/usr/share/kalzium/data/molecules/water.cml is in kalzium-data 4:17.12.3-0ubuntu1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 | <molecule>
<atomArray>
<atom id="a1" elementType="O" x3="-0.230656" y3="2.711862" z3="0.024653"/>
<atom id="a2" elementType="H" x3="0.735610" y3="2.673645" z3="-0.031217"/>
<atom id="a3" elementType="H" x3="-0.530164" y3="2.191793" z3="-0.735659"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
</bondArray>
</molecule>
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