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PM7 MgH(CCH) <Mg-H> <Mg-C> GR=GPSS1993 H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Mg 1.70000000 +1 0.0000000 +0 0.0000000 +0 1 0 0 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0 C 2.04000000 +1 90.0000000 +0 180.0000000 +0 2 3 1 C 3.24816460 +1 90.0000000 +0 180.0000000 +0 2 3 1 H 4.27306280 +1 90.0000000 +0 180.0000000 +0 2 3 1