ATOM 21
1 C8y C 15.4000 -18.1300
2 C8y C 15.4000 -19.5300
3 C8y C 16.6124 -20.2300
4 N5x N 17.8249 -19.5300
5 C8y C 17.8249 -18.1300
6 N5x N 16.6124 -17.4300
7 N1b N 19.0624 -17.4300
8 C1b C 20.2749 -18.1300
9 C1a C 21.4873 -17.4300
10 C1a C 14.1876 -17.4300
11 C1b C 14.1876 -20.2300
12 C1b C 12.9751 -19.5300
13 C1b C 11.7627 -20.2300
14 C1a C 10.5503 -19.5300
15 O2a O 16.6124 -21.6298
16 S4a S 17.8080 -22.3202
17 N1c N 19.0205 -23.0202
18 O3c O 18.5080 -21.1078
19 O3c O 17.1080 -23.5326
20 C1a C 20.2431 -22.3141
21 C1a C 19.0204 -24.4299
BOND 21
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 5 7 1
8 7 8 1
9 8 9 1
10 1 10 1
11 2 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 3 15 1
16 15 16 1
17 16 17 1
18 16 18 2
19 16 19 2
20 17 20 1
21 17 21 1
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