ATOM 22
1 C8y C 25.6153 -20.2238
2 C8x C 25.6153 -21.6231
3 C8x C 26.8271 -22.3226
4 C8y C 28.0389 -21.6231
5 C8y C 28.0389 -20.2238
6 C8x C 26.8271 -19.5243
7 O2x O 29.2506 -22.3226
8 C1z C 30.4623 -21.6231
9 C1y C 30.4623 -20.2238
10 C1y C 29.2506 -19.5243
11 C3b C 24.4036 -19.5243
12 N3a N 23.1900 -18.8247
13 N1c N 29.2506 -18.1250
14 C1a C 31.1654 -22.8357
15 O1a O 31.6768 -19.5227
16 S4a S 30.4644 -17.4243
17 C1a C 28.0409 -17.4267
18 O3c O 29.7662 -16.2129
19 O3c O 31.1654 -18.6381
20 C1b C 31.6786 -16.7259
21 C1a C 32.8891 -17.4274
22 C1a C 31.8698 -21.6271
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 1 11 1
13 11 12 3
14 10 13 1
15 8 14 1
16 9 15 1
17 13 16 1
18 13 17 1
19 16 18 2
20 16 19 2
21 16 20 1
22 20 21 1
23 8 22 1
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