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
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OpenBabel04190901502D
11 11 0 0 0 0 999 V2000
-3.4473 0.9429 0.0000 C 0 0 0 0 0
-2.4971 1.2670 0.0000 C 0 0 0 0 0
-1.7237 0.8839 0.0000 C 0 0 0 0 0
-1.2155 1.6795 0.0000 O 0 0 0 0 0
-2.8948 1.8562 0.0000 C 0 0 0 0 0
-2.1214 1.5027 0.0000 C 0 0 0 0 0
-1.7237 0.0589 0.0000 O 0 0 0 0 0
-1.7089 2.2171 0.0000 O 0 0 0 0 0
-3.6917 1.6427 0.0000 O 0 0 0 0 0
-4.2442 1.1564 0.0000 O 0 0 0 0 0
-2.9096 0.5525 0.0000 O 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 4 1 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
5 9 1 0 0 0 0
1 10 1 0 0 0 0
2 11 1 0 0 0 0
M END
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