|
CHARGE=0 rep739sys044g01pt100ab H=2.135+rep739sys044g01pt100a+rep739sys044g01pt100b HR=NCIA HWT=10 C -1.63127098 +0 0.00000000 +0 -1.78000000 +0 Cl 0.00000000 +1 0.00000000 +0 -1.78000000 +0 N -2.78330030 +0 0.00066159 +1 -1.78000000 +0 C 1.79346808 +0 -0.00047836 +0 1.37302400 +0 Br 0.00000000 +0 0.00000000 +0 1.37302400 +0 N 2.94549757 +0 -0.00023185 +0 1.37302400 +0