1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
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benzene
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
1.2930 0.5342 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1839 1.3868 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1091 0.8526 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2930 -0.5342 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1839 -1.3868 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1091 -0.8526 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2934 0.9475 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3262 2.4598 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 1.5122 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2934 -0.9475 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -2.4598 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9672 -1.5122 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
2 8 1 0
3 9 1 0
4 10 1 0
5 11 1 0
6 12 1 0
M END
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