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0.09738 0.02168 0.02102 2.02906 0.45165 0.43800 67.88 93.71 136.99 163.40 236.64 257.66 311.18 333.97 367.07 376.58 446.64 507.03 632.93 652.76 738.34 795.07 806.07 898.77 969.43 1103.38 1149.95 1259.40 1279.98 1325.08 1373.84 1385.91 1442.88 1466.32 1525.22 1553.52 1559.35 1572.47 1630.11 1657.60 1677.32 1730.97 1753.84 1778.52 1815.71 1830.47 1882.59 1921.76 1941.84 1971.68 2035.20 2046.97 2088.15 2136.46 2140.78 2161.22 2201.50 2244.77 2270.55 2292.61 2330.75 2352.27 2358.52 2383.41 2384.29 2639.53 2644.10 2732.18 4601.27 4609.34 4612.24 4626.60 4671.68 4698.01 4699.43 4736.82 4745.96 4759.54 4869.05 5350.61 5380.60 5484.97 5504.74 5522.74 0.267118 0.279250 0.280194 0.228389 -529.717428 -529.705296 -529.704352 -529.756158 1.737582D-04 MUNgauss RevisionA2.1 retrievium 03-Jan-2023 GDB_13 Smiles: CC1(N)C(N)C1CC1CN=CN1 RHF 6-31G(d) (6D,10F) C1 168.137497 |X|Y|Z| 19.031722 17.125470 45.248362 24.523050 9 6 7 7 2 |36.858105| |12.583693|36.858105| |7.838719|13.180140|53.358707| |7.248229|12.607423|10.128382|36.858105| |6.094710|7.257275|6.740333|13.241090|53.358707| |7.239509|12.678029|10.354280|12.634772|10.081878|36.858105| |6.046097|7.131847|6.788918|7.135692|8.342986|12.556972|36.858105| |4.170923|4.852782|5.151856|5.594272|7.308514|7.506527|12.473807|36.858105| |3.419887|3.649176|4.073019|3.932701|5.421970|4.844695|7.376732|12.304684|36.858105| |2.801310|3.050995|3.583554|3.290982|4.430559|3.952519|5.187673|7.924712|13.040940|53.358707| |2.858845|3.254382|3.882407|3.563044|4.601170|4.369326|5.376106|8.375071|8.749478|20.689798|36.858105| |3.479520|4.198387|4.867291|4.719827|5.755988|6.275906|7.632353|12.988260|8.214393|11.471234|13.748009|53.358707| |17.574250|8.885336|9.586337|5.479624|6.324507|6.243266|5.699247|3.920974|3.341583|3.757745|2.800222|4.561898|0.500000| |17.602583|8.736952|7.650971|6.840644|9.292835|6.657174|6.443586|4.490866|3.750790|4.039978|2.952376|4.822528|0.300817|0.500000| 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|5.457953|8.750921|9.964822|8.716887|7.607123|17.656710|8.828958|6.733058|4.488925|5.361347|4.611301|9.371401|0.140719|0.136334|0.123078|0.153006|0.235098|0.219965|0.126595|0.144936|0.500000| |6.771197|6.706292|6.221087|6.591479|8.868617|8.792576|17.540879|8.928699|6.786942|6.253485|4.441316|7.609326|0.172736|0.231893|0.138361|0.108855|0.116476|0.135725|0.144695|0.236359|0.172771|0.500000| |5.487650|6.096840|6.449454|5.416400|6.278741|8.944813|17.540094|8.904213|6.871243|6.980893|5.272251|9.499553|0.159627|0.154298|0.116233|0.107178|0.127317|0.122903|0.107062|0.142042|0.215325|0.304284|0.500000| |4.041229|4.716302|4.957642|6.061570|8.810462|6.856307|8.882824|17.518330|8.748780|8.719930|6.689007|12.352972|0.101335|0.123340|0.094640|0.090006|0.101922|0.143635|0.135047|0.199908|0.165890|0.214015|0.174408|0.500000| 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