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SYMMETRY PULAY PM7 Cu-CH3 GR=BLPB1989 <Cu-C> Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.93600000 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.07348472 +1 108.7627723 +1 0.0000000 +0 2 1 0 H 1.07348472 +1 108.7627723 +1 120.0000000 +1 2 1 3 H 1.07348472 +1 108.7627723 +1 -120.0000000 +1 2 1 3