fixed two bugs in output, masses are still wrong
fixed two bugs in output, masses are still wrong

vaidyanathanms/votca.csg,Pallavi-Banerjee21/votca.csg,vaidyanathanms/votca.csg,Pallavi-Banerjee21/votca.csg,Pallavi-Banerjee21/votca.csg,Pallavi-Banerjee21/votca.csg,vaidyanathanms/votca.csg,vaidyanathanms/votca.csg,vaidyanathanms/votca.csg,Pallavi-Banerjee21/votca.csg,Pallavi-Banerjee21/votca.csg