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        }
      },
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        },
        {
          "embedding_id": "embedding_16",
          "map_id_to_pdb_serial": {
            "1": 896,
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        }
      ],
      "embedding_map_encoding": "Each embedding stores map_id_to_pdb_serial; resolve serials through selected_target_atom_inventory.",
      "map_id_ambiguity": {
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          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
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        },
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          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
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          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
            898,
            900
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        },
        "4": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
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        },
        "5": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
            898,
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        },
        "6": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
        "7": {
          "candidate_count": 1,
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          "candidate_pdb_serials": [
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        },
        "8": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
        "9": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
        "10": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
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        },
        "11": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
            904,
            906
          ]
        },
        "12": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
            901,
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        },
        "13": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
        "14": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
        "15": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
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        },
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        },
        "17": {
          "candidate_count": 2,
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        },
        "18": {
          "candidate_count": 2,
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        },
        "19": {
          "candidate_count": 1,
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        },
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          "candidate_count": 1,
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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        },
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          "candidate_count": 2,
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        },
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        },
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        },
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          "candidate_count": 2,
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        },
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        },
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          "candidate_count": 4,
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        },
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        },
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          "candidate_count": 2,
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        },
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        },
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        },
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        },
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        },
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          "candidate_pdb_serials": [
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        },
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          "candidate_pdb_serials": [
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        },
        "66": {
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        },
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          "candidate_pdb_serials": [
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        },
        "68": {
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          "candidate_pdb_serials": [
            870,
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        },
        "69": {
          "candidate_count": 4,
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          "candidate_pdb_serials": [
            872,
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        },
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          "candidate_count": 4,
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          "candidate_pdb_serials": [
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        },
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          "candidate_count": 2,
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          "candidate_pdb_serials": [
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        },
        "72": {
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          "candidate_pdb_serials": [
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        },
        "73": {
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          "candidate_pdb_serials": [
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        },
        "74": {
          "candidate_count": 2,
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          "candidate_pdb_serials": [
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        },
        "75": {
          "candidate_count": 2,
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          "candidate_pdb_serials": [
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        },
        "76": {
          "candidate_count": 2,
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          "candidate_pdb_serials": [
            859,
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        },
        "77": {
          "candidate_count": 2,
          "unique_across_all_embeddings": false,
          "candidate_pdb_serials": [
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        },
        "78": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
            862
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        },
        "79": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
            817
          ]
        },
        "80": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
            816
          ]
        },
        "81": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
            811
          ]
        },
        "82": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
            810
          ]
        },
        "83": {
          "candidate_count": 1,
          "unique_across_all_embeddings": true,
          "candidate_pdb_serials": [
            809
          ]
        }
      },
      "ambiguous_graph_map_id_count": 54,
      "unmatched_target_fragment_atoms": [
        {
          "serial": 820,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "C1",
          "element": "C"
        },
        {
          "serial": 821,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "C2",
          "element": "C"
        },
        {
          "serial": 812,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "CD1",
          "element": "C"
        },
        {
          "serial": 813,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "CD2",
          "element": "C"
        },
        {
          "serial": 814,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "CD3",
          "element": "C"
        },
        {
          "serial": 815,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "CD4",
          "element": "C"
        },
        {
          "serial": 818,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "O",
          "element": "O"
        },
        {
          "serial": 819,
          "chain": "B",
          "residue_number": "30",
          "insertion_code": "",
          "residue": "LYX",
          "name": "O1",
          "element": "O"
        }
      ],
      "unmatched_fragment_interpretation": "Eight LYX B30 atoms attributed to the previously mapped six-carbon B29 linker (C6O2) under the candidate linker map; this audit does not independently prove that chemical interpretation.",
      "graph_match_scope": "Element-labeled graph monomorphism using CONECT/LINK adjacency only; extra target edges are allowed and bond orders are ignored."
    }
  ],
  "assessment": {
    "both_coordinate_candidates_contain_anchored_roof_graph": true,
    "one_authoritative_full_graph_to_pdb_map_established": false,
    "unmatched_b29_linker_atoms_per_state": 8,
    "interpretation": "The isolated 83-heavy-atom source roof graph embeds in each corrected coordinate candidate with 16 element-matched, edge-preserving mappings after fixing the six previously documented C21-C23/azide-tail anchors. The six anchors are assumptions imported from the candidate linker map. Many remaining graph map IDs have multiple PDB atom candidates; no unique full graph-to-PDB atom map follows.",
    "limitations": [
      "The check compares element labels and adjacency from PDB CONECT/LINK records only; PDB records do not encode authoritative bond orders or formal charges.",
      "Subgraph monomorphism allows additional target edges, including adjacency introduced when the source azide is clicked into the B29 alkyne linker.",
      "The six fixed tail anchors come from the previously documented candidate map and are not independently proven by this search.",
      "No coordinate fitting, geometry validation, stereochemical assignment, protonation assignment, partial-charge assignment, or force-field validation was performed.",
      "The source graph is an isolated roof macrocycle component, not the complete NNC2215 insulin conjugate.",
      "The eight unmatched LYX atoms are identified as the B29 linker only under the existing candidate partition; this audit does not independently prove that partition.",
      "The corrected PDB files remain candidate derivatives of published model coordinates; this audit does not promote them to experimental structures or production simulation inputs."
    ]
  }
}