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1.9248 1.6695 1.6791 1.6769 1.9149 1.9967 2.1919 17.3891 6.3526 6.4722 6.2609 6.3093 6.8467 6.9128 6.9484 7.0418 6.8952 7.2159 7.3960 7.6820 8.5631 9.3423 9.2294 0.8862 0.6125 1.7416 5.7913 0.5951 0.4347 4.0712 3.2292 3.8445 26.8600 9.4690 11.4512 1.3420 1.1319 2.7156 20.0055 6.2765 1.7360 6.5955 53.3882 71.6076 44.9109 165.2074 1.9901 26.4198 23.4953 0.1811 4.9484 3.4443 2.6167 9.8393 7.9817 5.3933 4.0769 1.4004 2.6553 1.6964 4.4997 2.0980 5.5393 2.6376 9.5074 3.4862 12.5192 3.1910 0.4698 6.4642 2.9329 12.6901 7.5421 4.7038 6.4935 12.0662 3.0977 2.2374 6.0990 2.6180 9.2781 24.0754 9.5600 26.8562 43.9465 58.8777 53.2170 46.5748 33.3619 41.3160 25.8444 12.0152 17.0712 18.2400 5.1250 0.5185 0.7305 9.2255 0.4038 0.3188 0.5977 0.7725 0.3311 0.4308 1.0352 1.3456 0.7626 1.5489 2.4569 1.1394 1.5889 7.7558 4.1284 2.0524 3.3824 3.1387 14.5317 3.3709 2.9272 4.3674 3.4219 2.3974 11.0579 4.9228 3.7068 3.5393 6.8362 5.0942 0.7061 4.2586 5.9031 10.2492 0.5975 0.5261 1.8486 4.6579 4.7864 1.6647 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1300.99 1350.03 1381.05 1416.45 1428.80 1452.82 1482.24 1514.15 1564.38 1578.01 1620.46 1639.34 1668.70 1700.48 1748.91 1761.05 1792.92 1820.57 1906.53 1930.61 1948.55 1990.91 2037.32 2055.32 2104.09 2131.66 2161.02 2190.95 2235.20 2246.00 2248.53 2299.36 2360.13 2364.40 2365.20 2370.56 2373.64 2638.05 2739.06 4537.92 4587.22 4603.51 4606.71 4672.50 4692.45 4702.88 4743.41 4787.19 4819.19 4869.43 4914.62 5353.96 5475.84 5485.74 0.255401 0.265600 0.266544 0.220693 -512.558129 -512.547930 -512.546986 -512.592836 1.537817D-04 MUNgauss RevisionA2.1 retrievium 08-Sep-2022 GDB_13 Smiles: CC1C2NN=CC2(C)C2CC12N RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 23.535354 29.973406 17.774820 23.232040 9 6 7 7 2 |36.858105| |12.472952|36.858105| |7.353040|12.351885|36.858105| |6.482039|7.504834|12.993382|53.358707| |4.479660|5.272993|8.163616|18.620866|53.358707| |4.139094|5.324683|8.158188|11.992127|20.675252|36.858105| |4.973577|7.651480|12.265429|11.016690|11.112994|12.612768|36.858105| 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