ATOM 22
1 C1y C 28.0196 -15.0143
2 C1y C 29.2293 -15.7135
3 C1y C 26.8161 -15.7199
4 C1x C 28.0069 -13.6091
5 C1y C 30.4454 -15.0017
6 C1x C 29.2420 -17.1124
7 C1y C 26.8161 -17.1061
8 C1x C 25.6189 -15.0330
9 C1x C 29.2231 -12.9033
10 C1y C 30.4517 -13.5964
11 C1x C 28.0322 -17.7992
12 C1x C 25.6189 -17.8054
13 C1x C 24.4280 -15.7199
14 C1y C 24.4280 -17.1061
15 O2a O 23.2372 -17.7866
16 S4a S 21.7314 -17.7613
17 O1d O 20.2876 -17.7613
18 O1d O 21.6676 -16.3940
19 O1d O 21.7314 -19.1722
20 C1x C 32.8703 -15.0125
21 C1x C 32.8766 -13.6073
22 C1x C 31.6673 -12.9019
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 12 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 16 18 2
18 16 19 2
19 7 11 1
20 9 10 1
21 13 14 1
22 5 20 1
23 20 21 1
24 21 22 1
25 10 22 1
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