ATOM 31
1 C8x C 15.4700 -18.4100
2 C8x C 15.4700 -19.8100
3 C8x C 16.6824 -20.5100
4 C8y C 17.8949 -19.8100
5 C8y C 17.8949 -18.4100
6 C8x C 16.6824 -17.7100
7 C8y C 19.1073 -20.5100
8 C8x C 20.3197 -19.8100
9 C8y C 20.3197 -18.4100
10 C8y C 19.1073 -17.7100
11 N2b N 21.5124 -17.7100
12 N2b N 22.7249 -18.4100
13 C8y C 23.9373 -17.7100
14 S4a S 19.1073 -16.3100
15 O1a O 19.1073 -21.9100
16 C8x C 25.1518 -18.4112
17 C8y C 26.3642 -17.7112
18 C8y C 26.3642 -16.3112
19 C8x C 25.1497 -15.6100
20 C8y C 23.9373 -16.3100
21 C1a C 22.7269 -15.6112
22 C1a C 27.5963 -15.5996
23 S4a S 27.5953 -18.4222
24 O1d O 28.8077 -19.1222 #-
25 O1d O 26.8967 -19.6319
26 O1d O 28.2968 -17.2074
27 O1d O 19.1073 -14.9100 #-
28 O1d O 17.7100 -16.3100
29 O1d O 20.5100 -16.3100
30 Z Na 31.2900 -19.3200 #+
31 Z Na 17.1500 -13.3700 #+
BOND 31
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 10 14 1
16 7 15 1
17 13 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 13 20 1
23 20 21 1
24 18 22 1
25 17 23 1
26 23 24 1
27 23 25 2
28 23 26 2
29 14 27 1
30 14 28 2
31 14 29 2
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