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0.02510 1.96559 0.60798 0.52296 101.17 161.41 207.71 242.45 314.84 364.88 405.54 445.71 480.71 521.09 576.68 659.61 751.42 823.64 933.34 1039.71 1131.30 1154.04 1235.31 1250.99 1282.36 1298.85 1354.10 1387.98 1447.61 1453.78 1468.67 1487.80 1524.54 1555.38 1569.83 1606.56 1626.35 1649.42 1702.72 1706.78 1738.21 1756.60 1772.15 1793.24 1824.50 1922.70 1959.65 2009.25 2029.64 2040.90 2072.31 2087.49 2102.16 2126.43 2175.37 2184.24 2242.81 2251.42 2254.97 2339.25 2357.55 2361.62 2370.43 2371.12 2635.10 2741.96 4570.85 4592.38 4599.84 4635.25 4658.30 4658.81 4678.18 4682.21 4700.34 4705.11 4741.64 4795.14 4820.20 4833.63 4847.83 4885.41 0.265775 0.276133 0.277077 0.229946 -463.395752 -463.385395 -463.384451 -463.431582 1.580781D-04 MUNgauss RevisionA2.1 retrievium 04-Apr-2022 GDB_13 Smiles: CC=CC12CC(C)C3C=CC1C23 RHF 6-31G(d) (6D,10F) C1 160.125201 |X|Y|Z| 40.819063 21.717509 14.108416 23.212243 8 6 8 |36.858105| |12.674578|36.858105| |7.604639|14.428365|36.858105| 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