ATOM 22
1 C1x C 27.1507 -18.3306
2 C1y C 27.1507 -19.7298
3 C1x C 28.3624 -20.4294
4 C2y C 29.5742 -19.7298
5 C2y C 29.5742 -18.3306
6 C5x C 28.3624 -17.6310
7 O5x O 28.3624 -16.2320
8 C2c C 30.8110 -17.6310
9 C1b C 32.0228 -18.3306
10 C1b C 33.2345 -17.6310
11 C1a C 34.4462 -18.3306
12 N2b N 30.8172 -16.2321
13 O2a O 32.0003 -15.5322
14 C1b C 33.2121 -16.2318
15 C1a C 34.4238 -15.5322
16 C1b C 25.9389 -20.4294
17 C1c C 24.7271 -19.7298
18 S2a S 23.5154 -20.4294
19 C1b C 22.3037 -19.7298
20 C1a C 21.0919 -20.4294
21 C1a C 24.7271 -18.3308
22 O1a O 30.8046 -20.4404
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 6 7 2
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 8 12 2
13 12 13 1
14 13 14 1
15 14 15 1
16 2 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 17 21 1
22 4 22 1
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