17.0826773059 4332 O SHEL -5.8335184254 7.7937180490 17.0433288734 4333 O CORE -3.5418043780 9.0160489172 17.5921338667 4334 O SHEL -3.5384725200 8.9977753294 17.5937439786 4335 P CORE 5.8921670632 7.7605658871 16.8025325497 4336 O CORE 6.2807902944 7.7335647800 15.2617600400 4337 O SHEL 6.3319598583 7.7333353164 15.2524516311 4338 O CORE 4.3276690815 7.7858591979 17.0826773777 4339 O SHEL 4.2957159779 7.7937180490 17.0433289452 4340 O CORE 6.7571524113 6.6069006837 17.5588656111 4341 O SHEL 6.7813950775 6.6404191854 17.5667236120 4342 O CORE 6.5874300253 9.0160489172 17.5921339385 4343 O SHEL 6.5907618833 8.9977753294 17.5937440504 4344 P CORE 10.9567843564 13.6160071736 3.8983715895 4345 O CORE 9.3922863786 13.6413004845 3.6182267393 4346 O SHEL 9.3603332745 13.6491593356 3.6575751713 4347 O CORE 11.8217697153 12.4623419705 3.1420385402 4348 O SHEL 11.8460123816 12.4958604721 3.1341805397 4349 O CORE 11.3454075657 13.5890060663 5.4391441047 4350 O SHEL 11.3965771295 13.5887766027 5.4484525143 4351 O CORE 11.6520473297 14.8714902039 3.1087702108 4352 O SHEL 11.6553791877 14.8532166161 3.1071600989 4353 P CORE 10.9567844247 13.6160071745 -5.7309702666 4354 O CORE 9.3922864469 13.6413004854 -6.0111151168 4355 O SHEL 9.3603333428 13.6491593365 -5.9717666848 4356 O CORE 11.3454076340 13.5890060672 -4.1901977514 4357 O SHEL 11.3965771978 13.5887766036 -4.1808893418 4358 O CORE 11.8217697836 12.4623419714 -6.4873033159 4359 O SHEL 11.8460124499 12.4958604730 -6.4951613164 4360 O CORE 11.6520473980 14.8714902048 -6.5205716453 4361 O SHEL 11.6553792560 14.8532166170 -6.5221817572 4362 FE CORE 2.1385775125 10.7012525000 13.8825223087 4363 FE CORE -7.9906568908 10.7012525000 13.8825222369 4364 P CORE 3.9728752423 16.5206810239 -8.0798828714 4365 O CORE 3.1980298511 15.2379906665 -8.6893303954 4366 O SHEL 3.1911535928 15.2288807155 -8.6762432910 4367 O CORE 3.8974215106 16.6468386270 -6.4833915951 4368 O SHEL 3.8813091236 16.6585252394 -6.4886883430 4369 O CORE 5.4637683572 16.4149136358 -8.6662091795 4370 O SHEL 5.4587646078 16.4036647114 -8.6539106681 4371 O CORE 3.1696944828 17.7521707413 -8.7424766637 4372 O SHEL 3.1521864923 17.7656154071 -8.7164152422 4373 P CORE -6.1563591610 16.5206810239 -8.0798829432 4374 O CORE -6.2318128927 16.6468386270 -6.4833916669 4375 O SHEL -6.2479252797 16.6585252394 -6.4886884148 4376 O CORE -6.9312045522 15.2379906665 -8.6893304672 4377 O SHEL -6.9380808105 15.2288807155 -8.6762433628 4378 O CORE -4.6654660461 16.4149136358 -8.6662092513 4379 O SHEL -4.6704697955 16.4036647114 -8.6539107399 4380 O CORE -6.9595399205 17.7521707413 -8.7424767355 4381 O SHEL -6.9770479110 17.7656154071 -8.7164153140 4382 P CORE 3.9728753106 -6.9010841166 -17.7092247297 4383 O CORE 3.8974215789 -6.7749265135 -16.1127334534 4384 O SHEL 3.8813091919 -6.7632399011 -16.1180302013 4385 O CORE 3.1696945511 -5.6695943992 -18.3718185220 4386 O SHEL 3.1521865606 -5.6561497334 -18.3457571005 