|
CHARGE=0 rep739sys040g07pt100ab H=1.756+rep739sys040g07pt100a+rep739sys040g07pt100b 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 C -0.23563506 +0 -1.79493693 +0 -1.26364755 +0 Br 0.43925378 +0 -0.13441183 +0 -1.20274236 +0 N -0.66962510 +0 -2.86136962 +0 -1.30296652 +0