{
  "schema": "vibe-sketch/1",
  "revision": 3,
  "canvas": {
    "format": "ket",
    "data": {
      "ket_version": "2.0.0",
      "root": {
        "nodes": [
          {
            "$ref": "mol0"
          },
          {
            "$ref": "mol1"
          },
          {
            "$ref": "mol2"
          },
          {
            "type": "arrow",
            "data": {
              "mode": "open-angle",
              "pos": [
                {
                  "x": 9.75,
                  "y": -7.5,
                  "z": 0
                },
                {
                  "x": 13.5,
                  "y": -7.5,
                  "z": 0
                }
              ]
            }
          },
          {
            "type": "plus",
            "location": [
              5.75,
              -7.5,
              0
            ],
            "prop": {}
          },
          {
            "type": "text",
            "boundingBox": {
              "x": 10.5,
              "y": -6,
              "width": 1.4992187500000007,
              "height": 0.375
            },
            "paragraphs": [
              {
                "parts": [
                  {
                    "text": "Ni catalyst"
                  }
                ],
                "indent": 0
              }
            ],
            "indent": 0
          }
        ],
        "connections": [],
        "templates": []
      },
      "mol0": {
        "type": "molecule",
        "atoms": [
          {
            "label": "C",
            "location": [
              2.383975,
              -7.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              2.383975,
              -8.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              3.25,
              -8.5,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              4.116025,
              -8.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              4.116025,
              -7.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              3.25,
              -6.5,
              0.0
            ]
          }
        ],
        "bonds": [
          {
            "type": 1,
            "atoms": [
              5,
              0
            ]
          },
          {
            "type": 1,
            "atoms": [
              0,
              1
            ]
          },
          {
            "type": 1,
            "atoms": [
              1,
              2
            ]
          },
          {
            "type": 1,
            "atoms": [
              2,
              3
            ]
          },
          {
            "type": 2,
            "atoms": [
              3,
              4
            ]
          },
          {
            "type": 1,
            "atoms": [
              4,
              5
            ]
          }
        ]
      },
      "mol1": {
        "type": "molecule",
        "atoms": [
          {
            "label": "H",
            "location": [
              7.0,
              -7.5,
              0.0
            ]
          },
          {
            "label": "H",
            "location": [
              8.0,
              -7.5,
              0.0
            ]
          }
        ],
        "bonds": [
          {
            "type": 1,
            "atoms": [
              0,
              1
            ]
          }
        ]
      },
      "mol2": {
        "type": "molecule",
        "atoms": [
          {
            "label": "C",
            "location": [
              15.883975,
              -7.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              15.883975,
              -8.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              16.75,
              -8.5,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              17.616025,
              -8.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              17.616025,
              -7.0,
              0.0
            ]
          },
          {
            "label": "C",
            "location": [
              16.75,
              -6.5,
              0.0
            ]
          }
        ],
        "bonds": [
          {
            "type": 1,
            "atoms": [
              5,
              0
            ]
          },
          {
            "type": 1,
            "atoms": [
              0,
              1
            ]
          },
          {
            "type": 1,
            "atoms": [
              1,
              2
            ]
          },
          {
            "type": 1,
            "atoms": [
              2,
              3
            ]
          },
          {
            "type": 1,
            "atoms": [
              3,
              4
            ]
          },
          {
            "type": 1,
            "atoms": [
              4,
              5
            ]
          }
        ]
      }
    }
  },
  "species": [
    {
      "id": "m1",
      "smiles": "C1=CCCCC1",
      "inchikey": "HGCIXCUEYOPUTN-UHFFFAOYSA-N",
      "charge": 0,
      "multiplicity": 1,
      "conformers": [
        {
          "method": "etkdg+mmff94",
          "symbols": [
            "C",
            "C",
            "C",
            "C",
            "C",
            "C",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H"
          ],
          "xyz_angstrom": [
            [
              -0.658356,
