|
CHARGE=0 rep739sys042g01pt100ab H=2.063+rep739sys042g01pt100a+rep739sys042g01pt100b HR=NCIA HWT=10 H 0.88017273 +0 -2.75418982 +0 0.12263244 +0 H 0.11717273 +1 -2.39518982 +0 -1.62136756 +0 S 0.32917273 +0 -1.69918982 +1 -0.49436756 +0 C 0.45012601 +0 0.98949505 +0 1.99931260 +0 Br -0.25618233 +0 1.32241335 +0 0.38474705 +0 N 0.90432010 +0 0.77579696 +0 3.03623731 +0