180 Lattice="37.07633838540001 0.0 0.0 0.0 14.0023194337 0.0 0.0 0.0 13.0286310609" Properties=species:S:1:pos:R:3 pbc="F F F" C 29.03726991 4.27574809 6.74946674 C 29.32141041 3.02202704 7.28333258 C 30.59867933 2.75741696 7.87802296 C 31.53945046 3.74921526 8.09578865 C 31.21333349 5.06698182 7.65432250 C 30.00189574 5.31732729 6.95384156 N 29.80079803 6.52818231 6.39514305 C 30.67829788 7.49572692 6.56496772 C 31.81752385 7.28736558 7.41832426 N 32.07174166 6.08240259 7.88952983 C 32.74646903 8.36119635 7.85805799 C 32.28147895 9.61498460 8.26395364 C 33.16884659 10.57195151 8.73841593 C 34.51615752 10.26556007 8.78947780 C 35.03329502 9.03214897 8.40368778 C 34.11625652 8.08847487 7.94651958 F 35.37628362 11.21104644 9.24430923 H 32.83007997 11.54511491 9.06854979 C 30.41181591 8.74079997 5.79862385 C 29.09449060 9.18018509 5.65081879 C 28.78556366 10.30413476 4.89932234 C 29.80056847 11.02291611 4.23479860 C 31.10494416 10.54173201 4.37610614 C 31.42638401 9.44343320 5.14816747 F 32.10871705 11.15702773 3.69789745 C 32.85674992 3.43890241 8.67636729 C 33.82974362 2.58653501 8.18837125 C 34.92186018 2.61566165 9.08666960 C 34.58254471 3.47534138 10.10618979 H 35.84569569 2.06672383 9.00268095 H 33.74476402 2.00693281 7.28392445 C 27.85829265 4.54018652 5.91034759 C 27.48381690 3.86221112 4.78229974 C 26.31134718 4.35436899 4.14414485 C 25.77168269 5.43589158 4.80839278 S 26.72755511 5.83531055 6.23000732 H 28.05175401 3.02483052 4.39928366 H 31.22517961 9.84424030 8.22429322 H 34.46944534 7.10776744 7.65395017 H 28.28588405 8.63391489 6.11514646 H 32.46147567 9.13615259 5.19673019 O 27.46281744 10.63758853 4.75618537 C 27.05382460 11.90176790 5.29018856 H 25.97286418 11.94240798 5.17191838 H 27.51020327 12.73000522 4.74811798 H 27.30284539 11.96867497 6.35378419 C 25.78358502 3.76551480 2.86548450 H 26.60816230 3.48138767 2.20868390 H 25.19258805 2.86335932 3.05055881 H 25.15086089 4.47084987 2.32786351 O 30.85829158 1.44802305 8.17270595 C 30.90530035 1.07587397 9.55690711 H 29.95430097 1.30785108 10.04308225 H 31.72975906 1.57137916 10.07085843 H 31.06485755 0.00000000 9.56989957 S 28.21710053 1.60447901 7.30628597 C 26.56517608 2.32035243 7.65834300 H 26.09881472 2.75176084 6.77809698 H 26.63276804 3.06357292 8.44987727 H 25.97516543 1.47513966 8.01243382 C 36.50908878 8.75166925 8.48464731 H 36.72194161 7.72804384 8.17837521 H 37.07633839 9.42814682 7.84099605 H 36.88328487 8.89198547 9.50109445 O 29.42922178 12.06413278 3.44419826 C 30.27587791 13.21828787 3.33604529 H 29.64355535 14.00231943 2.92411821 H 31.11668807 13.03582987 2.66927341 H 30.64678621 13.52444578 4.31723162 N 33.32878748 3.97451961 9.86127786 C 32.64199729 4.91798885 10.72674694 H 32.76561600 5.93893185 10.36667921 H 33.04680662 4.82875878 11.73396643 H 31.57741843 4.68713606 10.76069502 C 19.46955165 9.54799681 3.36787061 C 18.57988324 8.50138599 3.27537179 S 19.43535169 6.95956107 3.47471634 C 20.95038932 7.78646688 3.69862998 C 20.80953133 9.16071763 3.60414280 Si 22.51872506 9.90041957 3.91355543 C 23.28184977 8.19051369 4.17246747 C 22.26521688 7.26788221 4.01015897 Se 22.88644642 5.50437524 4.20162247 C 24.62059524 6.25961984 4.49341475 C 24.55598105 7.62949395 4.43954979 H 23.07640741 10.64356312 2.75166226 H 22.58382852 10.78082082 5.11260149 H 19.13763181 10.57350354 