ATOM 21
1 C1y C 29.2255 -16.8241
2 C5x C 29.2255 -18.2282
3 N1y N 30.6297 -18.2282
4 C1y C 30.6297 -16.8241
5 C1y C 31.9635 -18.6494
6 C1z C 32.8059 -17.5260
7 S2x S 31.9635 -16.4027
8 C1a C 33.7889 -18.5089
9 C1a C 33.7889 -16.5431
10 C6a C 32.4550 -19.9832
11 O6a O 33.8590 -19.9832
12 O6a O 31.6124 -21.1064
13 N1b N 28.0320 -16.1219
14 C5a C 26.8385 -16.8241
15 O5x O 28.0320 -18.9301
16 O5a O 26.8385 -18.2282
17 C1b C 25.6197 -16.1268
18 S2a S 24.4279 -16.8218
19 C1b C 23.2062 -16.0919
20 C2b C 21.9943 -16.7915
21 C2a C 20.7825 -16.0919
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 5 6 1
7 6 7 1
8 4 7 1
9 6 8 1
10 6 9 1
11 5 10 1 #Down
12 10 11 1
13 10 12 2
14 1 13 1 #Up
15 13 14 1
16 2 15 2
17 14 16 2
18 14 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 2
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