void getAtomRecordMOL(StringBuffer s, int i) {
		// -0.9920 3.2030 9.1570 Cl 0 0 0 0 0
		// 3.4920 4.0920 5.8700 Cl 0 0 0 0 0
		// 012345678901234567890123456789012
		rFill(s, "          ", safeTruncate(getAtomX(i), 9));
		rFill(s, "          ", safeTruncate(getAtomY(i), 9));
		rFill(s, "          ", safeTruncate(getAtomZ(i), 9));
		s.append(" " + (getElementSymbol(i) + "  ").substring(0, 2) + "\n");
	}