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 31 32 33 34 35 36 37
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OpenBabel10300912032D
16 16 0 0 0 0 0 0 0 0999 V2000
-10.8000 -5.0750 0.0000 C 0 0 0 0 0
-9.8000 -5.0742 0.0000 C 0 0 0 0 0
-9.7992 -6.0742 0.0000 C 0 0 0 0 0
-10.7992 -6.0750 0.0000 C 0 0 0 0 0
-11.5077 -4.3685 0.0000 C 0 0 0 0 0
-9.0935 -4.3665 0.0000 C 0 0 0 0 0
-9.0915 -6.7807 0.0000 C 0 0 0 0 0
-11.5057 -6.7827 0.0000 C 0 0 0 0 0
-12.5057 -6.7851 0.0000 C 0 0 0 0 0
-11.5042 -7.7827 0.0000 O 0 0 0 0 0
-8.0915 -6.7800 0.0000 C 0 0 0 0 0
-9.0899 -7.7807 0.0000 O 0 0 0 0 0
-8.0935 -4.3657 0.0000 C 0 0 0 0 0
-9.0935 -3.3665 0.0000 O 0 0 0 0 0
-11.5077 -3.3685 0.0000 O 0 0 0 0 0
-12.5077 -4.3708 0.0000 C 0 0 0 0 0
1 2 2 0 0 0
4 1 1 0 0 0
1 5 1 0 0 0
2 3 1 0 0 0
2 6 1 0 0 0
3 4 2 0 0 0
3 7 1 0 0 0
4 8 1 0 0 0
5 15 1 0 0 0
5 16 1 0 0 0
6 13 1 0 0 0
6 14 1 0 0 0
7 11 1 0 0 0
7 12 1 0 0 0
8 9 1 0 0 0
8 10 1 0 0 0
M END
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