1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
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rod
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
2.0570 0.0543 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6002 0.0158 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6002 -0.0158 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0570 -0.0543 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3299 0.4769 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4635 -0.9743 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 0.6895 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4976 0.8223 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4445 -0.9876 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3342 -0.0268 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 3 0
3 4 1 0
1 5 1 0
1 6 1 0
1 7 1 0
4 8 1 0
4 9 1 0
4 10 1 0
M END
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