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0.03826 1.47800 1.00428 0.79731 140.65 260.26 314.48 328.77 390.14 427.42 473.72 492.36 587.03 630.26 709.79 749.61 769.53 821.65 880.58 915.04 1019.69 1098.03 1157.67 1181.72 1191.39 1245.30 1310.64 1382.99 1415.30 1447.44 1454.96 1473.78 1532.34 1547.11 1596.94 1611.77 1632.76 1650.32 1717.00 1719.27 1743.44 1815.21 1827.11 1883.35 1892.18 1907.66 1945.18 1979.36 1998.72 2073.82 2120.91 2131.60 2140.99 2180.80 2189.51 2229.80 2232.90 2253.12 2306.74 2356.82 2363.19 2367.41 2379.61 2404.29 2639.48 2716.35 4600.01 4605.47 4632.54 4642.70 4651.72 4690.03 4706.59 4733.49 4765.29 4772.98 4788.58 4799.05 4828.20 5359.54 5457.04 5491.76 0.270576 0.280168 0.281112 0.236442 -496.551184 -496.541592 -496.540648 -496.585317 1.498206D-04 MUNgauss RevisionA2.1 retrievium 06-Jan-2023 GDB_13 Smiles: CC1(N)CNC2C3CC=CC1C23 RHF 6-31G(d) (6D,10F) C1 164.131349 |X|Y|Z| 23.456105 29.699168 17.023209 22.804149 10 6 7 9 1 |36.858105| |12.456246|36.858105| |7.924848|13.016560|53.358707| 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|3.630361|5.111815|6.946431|5.697159|12.425343|17.694565|8.760120|5.418448|4.257057|4.262009|5.435033|8.629694|0.091382|0.093304|0.092696|0.123875|0.179551|0.131284|0.134249|0.242345|0.500000| |3.270123|4.237181|5.150850|4.445470|7.561814|8.789787|17.687814|8.708242|5.759621|5.060372|5.439381|8.684731|0.084826|0.089275|0.080083|0.090878|0.117482|0.100300|0.121667|0.129623|0.222356|0.500000| |3.277780|3.892418|4.351439|4.261232|6.309042|5.469485|8.926947|17.544203|8.977065|5.816185|4.846945|5.583919|0.083758|0.096465|0.079424|0.079113|0.091703|0.096946|0.133476|0.105071|0.127199|0.229933|0.500000| |3.918487|4.798445|5.066293|6.109557|9.106717|6.729544|8.826170|17.509336|8.911456|6.150460|5.361680|5.852546|0.094398|0.117087|0.095738|0.093569|0.105404|0.133231|0.210841|0.139374|0.144452|0.184904|0.305372|0.500000| 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