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"C",
"C",
"C",
"C",
"O",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H"
],
"bond_indices": [
[
0,
1
],
... |
[
6,
6,
7,
6,
6,
6,
7,
1,
1,
1,
1,
1,
1,
1,
1
] | [
[
1.841796875,
0.341796875,
0.049072265625
],
[
0.45263671875,
0.07049560546875,
-0.498291015625
],
[
0.09307861328125,
-1.3740234375,
-0.457275390625
],
[
-1.2919921875,
-0.9814453125,
-0.09979248046875
],
[
-0.7421875,
0.3505859375,
0.446... | {
"qm9_index": null,
"mol_id": "qm7_06847",
"sdf_name": "qm7_06847",
"atom_symbols": [
"C",
"C",
"N",
"C",
"C",
"C",
"N",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H"
],
"bond_indices": [
[
0,
1
],
[
0,
7
],
[
... |
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