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0.0423 0.0490 0.0755 0.0852 0.1622 0.1633 0.1540 0.2456 0.2718 0.3767 0.5809 0.5867 0.8176 1.1377 0.8745 0.4269 0.6142 0.9255 0.9245 1.1815 0.8793 1.1672 0.9831 1.0469 1.2194 1.1342 1.0449 1.4032 1.2393 1.6763 1.0972 1.1139 1.8454 1.2861 1.4087 1.7387 1.7289 1.3099 2.0345 1.9177 1.8418 1.6302 1.8238 1.7884 1.6529 1.4978 1.6698 2.0549 2.2326 2.0083 2.0873 2.1506 1.8038 1.9486 1.9697 1.6753 1.6858 1.6637 1.6652 1.6757 1.6942 1.7522 1.7537 1.7515 13.0753 6.4344 6.3510 6.4177 6.2620 6.3677 6.3629 6.5428 6.5077 6.5216 6.8060 6.8505 6.8066 6.8996 6.9064 6.9258 6.9849 7.0162 7.0364 7.1142 7.3364 0.0045 0.0049 0.0051 0.0265 0.0306 0.0262 0.0043 0.0466 0.0314 0.0328 0.1475 0.2060 0.6815 1.1786 0.5437 0.4947 0.8071 2.1284 0.8690 1.3095 0.9469 28.7683 2.2565 2.2208 1.1301 2.5465 2.0332 1.9871 0.2757 1.7817 0.9170 1.1092 1.8828 2.3947 0.8170 1.0996 0.6869 1.4842 3.9843 1.8702 2.1533 2.2139 2.5444 1.7442 1.0255 0.2232 0.3077 2.9264 3.4798 1.9217 0.1078 1.3472 0.9835 0.1775 2.4537 1.4474 1.2013 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1577.47 1596.92 1606.66 1638.41 1676.23 1683.60 1723.63 1742.34 1751.08 1770.49 1812.39 1852.35 1870.71 1896.56 1946.13 1995.10 2021.63 2034.58 2087.78 2102.86 2109.46 2142.65 2153.07 2199.64 2218.19 2234.58 2250.32 2253.09 2257.56 2350.89 2357.39 2360.44 2365.64 2366.44 2372.53 2375.21 2380.24 2387.44 2688.48 4569.85 4580.34 4591.65 4599.60 4609.61 4612.74 4619.31 4620.00 4641.14 4654.87 4679.26 4687.63 4691.07 4693.59 4696.21 4715.11 4724.90 4744.30 4795.75 4839.46 0.314760 0.326456 0.327400 0.277894 -465.702800 -465.691104 -465.690159 -465.739665 1.660439D-04 MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: CCCC12CC(C=CC1C)C2C RHF 6-31G(d) (6D,10F) C1 164.156501 |X|Y|Z| 36.017869 24.079799 18.238976 25.102893 7 6 7 |36.858105| |12.457403|36.858105| |7.497516|12.431343|36.858105| |4.828475|7.308316|12.446880|36.858105| |3.699675|4.759520|7.285881|12.260685|36.858105| |3.211389|4.142709|5.402128|8.939235|12.335657|36.858105| 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