Mol:
-5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 -7.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8250 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6910 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6910 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8250 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9590 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9590 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
2 3 2 0 0 0
3 4 1 0 0 0
4 5 2 0 0 0
5 6 1 0 0 0
6 1 2 0 0 0
7 8 1 0 0 0
8 9 2 0 0 0
9 10 1 0 0 0
10 11 2 0 0 0
11 12 1 0 0 0
12 7 2 0 0 0
11 13 1 0 0 0
13 14 1 0 0 0
13 15 1 0 0 0
16 17 1 0 0 0
17 18 2 0 0 0
18 19 1 0 0 0
19 20 2 0 0 0
20 21 1 0 0 0
21 16 2 0 0 0
M END
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