ATOM 23
1 C1y C 21.0645 -16.5596
2 O2x O 19.9115 -17.2235
3 S2a S 21.0471 -15.1154
4 C1y C 22.2177 -17.2294
5 C1y C 19.9115 -18.5572
6 C2c C 21.0528 -13.7876
7 C1y C 22.2118 -18.5629
8 O1a O 23.3649 -16.5712
9 C1y C 21.0588 -19.2211
10 C1b C 18.7467 -19.2385
11 N2b N 22.2060 -13.1119
12 C1b C 19.7890 -13.0595
13 O1a O 23.3590 -19.2327
14 O1a O 21.0471 -20.5605
15 O1a O 17.5935 -18.5862
16 O2a O 23.3533 -12.4306
17 C1b C 18.5195 -13.7759
18 S4a S 24.5995 -13.3740
19 C2b C 17.2557 -13.0479
20 O1d O 25.6769 -12.1511
21 O1d O 23.4930 -14.5272
22 O1d O 25.9099 -14.1894
23 C2a C 16.0444 -13.7467
BOND 23
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 2
11 6 12 1
12 7 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 11 16 1
16 12 17 1
17 16 18 1
18 17 19 1
19 18 20 2
20 18 21 2
21 18 22 1
22 19 23 2
23 7 9 1
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