像这样添加主要
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public class MQN {
TopologyAnalyser ta = new TopologyAnalyser();
HBDAPlugin hbda = new HBDAPlugin();
public static void main(String [] args) {
// This is where the execution of the program will begin
}
public String calculateMQN(Molecule m) {
if (!m.dearomatize()) {
System.out.println("DEAROMATIZE ERROR");
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