ATOM 20
1 C1y C 26.5251 -21.5842
2 O2x O 25.3666 -22.2548
3 C1y C 27.6836 -22.2605
4 S2a S 26.5074 -20.1317
5 C1y C 25.3666 -23.5837
6 C1y C 27.6776 -23.5895
7 O1a O 28.8363 -21.5960
8 C2c C 26.5191 -18.7969
9 C1y C 26.5191 -24.2600
10 C1b C 24.2021 -24.2777
11 O1a O 28.8303 -24.2718
12 N2b N 27.6719 -18.1147
13 R R 25.2490 -18.0676
14 O1a O 26.5074 -25.6007
15 O1a O 23.0378 -23.6249
16 O2a O 28.8245 -17.4384
17 S4a S 30.0829 -18.3852
18 O1d O 31.1650 -17.1561
19 O1d O 28.9715 -19.5437
20 O1d O 31.3883 -19.2025
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 16 17 1
17 17 18 2
18 17 19 2
19 17 20 1
20 6 9 1
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