|
CHARGE=0 rep739sys032g07pt100ab H=1.804+rep739sys032g07pt100a+rep739sys032g07pt100b 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 -0.21739379 +0 -1.63167317 +0 -1.14081658 +0 Cl 0.39641327 +0 -0.12130262 +0 -1.08543864 +0 N -0.65144392 +0 -2.69808047 +0 -1.18016034 +0