|
CHARGE=0 rep739sys025g07pt100ab H=1.308+rep739sys025g07pt100a+rep739sys025g07pt100b 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 -0.20623749 +0 -1.25362355 +0 -0.78120452 +0 F 0.26963103 +0 -0.08250720 +0 -0.73828997 +0 N -0.63978324 +0 -2.31873163 +0 -0.82050927 +0