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* * 112.354 * PM7 Gold(I) bromide <Au-Br> GR=PW91D Au 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.43634800 +1 0.0000000 +0 0.0000000 +0 1 0 0