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CHARGE=1 PM7 Cu(+) - NH3 <Cu-N> GR=HO1997 Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 N 1.92000000 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.02162922 +1 112.8903398 +1 0.0000000 +0 2 1 0 H 1.02161694 +1 112.8712478 +1 -119.9864756 +1 2 1 3 H 1.02161294 +1 112.8941620 +1 120.0191408 +1 2 1 3