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PM7 Diamino magnesium H=-6.2 HR=GPSS1993 Mg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 N 2.12645199 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 0.99139885 +1 111.4790854 +1 0.0000000 +0 2 1 0 H 0.99172999 +1 111.1886365 +1 120.3959587 +1 2 1 3 N 2.12893176 +1 179.1591309 +1 59.7509841 +1 1 2 3 H 0.99250310 +1 110.9195370 +1 98.3669849 +1 5 1 3 H 0.99213153 +1 111.3117933 +1 -119.8706946 +1 5 1 6