ATOM 20
1 C8x C 32.3787 -19.8801
2 C8y C 31.5323 -18.7516
3 C8y C 31.8850 -17.4115
4 C8x C 33.1545 -16.7768
5 C8x C 33.7893 -19.8801
6 C8y C 34.3536 -17.4115
7 C8x C 34.6357 -18.8222
8 C8y C 30.6859 -16.6357
9 C8x C 29.6280 -17.5526
10 C8y C 30.1217 -18.7516
11 C1b C 29.3458 -19.8801
12 S4a S 30.6859 -15.2251
13 C1c C 35.5526 -16.5652
14 C1a C 36.7516 -17.2705
15 C1a C 35.5526 -15.1545
16 O1d O 30.6859 -13.8144 #-
17 O1d O 29.2753 -15.2251
18 O1d O 32.0966 -15.2251
19 C1a C 27.9395 -19.9103
20 Z Na 28.5700 -13.8144 #+
BOND 20
1 3 4 2
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 3 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 10 11 1
13 8 12 1
14 6 13 1
15 13 14 1
16 13 15 1
17 12 16 1
18 12 17 2
19 12 18 2
20 11 19 1
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