272 Lattice="49.143759465200006 0.0 0.0 0.0 15.5140830271 0.0 0.0 0.0 12.5655853807" Properties=species:S:1:pos:R:3 pbc="F F F" C 9.91002303 6.56155791 5.35296456 C 9.10251810 5.48337464 5.69750741 C 7.67663946 5.61393544 5.78863767 C 7.07310408 6.81208540 5.42132146 C 7.87969843 7.90249659 4.98111570 C 9.29117844 7.79946714 5.01252445 N 10.04928950 8.89039416 4.75482388 C 9.47460954 10.00384167 4.35693710 C 8.05132723 10.02414209 4.08352733 N 7.30025271 9.01333280 4.47084834 C 7.36242970 11.10101043 3.32885635 C 7.97258314 11.75641422 2.26074794 C 7.25790308 12.69665340 1.52500712 C 5.94135223 13.02430650 1.82494208 C 5.33005086 12.35228773 2.90118322 C 6.02730078 11.40010219 3.63390095 H 7.73952811 13.19016167 0.68857505 C 10.35740085 11.19629007 4.26774384 C 11.65376291 11.05282750 3.76675246 C 12.52436864 12.13821610 3.71185917 C 12.08334503 13.37158608 4.19601977 C 10.80197148 13.53941201 4.72149228 C 9.94411455 12.44145514 4.74595421 H 12.75874572 14.22095732 4.17071026 C 5.61025990 6.96540579 5.42144900 C 4.67804602 6.30692732 4.64639771 C 3.40537515 6.82056825 4.93129271 C 3.58263627 7.79837448 5.90989948 C 2.35725383 8.41158451 6.33477575 C 1.29218153 7.87741915 5.66698520 S 1.72690571 6.62168158 4.50711342 F 4.96316905 5.34350921 3.75249653 C 11.38408044 6.47348135 5.32302710 C 12.24615691 6.51914445 6.37737241 C 13.59733113 6.39752763 5.95451623 C 13.75752247 6.26901587 4.57454528 S 12.21529264 6.29097669 3.76108330 C 15.13537739 6.16881209 4.34130850 C 15.79930548 6.22424986 5.55702002 F 15.72804619 5.99218134 3.15299344 H 11.91430633 6.62342584 7.40028081 H 8.99281187 11.52883049 1.98664838 H 5.55067765 10.85506153 4.43385068 H 11.97761061 10.07704493 3.42723023 H 8.94706459 12.55719150 5.15324970 C 5.17397320 14.04656374 1.03558566 H 4.83497583 14.86661355 1.67349547 H 5.79060092 14.46059593 0.23766288 H 4.27702615 13.60948534 0.59008157 S 9.90574230 3.91771760 6.10812056 C 9.36447032 2.85366283 4.71008441 H 8.28977060 2.68701700 4.71281575 H 9.87477336 1.90190111 4.85389413 H 9.67984901 3.28955986 3.76433412 C 10.34171827 14.88361830 5.22795607 H 9.77305923 15.41715729 4.46045978 H 9.69207940 14.78000718 6.09907426 H 11.18663775 15.51408303 5.50875066 S 2.30066671 9.71121546 7.55540141 C 0.50494979 9.99279516 7.71905078 H 0.39625020 10.76916916 8.47439385 H 0.00000000 9.08892095 8.05668554 H 0.07431776 10.34241264 6.78181151 C 6.83154302 4.47246047 6.29129176 H 7.40661617 3.82923214 6.95458774 H 5.95648375 4.84873911 6.81941146 H 6.45987510 3.85939000 5.46608290 C 13.90542976 11.98771876 3.12493507 H 14.28535637 10.97400865 3.25896883 H 13.89883589 12.19457270 2.05042022 H 14.61100896 12.68129023 3.58575730 O 4.03370051 12.70314751 3.14937637 C 3.33625011 12.04300910 4.19890696 H 2.33491647 12.46767711 4.20156082 H 3.80637668 12.22429379 5.16963773 H 3.27237802 10.96570736 4.02413550 N 4.92039868 7.88451097 6.21252275 C 5.52652847 8.75561055 7.20615978 H 5.66895881 9.76575982 6.81856495 H 6.49675025 8.35147126 7.48563358 H 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10.18566678 