ATOM 21
1 C8y C 28.0570 -16.4097
2 C8y C 29.2750 -17.1033
3 N1b N 26.8448 -17.1150
4 N5x N 28.0454 -15.0112
5 C8y C 30.4871 -16.3982
6 O2a O 29.2691 -18.5020
7 S4a S 25.6327 -16.4156
8 C8x C 29.2575 -14.3002
9 N5x N 30.5455 -14.9936
10 O2a O 31.6877 -17.0917
11 C1a C 28.0570 -19.1954
12 C8y C 24.4206 -17.1266
13 O3c O 24.4146 -15.7163
14 O3c O 26.8448 -15.7046
15 C1a C 31.6877 -18.4844
16 C8x C 24.4322 -18.5253
17 C8x C 23.2025 -16.4390
18 C8x C 23.2199 -19.2363
19 C8x C 22.0019 -17.1383
20 C8y C 22.0079 -18.5427
21 N1a N 20.7898 -19.2363
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 2
13 7 14 2
14 10 15 1
15 12 16 2
16 12 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 8 9 1
22 19 20 1
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