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160.10005 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 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 41.8712 111.6530 210.3896 291.4891 299.8146 335.5179 351.7265 398.2883 411.5386 498.1786 534.8003 576.3289 636.6278 699.1424 731.5993 767.9574 796.7948 833.5142 855.0208 926.7536 933.7721 942.1820 981.0983 996.1430 1016.1238 1035.6564 1045.5533 1055.8533 1080.0047 1102.2606 1127.4898 1136.0280 1181.1458 1187.4545 1215.7681 1267.0574 1306.7469 1309.7148 1348.5412 1377.2371 1402.7847 1421.8264 1444.7994 1479.6515 1489.3817 1527.7804 1587.7676 1597.0575 1617.2877 1640.6256 1667.1349 1850.5653 1872.1989 1922.5477 3130.2532 3167.0204 3256.9560 3303.1217 3314.2409 3345.6257 3366.4969 3383.7635 3400.3636 3414.5973 3425.8602 3826.7316 3.8962 3.2966 4.0288 2.8260 3.4242 3.0857 2.5963 4.0558 2.5306 3.7811 2.6909 3.6217 2.3488 4.3586 3.6870 2.2422 1.4003 1.8836 1.0643 3.9043 1.5476 2.4548 2.2444 1.9359 1.6590 2.2952 1.4867 1.7917 1.8863 2.0959 2.1775 2.1101 2.6574 1.5209 1.3883 1.8088 1.5634 1.6490 1.3222 1.9338 1.6654 1.6414 2.0786 1.8104 1.6230 2.2268 1.2487 1.2942 1.0888 1.0993 1.3093 7.4033 5.2856 8.3962 1.0835 1.0738 1.0912 1.0545 1.0607 1.0641 1.0940 1.1180 1.1154 1.0974 1.1144 1.0779 0.0040 0.0242 0.1051 0.1415 0.1813 0.2047 0.1892 0.3791 0.2525 0.5529 0.4534 0.7088 0.5609 1.2553 1.1627 0.7791 0.5238 0.7710 0.4584 1.9757 0.7950 1.2839 1.2728 1.1318 1.0092 1.4505 0.9576 1.1769 1.2963 1.5004 1.6309 1.6044 2.1843 1.2635 1.2090 1.7109 1.5729 1.6666 1.4167 2.1611 1.9309 1.9550 2.5565 2.3353 2.1212 3.0624 1.8548 1.9449 1.6780 1.7433 2.1440 14.9376 10.9156 18.2847 6.2551 6.3456 6.8202 6.7787 6.8643 7.0176 7.3052 7.5418 7.5982 7.5384 7.7060 9.3004 0.1481 1.1182 0.9604 0.3494 1.5497 1.2926 0.2265 0.2455 1.7837 2.5955 12.2009 11.0191 50.7484 2.3245 8.0091 24.4563 23.0429 40.6735 2.1815 49.2018 21.2048 20.6905 43.4219 8.6291 7.6188 40.2088 19.6687 5.9156 4.3987 2.7304 2.9470 7.9656 14.7176 1.0937 1.2901 2.5267 1.1220 1.1472 9.2185 2.9403 0.9475 15.3256 3.6451 17.6566 12.3934 8.2121 7.7261 14.0636 1.4353 0.5812 3.4891 3.8316 16.2017 5.7413 43.7701 43.4719 28.7830 26.9923 19.7229 10.6860 17.4272 1.7757 19.7142 14.6190 9.7479 17.9128 0.6550 2.4367 1.4065 1.5764 1.3087 0.2915 4.2323 7.5591 4.1995 3.7722 1.7112 2.8573 7.3680 19.9128 2.9464 6.0548 3.1457 5.2725 3.3277 4.3097 0.9493 9.5428 7.1021 8.6933 13.3282 9.7882 2.7711 3.2676 4.8940 3.7970 3.4933 5.1761 2.0133 1.1475 0.1069 14.1995 6.6108 5.5912 12.2544 4.5180 5.9001 7.6607 23.9800 1.9415 2.3094 4.3772 26.8029 2.5594 11.6002 15.1125 3.4003 52.8832 43.3571 205.2635 89.3329 101.8663 62.0838 57.0808 110.5156 83.1494 113.9217 61.7855 30.5675 130.3407 55.9377 134.0403 0.7451 0.7439 0.6814 0.7308 0.5103 0.6341 0.7496 0.5926 0.4182 0.7224 0.3694 0.5741 0.7451 0.0887 0.6516 0.5924 0.7061 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MUNgauss RevisionA2.1 retrievium 09-Sep-2022 GDB_13 Smiles: C=C1C2NN=CC2=CCC11CC1 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 35.018562 22.747973 12.177487
21.327154 11 6 7 9 2
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