|
CHARGE=0 rep739sys031g02pt100ab H=1.822+rep739sys031g02pt100a+rep739sys031g02pt100b HR=NCIA HWT=10 C -2.73533144 +0 -0.05993277 +0 0.22294989 +0 H -3.79733144 +1 -0.08393277 +0 0.30894989 +0 N -1.59433144 +0 -0.03493277 +1 0.12994989 +0 C 1.24156734 +0 1.32215754 +0 0.89222437 +0 Cl 1.18934136 +0 0.02605919 +0 -0.09694018 +0 N 1.27850160 +0 2.23708119 +0 1.59131133 +0