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1.6616 1.7709 2.0435 2.6262 10.6415 13.9614 12.7841 6.3037 6.2681 6.4367 6.7226 6.7744 6.8990 6.9087 7.0100 6.9937 6.9848 7.1838 7.6738 8.7760 9.1022 9.2346 0.2667 4.5570 0.1365 1.4973 0.8715 2.0047 0.7274 2.2692 7.2065 4.5244 4.0507 2.0956 0.3815 2.1810 2.0325 25.2552 2.4419 30.5370 6.5396 17.4553 34.1433 83.4968 65.9198 5.0579 122.7020 7.0577 14.2617 1.0716 30.2337 7.8952 4.9454 38.4683 3.5108 8.6316 20.7753 5.2284 22.8795 9.3199 68.0513 15.8970 3.9096 4.9556 31.8435 1.2496 48.1831 113.1320 10.4727 9.1573 10.9272 5.0450 9.5492 4.1297 12.5711 2.9044 6.7150 4.0792 194.1918 8.8885 0.9018 182.9373 69.9470 33.6192 35.1768 41.1447 1.4417 24.0458 50.8495 36.7660 9.5560 14.9093 35.3563 15.1947 2.4884 2.2067 42.4050 0.4975 2.4424 4.9864 2.1079 2.5534 3.1267 1.3531 2.0483 4.4441 1.2713 1.4485 1.4318 1.5508 2.9528 2.0456 3.7659 2.9732 2.3406 6.7592 5.2271 3.2146 6.6732 6.6185 8.6408 1.8482 6.6665 5.1308 4.6440 4.4625 1.6436 1.6248 1.7737 4.1617 3.3223 2.6463 4.3284 6.1227 1.7907 2.5392 1.9562 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1225.65 1276.80 1282.87 1391.92 1427.09 1448.97 1470.98 1490.31 1549.48 1556.26 1573.16 1612.22 1697.10 1720.61 1756.51 1783.51 1805.67 1854.30 1941.50 1959.79 2002.21 2065.77 2078.96 2110.46 2114.89 2167.35 2231.98 2239.88 2253.33 2296.41 2337.03 2351.82 2359.24 2364.67 2385.05 2476.56 2671.53 2708.57 2750.51 4555.31 4606.83 4619.82 4639.72 4672.59 4679.83 4699.91 4727.62 4758.37 4800.27 4804.55 4912.46 5355.38 5451.43 5493.61 0.255549 0.266296 0.267240 0.219466 -512.566163 -512.555416 -512.554472 -512.602247 1.602381D-04 MUNgauss RevisionA2.1 retrievium 17-Nov-2022 GDB_13 Smiles: CC1NC(=N)CNCC(=C)C=C1 RHF 6-31G(d) (6D,10F) C1 165.126598 |X|Y|Z| 25.541540 30.832444 17.926911 24.168712 9 6 7 7 2 |36.858105| |12.474687|36.858105| |7.733757|13.015530|53.358707| |5.262442|7.676255|18.761225|36.858105| |4.695717|6.221940|10.938450|15.136601|53.358707| |3.898830|5.182341|10.662866|12.528542|10.834531|36.858105| |3.777922|5.063703|9.443956|7.721847|7.298439|13.097794|53.358707| 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