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CHARGE=0 rep739sys019g13pt100ab H=2.109+rep739sys019g13pt100a+rep739sys019g13pt100b HR=NCIA HWT=10 H -1.00458420 +0 -0.48631303 +0 1.93896087 +0 H -0.43058420 +1 0.92568697 +0 1.99096087 +0 O -0.51858420 +0 0.15868697 +1 1.41996087 +0 H 1.16454913 +0 0.65164509 +0 -2.15782244 +0 H 0.43558650 +0 -1.14189668 +0 -2.22421082 +0 S 0.48373944 +0 -0.14802446 +0 -1.32455071 +0