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1.9311 2.1134 1.8560 1.6887 2.0456 2.0629 1.8209 2.1806 6.1595 6.2746 6.3124 6.7657 6.8746 6.8097 7.0613 6.8230 7.1965 7.2872 7.5569 7.6216 8.5580 9.0229 9.3361 0.3988 0.5873 2.3886 3.0373 4.3414 4.2172 6.2892 40.0089 3.2427 4.5724 1.5981 6.6019 6.1918 17.3304 10.9114 3.9904 9.4182 46.1555 24.2245 26.6593 17.3689 63.6361 21.0927 60.0306 18.9687 8.2864 14.6630 6.3678 2.2288 5.6054 1.1318 7.7303 25.1287 18.1067 2.3277 8.3906 2.6833 1.9389 3.5957 26.5518 2.5229 35.1829 2.7925 4.5962 14.7634 12.4570 35.3991 3.7648 5.8041 12.3951 0.5742 27.7094 10.3606 10.1572 4.2232 3.5532 8.0476 1.5393 3.5658 41.7713 69.6613 114.5273 33.9352 56.3890 43.1943 12.0830 26.3098 31.5214 38.6328 14.7807 10.7590 23.4694 0.2098 0.9848 0.1489 0.1124 0.4895 0.2042 1.1535 0.8505 0.7144 0.9664 1.4113 0.4565 1.1895 3.5961 1.0464 2.1414 3.2220 2.1476 14.5532 0.8955 6.8221 3.1043 4.0616 9.1356 10.6903 9.5314 2.9086 3.2527 13.9087 2.8981 7.0256 3.4747 3.2906 5.0713 1.3490 1.5781 2.9826 2.0298 4.6871 2.7656 2.2300 1.8861 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1340.78 1366.71 1389.46 1426.04 1471.74 1488.21 1502.13 1546.13 1567.31 1592.29 1620.37 1646.18 1665.02 1694.84 1736.94 1760.08 1776.50 1792.94 1801.24 1857.09 1877.44 1888.91 1919.38 1951.43 1989.65 2032.55 2067.38 2127.57 2161.75 2199.88 2206.08 2233.07 2250.98 2289.54 2357.64 2364.56 2365.40 2394.71 2402.70 2637.05 4486.97 4509.96 4606.45 4669.79 4701.51 4748.76 4748.92 4767.36 4810.60 4839.17 4880.24 4891.38 5350.18 5428.08 5475.65 0.257229 0.266562 0.267506 0.223185 -512.534118 -512.524785 -512.523841 -512.568161 1.486500D-04 MUNgauss RevisionA2.1 retrievium 07-Jan-2023 GDB_13 Smiles: CC1(N)CNC2C3CN3C3CC123 RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 21.658052 30.856991 17.363389 22.639621 10 6 7 8 2 |36.858105| |12.461503|36.858105| |7.904143|13.084206|53.358707| |7.529093|12.269347|10.238917|36.858105| |6.042731|8.031804|7.121154|13.102944|53.358707| |5.401646|7.660047|7.250717|8.242865|17.812650|36.858105| |4.388826|5.190037|5.375059|5.158396|10.192883|12.490314|36.858105| 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