|
CHARGE=0 rep739sys049g07pt100ab H=2.106+rep739sys049g07pt100a+rep739sys049g07pt100b 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 -0.26294155 +0 -1.99643653 +0 -1.40321077 +0 I 0.48773390 +0 -0.14924677 +0 -1.33548815 +0 N -0.69763294 +0 -3.06408532 +0 -1.44264998 +0