4387 O CORE 3.1980299194 -8.1837744740 -18.3186722537 4388 O SHEL 3.1911536611 -8.1928844250 -18.3055851493 4389 O CORE 5.4637684255 -7.0068515047 -18.2955510378 4390 O SHEL 5.4587646761 -7.0181004291 -18.2832525264 4391 P CORE -6.1563590927 -6.9010841166 -17.7092248015 4392 O CORE -6.2318128244 -6.7749265135 -16.1127335252 4393 O SHEL -6.2479252114 -6.7632399011 -16.1180302731 4394 O CORE -4.6654659778 -7.0068515047 -18.2955511096 4395 O SHEL -4.6704697272 -7.0181004291 -18.2832525982 4396 O CORE -6.9595398522 -5.6695943992 -18.3718185938 4397 O SHEL -6.9770478427 -5.6561497334 -18.3457571723 4398 O CORE -6.9312044839 -8.1837744740 -18.3186723255 4399 O SHEL -6.9380807422 -8.1928844250 -18.3055852211 4400 FE CORE 2.1385777515 4.7984853167 -19.8201741882 4401 P CORE -4.2370671010 7.7391719291 -16.9001640185 4402 O CORE -3.5418041390 6.4836888988 -16.1105626299 4403 O SHEL -3.5384722809 6.5019624866 -16.1089525180 4404 O CORE -3.3720817529 8.8928371323 -16.1438309568 4405 O SHEL -3.3478390867 8.8593186306 -16.1359729560 4406 O CORE -5.8015650828 7.7138786182 -16.6200191905 4407 O SHEL -5.8335181864 7.7060197671 -16.6593676229 4408 O CORE -3.8484438699 7.7661730364 -18.4409365281 4409 O SHEL -3.7972743060 7.7664025000 -18.4502449371 4410 P CORE 5.8921673023 7.7391719291 -16.9001639467 4411 O CORE 6.5874302643 6.4836888988 -16.1105625581 4412 O SHEL 6.5907621224 6.5019624866 -16.1089524462 4413 O CORE 4.3276693205 7.7138786182 -16.6200191187 4414 O SHEL 4.2957162169 7.7060197671 -16.6593675511 4415 O CORE 6.7571526504 8.8928371323 -16.1438308850 4416 O SHEL 6.7813953166 8.8593186306 -16.1359728842 4417 O CORE 6.2807905334 7.7661730364 -18.4409364563 4418 O SHEL 6.3319600973 7.7664025000 -18.4502448653 4419 P CORE -9.3016843136 1.9051246047 -15.3603122674 4420 O CORE -8.9130611043 1.8781234974 -13.8195397522 4421 O SHEL -8.8618915405 1.8778940338 -13.8102313426 4422 O CORE -8.4366989547 0.7514594016 -16.1166453167 4423 O SHEL -8.4124562884 0.7849779032 -16.1245033172 4424 O CORE -8.6064213403 3.1606076350 -16.1499136461 4425 O SHEL -8.6030894823 3.1423340472 -16.1515237580 4426 O CORE -10.8661822914 1.9304179156 -15.6404571176 4427 O SHEL -10.8981353955 1.9382767667 -15.6011086856 4428 P CORE -9.3016843136 -3.9503166806 -15.3603122679 4429 O CORE -8.9130611043 -3.9773177879 -13.8195397528 4430 O SHEL -8.8618915405 -3.9775472516 -13.8102313431 4431 O CORE -8.6064213403 -2.6948336504 -16.1499136466 4432 O SHEL -8.6030894823 -2.7131072382 -16.1515237585 4433 O CORE -8.4366989547 -5.1039818838 -16.1166453173 4434 O SHEL -8.4124562884 -5.0704633821 -16.1245033178 4435 O CORE -10.8661822914 -3.9250233698 -15.6404571181 4436 O SHEL -10.8981353955 -3.9171645187 -15.6011086861 4437 P CORE -9.3016843136 7.7605658901 -15.3603122668 4438 O CORE -8.9130611043 7.7335647828 -13.8195397517 4439 O SHEL -8.8618915405 7.7333353191 -13.8102313420 4440 O CORE -8.4366989547 6.6069006869 -16.1166453162 4441 O