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0.8489 0.7421 0.6657 0.8568 0.6991 0.4122 0.7246 0.7617 0.6031 0.2622 0.4997 0.3556 0.1280 0.5731 0.5225 0.8557 0.8570 0.5674 0.8533 0.7949 0.7899 0.8569 0.8050 0.6781 0.6007 0.6789 0.8328 0.6774 0.5882 0.8500 0.7169 0.5789 0.8127 0.8508 0.8217 0.4405 0.7116 0.8569 0.8032 0.8472 0.8360 0.7613 0.8020 0.8427 0.8409 0.8276 0.7824 0.8014 0.5407 0.5665 0.8422 0.8443 0.8496 0.8571 0.7641 0.4233 0.6125 0.3157 0.6114 0.3427 0.6033 0.6604 0.5544 0.1569 0.8107 0.8538 0.8352 0.2416 0.7734 0.2589 0.8536 0.4651 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 6 6 6 7 6 6 6 6 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 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 1354.57376 1902.23661 2450.79428 0.99938 0.02966 0.01913 -0.02997 0.99942 0.01620 -0.01864 -0.01677 0.99969 1 0.06394 0.04553 0.03534 1.33233 0.94875 0.73639 106.69 200.42 245.17 275.12 351.02 370.39 374.37 461.81 498.88 563.98 591.64 659.61 682.39 840.74 917.72 991.20 1038.54 1151.49 1178.86 1256.95 1312.00 1349.02 1364.51 1421.95 1450.40 1473.93 1503.73 1510.60 1534.71 1570.16 1616.33 1649.95 1691.85 1707.42 1753.31 1775.65 1802.69 1809.38 1846.31 1870.76 1944.84 1966.99 1989.36 2018.94 2023.94 2080.14 2093.48 2110.86 2162.91 2164.71 2183.35 2219.79 2248.32 2262.80 2303.82 2320.73 2364.06 2367.33 2375.03 2380.43 2412.85 2734.15 4476.47 4496.24 4610.52 4612.17 4627.22 4653.50 4661.08 4664.21 4687.73 4723.83 4743.24 4792.07 4812.65 4833.00 4907.06 5418.86 0.267945 0.278098 0.279043 0.232704 -496.546243 -496.536089 -496.535145 -496.581483 1.554184D-04 MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1CN(C)C2C1C1NC1C2=C RHF 6-31G(d) (6D,10F) C1 164.131349 |X|Y|Z| 30.271891 24.936512 17.625525 23.695858 9 6 7 7 2 |36.858105| |12.434563|36.858105| |7.504365|12.443021|36.858105| 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