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* * 242.994 * PM7 Cu-Cu GR=HH1979 <Cu-Cu> GWT=0.2 Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cu 2.20000000 +1 0.0000000 +0 0.0000000 +0 1 0 0