SHEL -8.4124562884 6.6404191886 -16.1245033167 4442 O CORE -8.6064213403 9.0160489203 -16.1499136455 4443 O SHEL -8.6030894823 8.9977753325 -16.1515237574 4444 O CORE -10.8661822914 7.7858592009 -15.6404571170 4445 O SHEL -10.8981353955 7.7937180520 -15.6011086850 4446 FE CORE -13.0552740765 -1.0569559716 11.6330525606 4447 FE CORE -13.0552740765 4.7984853138 11.6330525612 4448 FE CORE -13.0552740765 -6.9123972569 11.6330525601 4449 FE CORE -13.0552740765 10.6539265991 11.6330525617 4450 LI CORE 5.0646171858 -19.6329098956 -0.5724505884 4451 LI CORE -5.0646172175 -19.6329098956 -0.5724506602 4452 MN CORE -2.3810083997 19.5487699833 -5.1563668477 4453 P CORE -6.1563591951 -18.5872670627 -3.2652120184 4454 O CORE -6.9312045863 -17.3045767052 -3.8746595422 4455 O SHEL -6.9380808447 -17.2954667542 -3.8615724378 4456 O CORE -4.6654660803 -18.4814996746 -3.8515383266 4457 O SHEL -4.6704698297 -18.4702507502 -3.8392398152 4458 O CORE -6.2318129269 -18.7134246661 -1.6687207422 4459 O SHEL -6.2479253138 -18.7251112785 -1.6740174901 4460 O CORE -6.9595399546 -19.8187567800 -3.9278058110 4461 O SHEL -6.9770479452 -19.8322014458 -3.9017443895 4462 MN CORE 22.9420775594 1.8064091185 1.7839163730 4463 P CORE 14.1021095773 10.6652397376 1.5494590560 4464 O CORE 13.3272641861 9.3825493803 0.9400115319 4465 O SHEL 13.3203879278 9.3734394292 0.9530986363 4466 O CORE 14.0266558456 10.7913973407 3.1459503322 4467 O SHEL 14.0105434586 10.8030839531 3.1406535843 4468 O CORE 13.2989288178 11.8967294550 0.8868652637 4469 O SHEL 13.2814208273 11.9101741208 0.9129266851 4470 O CORE 15.5930026922 10.5594723496 0.9631327478 4471 O SHEL 15.5879989428 10.5482234252 0.9754312592 4472 P CORE 14.1021096456 10.6652397385 -8.0798828001 4473 O CORE 13.3272642544 9.3825493812 -8.6893303242 4474 O SHEL 13.3203879961 9.3734394301 -8.6762432198 4475 O CORE 14.0266559139 10.7913973416 -6.4833915239 4476 O SHEL 14.0105435269 10.8030839540 -6.4886882718 4477 O CORE 13.2989288861 11.8967294559 -8.7424765924 4478 O SHEL 13.2814208956 11.9101741217 -8.7164151710 4479 O CORE 15.5930027605 10.5594723505 -8.6662091083 4480 O SHEL 15.5879990111 10.5482234261 -8.6539105969 4481 P CORE -6.1563592293 -18.6119666891 1.5494589096 4482 O CORE -6.9595399888 -17.3804769717 0.8868651173 4483 O SHEL -6.9770479793 -17.3670323059 0.9129265388 4484 O CORE -4.6654661144 -18.7177340772 0.9631326015 4485 O SHEL -4.6704698638 -18.7289830016 0.9754311129 4486 O CORE -6.2318129610 -18.4858090860 3.1459501859 4487 O SHEL -6.2479253480 -18.4741224736 3.1406534380 4488 O CORE -6.9312046205 -19.8946570465 0.9400113856 4489 O SHEL -6.9380808788 -19.9037669975 0.9530984900 4490 P CORE 3.9728750374 -1.0456428349 20.8081426953 4491 O CORE 3.1696942779 0.1858468825 20.1455489030 4492 O SHEL 3.1521862874 0.1992915483 20.1716103244 4493 O CORE 3.1980296462 -2.3283331922 20.1986951712 4494 O SHEL 3.1911533879 -2.3374431433 20.2117822756 4495 O CORE 5.4637681523 -1.1514102229 20.2218163871 4496 O SHEL 5.4587644029 -1.1626591473 20.2341148985 4497 O CORE 3.8974213057 -0.9194852318 22.4046339715 4498 O SHEL 3.8813089187 -0.9077986194 22.3993372236 4499 P CORE 14.1021095432 10.6899393631 6.3641299840 4500 O CORE 13.2989287837 9.4584496459 5.7015361915 4501 O SHEL 13.2814207931 9.4450049801 5.7275976130 4502 O CORE 13.3272641520 11.9726297206 5.7546824602 4503 O SHEL 13.3203878936 11.9817396717 5.7677695646 4504 O CORE 14.0266558114 10.5637817597 7.9606212603 4505 O SHEL 14.0105434245 10.5520951473 7.9553245124 4506 O CORE 15.5930026580 10.7957067513 5.7778036759 4507 O SHEL 15.5879989086 10.8069556757 5.7901021873 4508 P CORE 14.1021096115 10.6899393640 -3.2652118721 4509 O CORE 13.2989288520 9.4584496468 -3.9278056646 4510 O SHEL 13.2814208614 9.4450049810 -3.9017442431 4511 O CORE 14.0266558797 10.5637817606 -1.6687205958 4512 O SHEL 14.0105434928 10.5520951482 -1.6740173437 4513 O CORE 13.3272642203 11.9726297215 -3.8746593959 4514 O SHEL 13.3203879619 11.9817396726 -3.8615722915 4515 O CORE 15.5930027263 10.7957067522 -3.8515381802 4516 O SHEL 15.5879989769 10.8069556766 -3.8392396688 4517 LI CORE 15.1938515891 9.6442965311 -0.5724505139 4518 LI CORE -15.1938516208 9.6442965311 -0.5724507293 4519 LI CORE 15.1938515208 9.6442965302 9.0568913422 4520 LI CORE -15.1938516891 9.6442965302 9.0568911268 4521 LI CORE 5.0646173224 -2.0665860378 -19.8311342990 4522 LI CORE -5.0646170809 -2.0665860378 -19.8311343708 4523 LI CORE 5.0646173224 3.7888552476 -19.8311342984 4524 LI CORE -5.0646170809 3.7888552476 -19.8311343702 4525 MN CORE -7.4456255139 1.8064091203 -17.4747675546 4526 MN CORE -7.4456255139 -4.0490321650 -17.4747675552 4527 MN CORE 2.6836086845 13.5172916883 11.4132580866 4528 MN CORE -7.4456257188 13.5172916883 11.4132580148 4529 P CORE 3.9728751399 -18.5872670636 6.3641299095 4530 O CORE 3.1980297487 -17.3045767061 5.7546823857 4531 O SHEL 3.1911534903 -17.2954667551 5.7677694901 4532 O CORE 5.4637682547 -18.4814996755 5.7778036013 4533 O SHEL 5.4587645053 -18.4702507511 5.7901021127 4534 O CORE 3.8974214081 -18.7134246670 7.9606211857 4535 O SHEL 3.8813090212 -18.7251112794 7.9553244378 4536 O CORE 3.1696943804 -19.8187567809 5.7015361169 4537 O SHEL 3.1521863898 -19.8322014467 5.7275975384 4538 P CORE -6.1563592634 -18.5872670636 6.3641298377 4539 O CORE -6.9312046546 -17.3045767061 5.7546823139 4540 O SHEL -6.9380809130 -17.2954667551 5.7677694183 4541 O CORE -4.6654661486 -18.4814996755 5.7778035295 4542 O SHEL -4.6704698980 -18.4702507511 5.7901020409 4543 O CORE -6.2318129952 -18.7134246670 7.9606211139 4544 O SHEL -6.2479253821 -18.7251112794 7.9553243660 4545 O CORE -6.9595400229 -19.8187567809 5.7015360451 4546 O SHEL -6.9770480135 -19.8322014467 5.7275974666 4547 FE CORE 17.3324292700 -1.0569559698 -7.6256309362 4548 FE CORE 17.3324292700 4.7984853156 -7.6256309356 4549 FE CORE 17.3324292700 -6.9123972551 -7.6256309367 4550 P CORE -9.3016844502 -15.6611992531 3.8983714432 4551 O CORE -8.6064214769 -14.4057162229 3.1087700645 4552 O SHEL -8.6030896189 -14.4239898107 3.1071599526 4553 O CORE -8.9130612409 -15.6882003604 5.4391439583 4554 O SHEL -8.8618916771 -15.6884298241 5.4484523680 4555 O CORE -8.4366990913 -16.8148644563 3.1420383938 4556 O SHEL -8.4124564250 -16.7813459546 3.1341803933 4557 O CORE -10.8661824280 -15.6359059423 3.6182265930 4558 O SHEL -10.8981355321 -15.6280470912 3.6575750250 4559 P CORE -9.3016843819 -15.6611992522 -5.7309704129 4560 O CORE -8.6064214086 -14.4057162220 -6.5205717916 4561 O SHEL -8.6030895506 -14.4239898098 -6.5221819035 4562 O CORE -8.9130611726 -15.6882003595 -4.1901978978 4563 O SHEL -8.8618916088 -15.6884298232 -4.1808894881 4564 O CORE -8.4366990230 -16.8148644554 -6.4873034623 4565 O SHEL -8.4124563567 -16.7813459537 -6.4951614628 4566 O CORE -10.8661823597 -15.6359059414 -6.0111152631 4567 O SHEL -10.8981354638 -15.6280470903 -5.9717668311 4568 MN CORE 2.6836089235 1.9824461289 -22.2894384109 4569 P CORE -9.3016844160 -15.6825932138 -0.9162994849 4570 O CORE -8.4366990572 -14.5289280105 -1.6726325340 4571 O SHEL -8.4124563909 -14.5624465122 -1.6804905345 4572 O CORE -8.9130612067 -15.6555921068 0.6244730303 4573 O SHEL -8.8618916430 -15.6553626432 0.6337814399 4574 O CORE -10.8661823938 -15.7078865246 -1.1964443351 4575 O SHEL -10.8981354980 -15.7157453757 -1.1570959031 4576 O CORE -8.6064214428 -16.9380762439 -1.7059008638 4577 O SHEL -8.6030895847 -16.9198026561 -1.7075109757 4578 P CORE -9.3016844843 -15.6825932147 8.7130423712 4579 O CORE -8.4366991255 -14.5289280114 7.9567093221 4580 O SHEL -8.4124564592 -14.5624465131 7.9488513216 4581 O CORE -8.9130612750 -15.6555921077 10.2538148864 4582 O SHEL -8.8618917113 -15.6553626441 10.2631232960 4583 O CORE -8.6064215111 -16.9380762448 7.9234409923 4584 O SHEL -8.6030896530 -16.9198026570 7.9218308804 4585 O CORE -10.8661824621 -15.7078865255 8.4328975210 4586 O SHEL -10.8981355663 -15.7157453766 8.4722459530 4587 P CORE 21.0860187597 1.9051246029 3.8983716602 4588 O CORE 19.5215207819 1.9304179138 3.6182268100 4589 O SHEL 19.4895676778 1.9382767649 3.6575752420 4590 O CORE 21.4746419690 1.8781234956 5.4391441754 4591 O SHEL 21.5258115328 1.8778940320 5.4484525850 4592 O CORE 21.9510041186 0.7514593998 3.1420386109 4593 O SHEL 21.9752467849 0.7849779014 3.1341806104 4594 O CORE 21.7812817330 3.1606076332 3.1087702815 4595 O SHEL 21.7846135910 3.1423340454 3.1071601696 4596 FE CORE -18.1198912258 -6.8650713551 4.2531803074 4597 FE CORE -18.1198911575 -6.8650713542 -5.3761615487 4598 FE CORE 12.2678119841 -12.7205126405 4.2531805222 4599 FE CORE 12.2678120524 -12.7205126396 -5.3761613339 4600 FE CORE -2.9260394342 -1.0096300673 -22.0696438639 4601 ends @include poten.txt nano print dlpoly 1 pov 1 coord p core o core 1.8 coord p core o shel 1.8 polycut -1. start stop minimise conj 0 bfgs 20 newt 600 maxu 20 nokill start stop