              1.402132,
              -0.205212
            ],
            [
              0.678232,
              1.404578,
              -0.093181
            ],
            [
              1.488326,
              0.154333,
              0.090814
            ],
            [
              0.691855,
              -1.123217,
              -0.187263
            ],
            [
              -0.707237,
              -1.048941,
              0.418195
            ],
            [
              -1.486152,
              0.152618,
              -0.123447
            ],
            [
              -1.186744,
              2.339757,
              -0.358775
            ],
            [
              1.219927,
              2.346038,
              -0.139392
            ],
            [
              2.359289,
              0.183322,
              -0.57369
            ],
            [
              1.868547,
              0.137323,
              1.119141
            ],
            [
              1.231112,
              -1.988602,
              0.214219
            ],
            [
              0.609306,
              -1.27499,
              -1.2712
            ],
            [
              -1.259157,
              -1.971754,
              0.206823
            ],
            [
              -0.625209,
              -0.970574,
              1.509936
            ],
            [
              -1.868105,
              -0.074883,
              -1.125779
            ],
            [
              -2.355634,
              0.33286,
              0.518811
            ]
          ]
        }
      ]
    },
    {
      "id": "m2",
      "smiles": "[H][H]",
      "inchikey": "UFHFLCQGNIYNRP-UHFFFAOYSA-N",
      "charge": 0,
      "multiplicity": 1,
      "conformers": [
        {
          "method": "etkdg+uff",
          "symbols": [
            "H",
            "H"
          ],
          "xyz_angstrom": [
            [
              0.354,
              0.0,
              0.0
            ],
            [
              -0.354,
              0.0,
              0.0
            ]
          ]
        }
      ]
    },
    {
      "id": "m3",
      "smiles": "C1CCCCC1",
      "inchikey": "XDTMQSROBMDMFD-UHFFFAOYSA-N",
      "charge": 0,
      "multiplicity": 1,
      "conformers": [
        {
          "method": "etkdg+mmff94",
          "symbols": [
            "C",
            "C",
            "C",
            "C",
            "C",
            "C",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H",
            "H"
          ],
          "xyz_angstrom": [
            [
              -1.166837,
              -0.330181,
              0.787238
            ],
            [
              -0.936456,
              1.124134,
              0.370974
            ],
            [
              0.333597,
              1.330411,
              -0.457154
            ],
            [
              1.408074,
              0.30831,
              -0.112001
            ],
            [
              0.936457,
              -1.124134,
              -0.370972
            ],
            [
              -0.574835,
              -1.308539,
              -0.218084
            ],
            [
              -2.240645,
              -0.51216,
              0.90863
            ],
            [
              -0.708413,
              -0.503607,
              1.76911
            ],
            [
              -0.895866,
              1.745107,
              1.274159
            ],
            [
              -1.795105,
              1.485171,
              -0.20814
            ],
            [
              0.088913,
              1.247256,
              -1.523698
            ],
            [
              0.711889,
              2.347296,
              -0.303024
            ],
            [
              2.3196,
              0.505002,
              -0.68763
            ],
            [
              1.678471,
              0.415657,
              0.94614
            ],
            [
              1.226889,
              -1.433653,
              -1.38233
            ],
            [
              1.464085,
              -1.796624,
              0.316316
            ],
            [
              -0.790845,
              -2.340137,
              0.082018
            ],
            [
              -1.058971,
              -1.159307,
              -1.191552
            ]
          ]
        }
      ]
    }
  ],
  "reactions": [
    {
      "id": "r1",
      "reactants": [
        "m1",
        "m2"
      ],
      "reagents": [],
      "products": [
        "m3"
      ],
      "arrow": "forward",
      "conditions": [
        "Ni catalyst"
      ]
    }
  ],
  "jobs": [],
  "style": {
    "preset": "acs-1996"
  },
  "provenance": {
    "app": "vibe-sketch 0.1.0",
    "created": "2026-10-15T19:38:14Z",
    "edits": [
      {
        "revision": 1,
        "at": "2026-10-15T19:38:16Z",
        "actor": "human",
        "client": "browser",
        "summary": "Edited the drawing"
      },
      {
        "revision": 2,
        "at": "2026-10-15T19:38:16Z",
        "actor": "human",
        "client": "browser",
        "summary": "Cleaned up the drawing"
      },
      {
        "revision": 3,
        "at": "2026-10-15T19:38:17Z",
        "actor": "human",
        "client": "browser",
        "summary": "Generated 3D structures: m1, m2, m3"
      }
    ]
  }
}
