ATOM 30
1 C1y C 25.8747 -7.4324
2 C5x C 25.8747 -8.8318
3 N1y N 27.2741 -8.8318
4 C1y C 27.2741 -7.4324
5 C1y C 28.6037 -9.2516
6 C1z C 29.4432 -8.1322
7 S2x S 28.6037 -7.0127
8 C1a C 30.4228 -9.1117
9 C1a C 30.4228 -7.1525
10 C6a C 29.0934 -10.6509
11 O6a O 30.4927 -10.6509 #-
12 O6a O 28.2538 -11.7704
13 N1b N 24.6853 -6.7328
14 C5a C 23.4959 -7.4324
15 O5x O 24.6853 -9.5315
16 O5a O 23.4959 -8.8318
17 C1c C 22.2365 -6.7328
18 C8y C 22.2365 -5.3333
19 C8x C 23.4959 -4.6337
20 C8x C 23.4959 -3.2343
21 C8x C 22.2365 -2.5345
22 C8x C 21.0469 -3.2343
23 C8x C 21.0469 -4.6337
24 N1b N 21.0469 -7.4324
25 S4a S 19.8575 -6.7328
26 O1d O 18.6450 -6.0328 #-
27 O1d O 20.5734 -5.5038
28 O1d O 19.1641 -7.9231
29 Z Na 32.0464 -10.6233 #+
30 Z Na 16.6600 -6.0200 #+
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 5 6 1
7 6 7 1
8 4 7 1
9 6 8 1
10 6 9 1
11 5 10 1 #Down
12 10 11 1
13 10 12 2
14 1 13 1 #Up
15 13 14 1
16 2 15 2
17 14 16 2
18 14 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 24 25 1
27 17 24 1 #Up
28 25 26 1
29 25 27 2
30 25 28 2
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