3.27987044 H 25.44733325 8.23141854 4.57132032 C 10.92515583 7.02738198 4.08746634 C 11.51232978 6.59565534 2.90201063 C 12.82677457 7.04211484 2.53751517 C 13.62664679 7.77403734 3.39556538 C 13.07946603 8.12161476 4.66762240 C 11.73796921 7.78613441 4.99420584 N 11.19668365 8.26384558 6.13330771 C 11.92597476 8.97233896 6.97107313 C 13.32656338 9.17418124 6.71117472 N 13.84266742 8.78609685 5.56129111 C 14.28128202 9.77899607 7.67621685 C 14.27279689 9.44126242 9.03207200 C 15.22293568 9.97435235 9.89319474 C 16.16443575 10.85142103 9.38744298 C 16.22262112 11.21801421 8.04597623 C 15.26608353 10.65439936 7.20498709 F 17.08085337 11.37629433 10.23894746 H 15.24301656 9.71764673 10.94414032 C 11.19266523 9.54469467 8.13032411 C 10.21269298 8.77803310 8.76382972 C 9.46418923 9.28454722 9.81616218 C 9.65492082 10.61028440 10.25717770 C 10.62001197 11.36321032 9.58287145 C 11.39382258 10.85716518 8.55792029 F 10.78988697 12.66753709 9.92302977 C 14.94554114 8.28194346 2.97398991 C 15.21489314 9.20910270 1.98554712 C 16.60746145 9.41046052 1.95575882 C 17.17524962 8.59721930 2.92548821 H 17.15883788 10.05383938 1.28964520 H 14.47435738 9.67468380 1.35635761 C 9.49747156 6.83669899 4.38608783 C 8.44349041 7.21627518 3.60017325 C 7.15745360 6.94940090 4.14540990 C 7.23230434 6.33976546 5.38136943 S 8.90906718 6.10067668 5.85805933 H 8.58508445 7.69966201 2.64267587 H 13.53469897 8.75160453 9.41869652 H 15.28502597 10.89387446 6.14931430 H 10.01305121 7.76967497 8.43038612 H 12.11492907 11.51076316 8.08773862 O 8.48419065 8.48675795 10.34893585 C 8.62477356 8.12143931 11.72649221 H 7.82271779 7.41573152 11.93321464 H 8.52517285 8.98750654 12.38062728 H 9.58864665 7.63235000 11.89820755 C 5.88939331 7.34651188 3.44171144 H 6.03628828 8.27829438 2.89244851 H 5.57554318 6.59008747 2.71587234 H 5.06738294 7.49299693 4.14181501 O 13.21010592 6.74768989 1.26077016 C 14.30682054 5.84288056 1.07084780 H 14.11810166 4.90164295 1.59305530 H 15.24584024 6.28287101 1.40662171 H 14.35447898 5.65857030 0.00000000 S 10.78157227 5.49318763 1.68799683 C 9.83675980 4.27257176 2.67861732 H 8.87377424 4.65210712 3.00565814 H 10.42038724 3.94047694 3.53444597 H 9.69086410 3.43288471 1.99924539 C 17.27355332 12.17309772 7.54984855 H 17.18332735 12.31603623 6.47361380 H 17.18335390 13.14764699 8.03543977 H 18.27807813 11.80207567 7.76439550 O 8.83584675 11.08061302 11.23452958 C 9.34186561 12.01013952 12.20454394 H 8.63164291 11.98298828 13.02863106 H 9.39668947 13.01901905 11.79966355 H 10.32869598 11.70488099 12.56087726 N 16.14623659 7.90521318 3.54452306 C 16.30525420 6.94659673 4.62712407 H 16.89846062 7.37985446 5.43140456 H 16.79083342 6.03393983 4.27730959 H 15.32691717 6.69325265 5.01984733 C 1.66299397 3.86985467 10.03495695 C 0.92825060 3.23910387 9.07178741 S 1.66180687 3.37732971 7.49300406 C 2.97558635 4.30366678 8.16338879 C 2.83956735 4.48494960 9.52963197 Si 4.33256588 5.49334833 10.09183381 C 5.02810094 5.56231184 8.33451489 C 4.14442574 4.87517916 7.52519267 Se 4.69048768 4.88439958 5.72783911 C 6.18896311 5.92851721 6.29878085 C 6.13770988 6.12705062 7.65656204 H 3.98441934 6.82414084 10.65834869 H 5.20971746 4.78075231 11.06087350 H 1.36195788 3.88955427 11.07362096 H 6.89859027 6.71128413 8.16020168 H 35.12432632 3.76718116 10.99069290 H 0.00000000 2.70121702 9.17961064