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0.7450 0.1868 0.2328 0.6219 0.5824 0.5517 0.1986 0.3267 0.7489 0.7007 0.7340 0.7468 0.7094 0.6718 0.7033 0.6778 0.7458 0.7108 0.6523 0.2329 0.0128 0.6464 0.0472 0.3993 0.0679 0.3684 0.7182 0.7485 0.7297 0.7264 0.6324 0.6359 0.2981 0.0884 0.2132 0.7489 0.4576 0.8325 0.8571 0.8300 0.6138 0.6550 0.4590 0.5120 0.8193 0.6721 0.8385 0.4079 0.4114 0.3541 0.7368 0.7585 0.2325 0.7784 0.8292 0.7198 0.1093 0.8249 0.7285 0.6993 0.7615 0.8407 0.8562 0.7344 0.7969 0.7282 0.7107 0.6854 0.6812 0.7086 0.7234 0.8344 0.7052 0.8553 0.7383 0.8558 0.8335 0.7098 0.7678 0.3065 0.8502 0.8555 0.8505 0.8548 0.8539 0.3148 0.3777 0.7668 0.7361 0.7111 0.3315 0.4925 0.8564 0.8240 0.8466 0.8550 0.8300 0.8037 0.8258 0.8080 0.8544 0.8310 0.7896 0.3778 0.0253 0.7853 0.0902 0.5707 0.1271 0.5384 0.8360 0.8561 0.8437 0.8415 0.7748 0.7774 0.4593 0.1624 0.3515 0.8564 0.6279 298.150 1.00000 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 6 6 6 6 6 6 6 6 7 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1312.26758 2749.19920 3278.42600 0.99996 0.00154 0.00870 -0.00155 1.00000 0.00086 -0.00870 -0.00088 0.99996 1 0.06600 0.03151 0.02642 1.37528 0.65646 0.55049 65.95 126.16 145.79 212.45 282.39 301.57 313.59 360.70 397.01 448.45 536.91 586.75 622.96 654.99 792.91 853.45 917.55 1020.59 1129.52 1215.20 1227.93 1275.27 1306.78 1335.87 1405.36 1452.13 1482.90 1501.10 1529.55 1578.14 1611.42 1615.50 1659.50 1684.72 1735.84 1754.98 1771.76 1795.05 1807.50 1811.74 1853.43 1874.14 1896.66 1921.56 1973.31 1992.57 2030.80 2075.48 2086.96 2133.23 2145.10 2156.63 2193.14 2209.73 2252.60 2255.82 2345.29 2350.38 2355.35 2358.03 2360.63 2365.55 2378.31 2385.02 2410.72 2425.60 4511.71 4601.47 4608.13 4617.21 4630.06 4655.47 4677.70 4682.25 4701.46 4706.78 4722.23 4723.64 4724.65 4736.69 4740.54 4798.80 4845.19 4866.60 0.290815 0.302269 0.303213 0.253197 -497.671668 -497.660215 -497.659271 -497.709287 1.677545D-04 MUNgauss RevisionA2.1 retrievium 12-Jun-2022 GDB_13 Smiles: CC1CCC2(C)C(CN3CC3)N12 RHF 6-31G(d) (6D,10F) C1 166.146999 |X|Y|Z| 25.013007 17.422912 37.425436 25.360113 10 6 7 8 2 |36.858105| |12.507566|36.858105| |7.344559|12.321119|36.858105| |5.049047|7.797305|12.356202|36.858105| |5.204098|8.016266|7.786261|12.455677|36.858105| |3.828179|5.238858|5.049593|7.347970|12.613149|36.858105| |5.828658|7.482054|6.435791|7.413085|12.920903|7.339112|36.858105| |5.541023|5.995885|5.942520|6.130704|7.154061|4.869387|12.573965|36.858105| |3.898434|4.238196|4.453165|5.061343|5.698920|4.489614|7.900856|13.118203|53.358707| |3.330488|3.391576|3.549645|3.775042|4.006133|3.355766|5.123640|7.722794|18.016754|36.858105| |3.307874|3.445497|3.419231|3.767831|4.389808|3.818681|5.941073|7.703040|17.994732|12.910364|36.858105| 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