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3.8963 5.7601 1.3186 6.3676 18.0377 0.9010 4.7273 2.9794 0.0551 4.6450 10.1509 12.5812 0.1041 23.5902 1.7099 3.6207 3.1622 6.4031 47.9779 8.0956 1.8472 3.8305 4.2108 0.4099 20.3061 27.3989 42.2695 75.9905 19.1623 29.4219 24.5336 46.4616 26.5630 40.7602 26.7500 23.8055 22.4156 1.3541 0.9582 4.8177 1.0062 5.2980 0.9516 1.5630 1.9814 1.9786 2.2828 2.1503 1.9037 12.7072 4.7137 2.2114 7.1183 6.0367 7.5819 5.9773 3.0294 6.3835 2.6296 7.4259 10.6132 4.9059 4.8583 6.9542 7.6057 2.3902 1.2252 7.0501 0.9053 1.8102 4.1133 5.9430 7.0110 4.5075 7.4350 3.3101 13.4005 4.2053 8.4777 3.7396 8.4784 6.5129 18.8292 12.8069 10.6022 5.7169 8.1875 49.6859 12.1911 64.8587 9.9530 234.2192 71.0025 84.3486 111.4253 95.0572 129.8351 144.0131 133.5007 102.0859 0.7496 0.6610 0.6352 0.6375 0.2668 0.6718 0.7406 0.5013 0.7305 0.3366 0.5473 0.5068 0.1087 0.4258 0.7251 0.7195 0.6947 0.7499 0.6331 0.7351 0.2542 0.5369 0.7302 0.0676 0.6898 0.7294 0.2808 0.4964 0.4092 0.4226 0.0503 0.7499 0.7260 0.6796 0.5567 0.7497 0.6649 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0.01716 0.99962 -0.02143 0.00767 0.02130 0.99974 1 0.11208 0.03793 0.03250 2.33541 0.79033 0.67727 163.60 195.52 333.95 514.64 565.16 576.29 602.10 661.96 721.82 801.70 902.63 936.94 1061.45 1121.17 1159.18 1229.70 1294.78 1325.29 1341.33 1401.02 1426.61 1456.60 1477.30 1523.62 1566.67 1617.76 1652.66 1680.52 1689.23 1714.02 1725.96 1779.77 1791.38 1848.22 1868.43 1937.20 1942.76 1998.24 2012.94 2027.07 2037.66 2076.50 2118.45 2141.26 2187.35 2236.34 2355.64 2375.24 2376.66 2417.29 2685.40 2785.96 4638.81 4652.59 4664.55 4694.01 4730.56 4734.12 4757.29 4764.01 4779.24 4818.27 4886.39 0.208314 0.216178 0.217122 0.175272 -510.195679 -510.187815 -510.186871 -510.228721 1.403656D-04 MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2C=C3CN4CC(C4)C3=NN12 RHF 6-31G(d) (6D,10F) C1 161.095297 |X|Y|Z| 19.640153 34.804287 13.386525 20.916153 12 6 7 9 3 |36.858105| |12.875397|36.858105| |7.386423|12.847209|36.858105| |5.996361|7.854323|14.434126|36.858105| |4.109684|4.903245|7.501710|12.464519|36.858105| |3.507600|3.892322|5.079382|7.649429|13.057613|53.358707| |3.797202|3.891739|4.713115|6.845326|7.924932|17.461866|36.858105| |4.298163|4.484316|5.125902|7.599268|6.870310|12.193568|12.342181|36.858105| |3.488420|3.895415|4.714219|6.828754|7.923073|17.457841|9.279512|12.339098|36.858105| |6.275320|6.929946|7.915326|12.783284|7.430662|9.406736|7.743225|12.680395|7.750993|36.858105| |7.858054|7.688097|6.695227|7.778386|5.066855|6.481392|5.388510|7.949838|5.426420|15.154173|53.358707| |13.212174|13.028134|7.558786|6.750353|4.392725|5.225525|4.078883|5.148709|4.113935|8.274761|18.415902|53.358707| |17.700927|8.696914|6.920406|6.200579|4.368179|5.129475|4.279066|4.598095|3.604095|6.504076|10.044352|12.018776|0.500000| |17.714099|8.548089|5.425588|4.499823|3.345588|3.985781|3.149313|3.510010|2.933262|4.698012|7.918459|12.154088|0.291025|0.500000| 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