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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OpenBabel10050900062D
13 12 0 0 0 0 0 0 0 0999 V2000
-11.6384 -6.0768 0.0000 C 0 0 0 0 0
-11.6423 -3.0773 0.0000 C 0 0 0 0 0
-9.0427 -4.5736 0.0000 C 0 0 0 0 0
-10.7750 -4.5750 0.0000 C 0 0 0 0 0
-10.7750 -3.5750 0.0000 C 0 0 0 0 0
-9.9084 -5.0741 0.0000 C 0 0 0 0 0
-11.6400 -5.0768 0.0000 C 0 0 0 0 0
-9.0427 -3.5736 0.0000 O 0 0 0 0 0
-8.1761 -5.0727 0.0000 F 0 0 0 0 0
-10.7718 -6.5759 0.0000 O 0 0 0 0 0
-12.5033 -6.5787 0.0000 F 0 0 0 0 0
-11.6423 -2.0773 0.0000 F 0 0 0 0 0
-12.5073 -3.5791 0.0000 O 0 0 0 0 0
7 1 1 0 0 0
1 10 1 0 0 0
1 11 1 0 0 0
5 2 1 0 0 0
2 12 1 0 0 0
2 13 1 0 0 0
6 3 1 0 0 0
3 8 1 0 0 0
3 9 1 0 0 0
4 7 1 0 0 0
4 6 1 0 0 0
4 5 1 0 0 0
M END
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