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CHARGE=0 rep739sys037g04pt100ab H=3.002+rep739sys037g04pt100a+rep739sys037g04pt100b 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 -2.09963602 +0 -0.35572274 +1 -0.61481550 +0 Br -0.49575526 +0 0.20762400 +0 -1.18642286 +0 N -3.13001477 +0 -0.71706868 +0 -0.24749992 +0