final String title = mol.getTitle(); if (title != null) writer.writeDirect(title.substring(0, Math.min(80, title.length()))); writer.writeDirect('\n'); writer.writeDirect(" CDK "); writer.writeDirect(HEADER_DATE_FORMAT.format(System.currentTimeMillis())); final int dim = getNumberOfDimensions(mol); if (dim != 0) { writer.writeDirect(Integer.toString(dim)); writer.writeDirect('D'); writer.writeDirect('\n'); writer.writeDirect(comment.substring(0, Math.min(80, comment.length()))); writer.writeDirect('\n'); writer.writeDirect(" 0 0 0 0 0 999 V3000\n");
writer.writeDirect("M END\n"); writer.writer.flush();
case 2: if (p2d != null) { writer.write(p2d.x).writeDirect(' ') .write(p2d.y).writeDirect(' ') .write("0 "); } else { case 3: if (p3d != null) { writer.write(p3d.x).writeDirect(' ') .write(p3d.y).writeDirect(' ') .write(p3d.z).writeDirect(' '); } else { writer.write("0 0 0 ");