ATOM 13
1 C2y C 27.7408 -21.3755
2 C2x C 27.7408 -22.7774
3 C2x C 28.9548 -23.4784
4 C5x C 30.1690 -22.7774
5 C5x C 30.1690 -21.3755
6 C2x C 28.9548 -20.6746
7 O5x O 31.4018 -23.4894
8 O5x O 31.4018 -20.6636
9 C2b C 26.5266 -20.6746
10 C2b C 25.3295 -21.3659
11 C6a C 24.1405 -20.6795
12 O6a O 22.9477 -21.3684
13 O6a O 24.1403 -19.2729
BOND 13
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 5 8 2
9 1 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 11 13 2
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