ATOM 29
1 C8x C 10.0800 -16.1700
2 C8y C 10.0800 -17.5700
3 C8x C 11.2924 -18.2700
4 C8x C 12.5049 -17.5700
5 C8y C 12.5049 -16.1700
6 C8x C 11.2924 -15.4700
7 N2b N 13.7424 -15.4700
8 N2b N 14.9549 -16.1700
9 C8y C 16.1673 -15.4700
10 C8y C 17.3818 -16.1712
11 C8y C 18.5942 -15.4712
12 C8x C 18.5942 -14.0712
13 C8x C 17.3797 -13.3700
14 C8y C 16.1673 -14.0700
15 C8x C 17.3818 -17.5712
16 C8x C 18.5942 -18.2712
17 C8y C 19.8066 -17.5712
18 C8x C 19.8066 -16.1712
19 O1a O 14.9569 -13.3712
20 S4a S 21.0211 -18.2723
21 O1d O 22.2335 -18.9723 #-
22 O1d O 20.3170 -19.4921
23 O1d O 21.7167 -17.0673
24 S4a S 8.8676 -18.2700
25 O1d O 7.5851 -18.9700 #-
26 O1d O 8.0616 -17.1414
27 O1d O 9.6887 -19.4198
28 Z Na 5.3200 -19.1100 #+
29 Z Na 24.2900 -18.7600 #+
BOND 29
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 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 10 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 11 18 1
21 14 19 1
22 17 20 1
23 20 21 1
24 20 22 2
25 20 23 2
26 2 24 1
27 24 25 1
28 24 26 2
29 24 27 2
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