ATOM 21
1 C1b C 22.6915 -14.7547
2 C1c C 23.9018 -15.4565
3 C1b C 21.4814 -15.4565
4 C1b C 25.1185 -14.7547
5 O1a O 23.9018 -16.8535
6 C1b C 20.2646 -14.7547
7 C1b C 25.1185 -13.3514
8 C1b C 19.0545 -15.4565
9 C1b C 23.9084 -12.6562
10 C1b C 17.8442 -14.7547
11 C1b C 22.6981 -13.3514
12 C1b C 16.6339 -15.4565
13 C1b C 21.4878 -12.6562
14 C1b C 15.4173 -14.7547
15 C1b C 20.2712 -13.3514
16 C1b C 14.2007 -15.4565
17 C1b C 19.0609 -12.6562
18 C6a C 12.9904 -14.7547
19 C1a C 17.8442 -13.3514
20 O6a O 12.9967 -13.3514
21 O6a O 11.7801 -15.4565
BOND 20
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Up
5 3 6 1
6 4 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 18 21 2
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