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c8isoqui.xyz
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c8isoqui.xyz
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c8isoqui il.ff
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CAQ -3.15854 -0.43564 -0.00083
CA -4.39779 -1.09509 -0.00359
CA -5.58454 -0.35533 -0.00142
CA -5.54213 1.04189 0.00324
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CAQ -3.11682 0.97350 0.00431
CA -1.87995 1.61895 0.00770
CA -0.70617 0.86397 0.00611
HAP -1.98773 -2.23971 -0.00736
HA -4.44861 -2.17730 -0.00725
HA -6.53897 -0.86563 -0.00341
HA -6.46327 1.61020 0.00475
HA -4.29698 2.79094 0.00978
HAP -1.81785 2.70088 0.01165
HAP 0.22509 1.41034 0.00896
C1 0.46484 -1.36195 -0.00281
H1 0.43803 -2.02021 0.89416
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CS 8.06233 -1.75267 -0.01912
CT 9.34618 -0.92767 0.00340
HC 1.84843 0.03405 0.92471
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HC 5.50719 -2.33974 0.87943
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HC 8.04829 -2.37042 -0.94348
HC 8.05395 -2.42902 0.86326
HC 9.38877 -0.25534 -0.88008
HC 10.22549 -1.60494 -0.02251
HC 9.39547 -0.31568 0.92934