ATOM 19
1 C8x C 22.6566 -17.0363
2 C8y C 22.6566 -18.4387
3 C8x C 23.8486 -19.1399
4 C8x C 25.1107 -18.4387
5 C8y C 25.1107 -17.0363
6 C8x C 23.8486 -16.3352
7 N2b N 21.4646 -19.1399 #+
8 O3a O 20.2025 -18.4387 #-
9 O3a O 21.4646 -20.5422
10 O2a O 26.3027 -16.3352
11 C8y C 27.5648 -17.0363
12 C8x C 27.5648 -18.4387
13 C8x C 28.7568 -19.1399
14 C8y C 29.9488 -18.4387
15 C8x C 29.9488 -17.0363
16 C8x C 28.7568 -16.3352
17 N2b N 31.1408 -19.1399
18 C0 C 32.3532 -19.8399
19 S0 S 33.5656 -20.5399
BOND 20
1 2 3 1
2 7 9 2
3 3 4 2
4 5 10 1
5 4 5 1
6 5 6 2
7 6 1 1
8 2 7 1
9 1 2 2
10 7 8 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 14 17 1
19 17 18 2
20 18 19 2
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