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0.03884 0.03129 1.43816 0.80930 0.65208 107.73 152.09 214.31 316.45 377.63 380.67 388.14 421.42 496.28 579.12 626.31 664.83 732.70 807.68 829.01 930.53 1053.56 1105.30 1184.09 1203.55 1257.96 1285.44 1362.93 1396.36 1427.47 1453.62 1501.04 1526.57 1530.85 1592.43 1644.28 1651.92 1693.89 1718.16 1769.37 1783.39 1786.29 1804.63 1842.37 1880.87 1900.54 1926.76 1940.96 1994.85 2084.62 2086.47 2102.15 2130.54 2165.16 2172.73 2213.60 2244.00 2247.25 2295.84 2343.68 2350.92 2361.29 2367.23 2369.27 2377.87 2634.60 2731.26 4520.18 4575.52 4590.52 4598.87 4613.01 4635.08 4647.43 4668.38 4674.59 4686.44 4701.68 4799.68 4818.09 5363.94 5385.05 5483.35 0.269630 0.279859 0.280804 0.234130 -496.563220 -496.552990 -496.552046 -496.598720 1.565454D-04 MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1CNCC2=C1C1C(N)C1C2 RHF 6-31G(d) (6D,10F) C1 164.131349 |X|Y|Z| 24.405229 33.550208 16.653033 23.890422 10 6 7 9 1 |36.858105| |12.430747|36.858105| |7.542077|12.382224|36.858105| 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