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CHARGE=0 rep739sys004g08pt100ab H=2.330+rep739sys004g08pt100a+rep739sys004g08pt100b HR=NCIA HWT=10 F 0.65549693 +0 -0.27452436 +0 1.56871061 +0 H 0.30449693 +1 -0.12752436 +0 0.72871061 +0 C -0.65339590 +0 0.27364444 +1 -1.56368250 +0 H -1.05986506 +0 0.44324104 +0 -2.53416476 +0 N -0.21756306 +0 0.09111615 +0 -0.52066373 +0