The adjacency matrix subsequently facilitates a comprehensive cluster and coordination interaction assessment. Within this framework, i and j signify water atoms. The principal water cluster included the intact water molecules encapsulated within the nanodroplet. The dangling water molecule were separated from the core nanodroplet using the cluster analysis module, named connected -components, within the Net-workX package. The vertices belonging to the largest connected component of water (bulk water) were separated from the remaining isolated or dangling water molecules. Connectivity analysis was then performed on the largest extracted connected component, representing an undissociated water nanodroplet.