ATOM 21
1 C1y C 26.7345 -15.6781
2 C1b C 25.5360 -14.9825
3 C1y C 26.7345 -17.0579
4 O2x O 27.9447 -14.9825
5 O2a O 24.3433 -15.6665
6 C1y C 27.9447 -17.7537
7 O1a O 25.5360 -17.6137
8 C1y C 29.1373 -15.6781
9 C1y C 22.8992 -16.5727
10 C1y C 29.1373 -17.0579
11 O1a O 27.9447 -19.1393
12 O1a O 30.3475 -14.9825
13 C1y C 22.8992 -17.9641
14 O2x O 21.6948 -15.8828
15 O1a O 30.3301 -17.7537
16 C1y C 21.6948 -18.6540
17 O1a O 24.0918 -18.6540
18 C1x C 20.4964 -16.5727
19 C1y C 20.4964 -17.9641
20 O1a O 21.7007 -20.0395
21 O1a O 19.2979 -18.6598
BOND 22
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 9 5 1 #Up
9 6 10 1
10 6 11 1 #Up
11 8 12 1 #Either
12 9 13 1
13 9 14 1
14 10 15 1 #Down
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 16 19 1
19 16 20 1 #Up
20 19 21 1 #Down
21 8 10 1
22 18 19 1
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