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OpenBabel10060918202D
22 25 0 0 0 0 0 0 0 0999 V2000
-9.2250 -1.7000 0.0000 C 0 0 0 0 0
-8.3590 -2.2000 0.0000 C 0 0 0 0 0
-8.3590 -3.2000 0.0000 C 0 0 0 0 0
-9.2250 -3.7000 0.0000 C 0 0 0 0 0
-10.0910 -3.2000 0.0000 C 0 0 0 0 0
-10.0910 -2.2000 0.0000 C 0 0 0 0 0
-11.0421 -3.5090 0.0000 O 0 0 0 0 0
-11.6299 -2.7000 0.0000 C 0 0 0 0 0
-11.0421 -1.8910 0.0000 O 0 0 0 0 0
-7.5771 -1.5765 0.0000 C 0 0 0 0 0
-6.6022 -1.7990 0.0000 C 0 0 0 0 0
-6.1683 -2.7000 0.0000 N 0 0 0 0 0
-6.6022 -3.6010 0.0000 C 0 0 0 0 0
-7.5771 -3.8235 0.0000 C 0 0 0 0 0
-7.7997 -4.7984 0.0000 O 0 0 0 0 0
-5.1774 -2.8342 0.0000 C 0 0 0 0 0
-4.9988 -3.8182 0.0000 C 0 0 0 0 0
-5.8794 -4.2920 0.0000 C 0 0 0 0 0
-7.1006 -4.4679 0.0000 C 0 0 0 0 0
-6.5995 -5.3333 0.0000 C 0 0 0 0 0
-7.0978 -6.2002 0.0000 C 0 0 0 0 0
-6.0137 -5.2830 0.0000 O 0 0 0 0 0
1 2 2 0 0 0
6 1 1 0 0 0
2 3 1 0 0 0
2 10 1 0 0 0
3 4 2 0 0 0
14 3 1 0 0 0
4 5 1 0 0 0
5 6 2 0 0 0
5 7 1 0 0 0
9 6 1 0 0 0
7 8 1 0 0 0
8 9 1 0 0 0
10 11 1 0 0 0
11 12 1 0 0 0
12 13 1 0 0 0
12 16 1 0 0 0
13 14 1 0 0 0
18 13 1 0 0 0
13 19 1 0 0 0
14 15 2 0 0 0
16 17 2 0 0 0
17 18 1 0 0 0
18 22 2 0 0 0
19 20 1 0 0 0
20 21 2 0 0 0
M END
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