int rNum=rnumItr.next(); for (RGroup rgrp: hub.getRGroupHandler().getrGroupQuery().getRGroupDefinitions().get(rNum).getRGroups()) { rgrp.getGroup().setProperty(CDKConstants.TITLE,RGroup.makeLabel(rNum));
newAtc.setProperty(CDKConstants.TITLE, RGroup.makeLabel(rgrpNum)); break atoms;
sb = new StringBuilder(RGroup.makeLabel(rgroupNum) + "\n\n\n"); line = input.readLine(); while (line != null && !line.startsWith("$END CTAB")) {
molecule.setProperty(CDKConstants.TITLE,RGroup.makeLabel(rNum));