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3990.54,3.1913517 3991.5039,2.9568276 3992.468,3.1853726 3993.4319,3.4199221 3994.396,3.1967182 3995.3611,2.9687073 3996.325,3.2206602 3997.2891,3.4966276 3998.2529,3.3739166 3999.218,3.0981865 4000.1819,2.7628784 ##MOLFORM=C Ca O3 ##MW=100.09 ##RESOLUTION=1 ##PRESSURE=100 ##TEMPERATURE=26.85 ##END=