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3.69770000 1 C -1.32429000 0.76298800 1.19019000 6 H 0.40209000 1.69633000 1.98740000 1 H -0.91605200 0.99439900 3.12143000 1 C -0.91629600 1.38426000 -0.04656380 6 H -2.29973000 1.29099000 1.50624000 1 H -1.64647000 -0.24110500 1.17726000 1 C -1.39031000 1.03881000 -1.43745000 6 H 0.16194300 1.43699000 -0.09382150 1 H -1.22363000 2.42869000 -0.03159280 1 C -2.03159000 -0.36385400 -1.67592000 6 H -0.51975100 1.03436000 -1.91445000 1 H -2.17910000 1.75876000 -1.73635000 1 C -1.19489000 -1.80407000 -1.11602000 6 H -2.13513000 -0.14073300 -2.90712000 1 H -3.08913000 -0.28520700 -1.33940000 1 C 0.14306300 -2.24690000 -1.95715000 6 H 0.40117400 -1.26658000 -2.46285000 1 H 0.02014880 -2.93733000 -2.77450000 1 H 0.96706100 -2.75175000 -1.33896000 1 H -1.73178000 -2.80628000 -1.01424000 1 H -0.89118100 -1.62558000 -0.06837480 1 26 cutoff=-1.00000000 nneightol=1.20000000 pbc="T T T" Lattice="15.12311000 0.00000000 0.00000000 0.00000000 15.18262000 0.00000000 0.00000000 0.00000000 15.58462000" 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0.95022500 0.76291400 -1.50217000 1 H 0.71531900 1.81462000 -0.22059300 1 C -1.86561000 0.08031630 -1.83020000 6 H -1.36902000 1.95168000 -1.31623000 1 H -1.75420000 1.07440000 0.15878900 1 C -2.42711000 0.85157100 -3.14170000 6 H -3.30567000 1.58763000 -3.03401000 1 H -2.66194000 0.13818600 -3.81299000 1 H -1.64562000 1.58644000 -3.47341000 1 H -2.75434000 -0.48861000 -1.41872000 1 H -1.19948000 -0.72915900 -2.27600000 1 26 cutoff=-1.00000000 nneightol=1.20000000 pbc="T T T" Lattice="18.99274000 0.00000000 0.00000000 0.00000000 14.04856000 0.00000000 0.00000000 0.00000000 14.72323000" Properties=species:S:1:pos:R:3:Z:I:1 C 2.14904000 0.99590300 -2.09617000 6 C 2.09417000 0.32616100 -0.79054000 6 H 1.18898000 1.10809000 -2.71033000 1 H 2.75215000 0.13255700 -2.68674000 1 H 2.68730000 1.95990000 -2.16288000 1 C 1.31036000 0.70475600 0.57160100 6 H 3.16284000 0.21407000 -0.51816400 1 H 1.54062000 -0.56870800 -1.16669000 1 C 0.36225400 -0.53039800 1.01398000 6 H 0.84131100 1.56453000 0.53882300 1 H 2.04805000 0.73468600 1.27880000 1 C -0.95624000 -0.90817300 0.14828000 6 H -0.01383890 -0.11413700 2.01290000 1 H 0.99047300 -1.52159000 1.04598000 1 C -2.44936000 -0.69565100 0.87171700 6 H -0.73710400 -2.08866000 -0.32514000 1 H -0.94868200 -0.41736600 -0.66746500 1 C -3.59998000 -0.73993400 -0.05458730 6 H -2.48689000 0.39067700 0.97970500 1 H -2.37341000 -1.35058000 1.76909000 1 C -4.98946000 -0.00053871 0.46401700 6 H -5.17265000 0.99231100 0.05734440 1 H -4.93724000 0.13253400 1.57027000 1 H -5.82990000 -0.65708800 0.31107600 1 H -3.88080000 -1.78100000 -0.51013100 1 H -3.47444000 -0.21535700 -1.10763000 1 26 cutoff=-1.00000000 nneightol=1.20000000 pbc="T T T" Lattice="17.11421000 0.00000000 0.00000000 0.00000000 13.86363000 0.00000000 0.00000000 0.00000000 16.78116000" Properties=species:S:1:pos:R:3:Z:I:1 C -2.99679000 0.62981400 2.71043000 6 C -2.94676000 -0.83210100 2.47538000 6 H -2.01371000 1.10524000 2.59756000 1 H -3.64848000 0.80537000 3.54628000 1 H 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0.00000000 14.92112000" Properties=species:S:1:pos:R:3:Z:I:1 C 2.30791000 -1.92179000 1.54470000 6 C 1.38488000 -0.80223700 0.99947800 6 H 1.59749000 -2.61732000 2.09441000 1 H 2.96922000 -1.70586000 2.38694000 1 H 2.86290000 -2.33511000 0.64630100 1 C 0.62277800 -1.40665000 -0.30528700 6 H 2.01472000 -0.02622350 0.61160700 1 H 0.81728000 -0.14474000 1.90752000 1 C -0.80795300 -1.14934000 -0.64899900 6 H 0.64405000 -2.57437000 -0.24752800 1 H 1.30442000 -1.46525000 -1.26840000 1 C -1.43771000 -0.18772600 -1.77126000 6 H -1.41071000 -1.04292000 0.23120100 1 H -1.17451000 -2.14423000 -1.05066000 1 C -1.98233000 1.18350000 -1.15818000 6 H -2.23340000 -0.58813800 -2.36323000 1 H -0.78885200 0.26010700 -2.53418000 1 C -2.91734000 1.04253000 0.17559800 6 H -2.56532000 1.80934000 -1.88907000 1 H -0.87397800 1.43011000 -0.86419700 1 C -3.33031000 2.44261000 0.91858900 6 H -3.44352000 3.47689000 0.54062000 1 H -2.68102000 2.46671000 1.83406000 1 H -4.36852000 2.29236000 1.39530000 1 H 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