/// <summary> /// Convert mol to V2000 Molfile /// </summary> /// <param name="mol"></param> /// <returns></returns> public static string AtomContainerToMolfile(IAtomContainer mol) { java.io.StringWriter sw = new java.io.StringWriter(); MDLV2000Writer writer = new MDLV2000Writer(sw); writer.write(mol); writer.close(); sw.close(); string molFile = sw.toString(); return(molFile); }