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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1208.42607 2182.00042 2444.03445 0.99967 -0.02521 0.00531 0.02515 0.99963 0.01073 -0.00558 -0.01059 0.99993 1 0.07167 0.03969 0.03544 1.49346 0.82710 0.73843 135.46 201.81 297.15 304.04 372.59 393.44 422.95 446.78 489.32 541.56 584.32 610.30 737.28 751.89 856.02 906.41 1001.91 1043.06 1099.42 1148.66 1179.89 1248.19 1291.10 1328.07 1409.59 1453.27 1485.78 1504.94 1542.18 1576.69 1588.30 1613.08 1624.89 1668.11 1703.20 1730.82 1777.75 1807.78 1833.96 1849.24 1858.84 1875.20 1914.46 1967.94 1995.77 2061.56 2065.27 2089.44 2119.57 2122.81 2146.86 2179.40 2182.21 2201.67 2220.66 2234.89 2253.06 2263.36 2305.95 2362.04 2366.99 2375.10 2383.00 2392.55 2416.00 2648.89 4516.40 4563.41 4599.20 4602.17 4612.57 4639.55 4661.61 4665.30 4676.12 4677.41 4720.63 4723.23 4745.70 4759.74 4762.15 4830.00 5355.57 5468.17 0.294741 0.304986 0.305930 0.259806 -497.695848 -497.685603 -497.684659 -497.730783 1.547007D-04 MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1C2CC3C(C)C(N)CC3N12 RHF 6-31G(d) (6D,10F) C1 166.146999 |X|Y|Z| 22.412904 32.362624 18.732240 23.862203 9 6 7 8 1 |36.858105| |12.601319|36.858105| |7.183840|12.914675|36.858105| |6.043577|7.326284|12.465953|36.858105| |4.958849|5.852133|7.936500|12.332030|36.858105| |4.220135|4.360499|5.034524|7.136458|12.410105|36.858105| |3.575967|3.566587|4.141025|6.013998|7.338753|12.472094|36.858105| |4.883410|4.583968|4.632878|5.745739|7.756595|12.327212|7.305362|36.858105| |5.576610|4.605644|4.454633|5.571887|5.943350|7.648983|6.528697|13.036665|53.358707| |5.806312|5.825688|5.403895|5.712493|7.689571|7.784274|4.951834|12.300973|10.457167|36.858105| |5.769306|7.299725|8.013860|7.833739|12.345350|7.797137|4.950639|7.610790|7.642813|12.265519|36.858105| 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