C 20.38336483 4.34739428 9.23009284 H 20.25712044 3.56481281 11.21973577 H 21.55547424 0.82659153 8.19628520 S 23.35146267 5.36324944 6.79752710 C 24.01441722 6.62628470 5.73681638 C 23.00429765 7.30459543 5.09663017 H 21.40593520 7.30882482 2.32452687 H 19.04560595 9.62840182 5.06629689 H 21.35801477 2.59864644 6.50499204 H 20.05724875 5.33767937 9.52564039 C 17.41446940 4.14988242 7.41786192 H 17.49656148 4.33529238 8.49173065 H 16.36515119 3.97299387 7.18040361 H 17.96555698 3.23012975 7.21591867 C 18.45455053 11.70753600 3.38401374 H 19.04056050 12.61605238 3.22733490 H 17.59487419 11.76222658 2.71239372 H 18.08692521 11.70768919 4.40966144 C 21.07971517 0.98233588 10.87908853 H 20.44202136 1.16852419 11.74456594 H 20.82666823 0.00000000 10.47624879 H 22.11230764 0.93055703 11.23762144 O 23.26899889 8.30574794 4.20139596 C 23.30936896 9.63099380 4.75248630 H 22.34401746 9.89824121 5.18796260 H 23.53205863 10.29868331 3.92321452 H 24.09491596 9.71038914 5.50782868 C 34.12841979 7.24797820 4.50396713 C 33.37529014 6.45858144 3.64642630 C 31.96194410 6.29483065 3.82463243 C 31.31028994 6.98855697 4.84148054 C 32.06603703 7.80927917 5.73213996 C 33.46820625 7.92816998 5.56973683 N 34.19245716 8.68879789 6.42171394 C 33.58217198 9.35675437 7.37661198 C 32.14265254 9.30469114 7.48784786 N 31.43681257 8.52089701 6.70034242 C 31.37312888 10.13745088 8.45271885 C 31.50404187 11.52206638 8.47361018 C 30.72837096 12.27661093 9.34911885 C 29.83551673 11.68858113 10.23711070 C 29.72315096 10.28638913 10.21750001 C 30.46891742 9.52318506 9.32541162 H 30.82447355 13.35633956 9.34605981 C 34.46385467 10.12266405 8.29860186 C 35.55924782 10.80630318 7.76635763 C 36.44178733 11.50224265 8.58988513 C 36.22286380 11.48074427 9.96756279 C 35.14803088 10.79047355 10.53033399 C 34.27027856 10.11905006 9.68260674 H 36.91171448 12.00780477 10.62023629 C 29.84156120 6.96801203 4.93051852 C 28.95000950 7.41676692 3.97543497 C 27.64790778 7.22529219 4.44499443 C 27.75973260 6.65904952 5.71573768 C 26.50289714 6.43020591 6.34985312 C 25.43726141 6.79564530 5.53697194 S 25.99615476 7.50095752 3.98835889 F 29.29659493 7.95168730 2.79039663 C 35.58741041 7.42626051 4.34611986 C 36.58757098 6.67019904 4.87730776 C 37.86905182 7.16017418 4.50310941 C 37.83583503 8.29950367 3.69907640 S 36.19320953 8.79075077 3.37871784 C 39.16951667 8.64597905 3.44419922 C 39.99667615 7.72857666 4.07156869 F 39.59399792 9.66161908 2.67998033 H 36.40199402 5.80354439 5.49520993 H 32.19672559 12.01507806 7.80441742 H 30.36510156 8.44885457 9.29310673 H 35.72282961 10.77825074 6.69637210 H 33.43695479 9.57540081 10.10912052 C 29.01089418 12.50205922 11.19513315 H 29.21389045 12.21980495 12.23108187 H 29.22177082 13.56525337 11.07887000 H 27.94214385 12.34195578 11.03318986 S 34.24567449 5.57211100 2.33392108 C 33.65335478 6.45705302 0.83570622 H 32.58307807 6.33642405 0.68490046 H 34.18587351 6.00441088 0.00000000 H 33.91360066 7.51183179 0.89676208 C 34.92528266 10.79471015 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