shell0_X0_Y0_Z0_mono2_fix1//test20tig_AVQZ/ DONE 4.221160265949138 1 1.0 0.0 -0.004387353862000509 -0.004537362394000044 -0.0043824503219980215 -0.004274141028
shell0_X0_Y0_Z0_mono1_fix1//test20tig_AVQZ// DONE 4.659641355674647 1 1.0 0.0  -0.000247440266022636 -0.0009242277810000421 -0.0002472486630011872 -0.0009058318879999749
shell0_X0_Y0_Z0_mono3_fix1//test20tig_AVQZ/ DONE 7.469835791998648 1 1.0 0.0 -9.557313700270242e-05 -3.378350200006208e-05 -9.548323298247396e-05 -3.3063275000022596e-05
