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 30
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Ketcher 4252314342D 1 1.00000 0.00000 0
12 13 0 0 1 0 0 0 0 0999 V2000
9.0026 -4.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0026 -5.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0512 -4.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4649 -5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0512 -6.0277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4644 -5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9650 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4643 -5.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9650 -6.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 -6.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7427 -6.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
2 5 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
6 11 1 1 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
5 12 1 0 0 0 0
M END
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