ATOM 25
1 C8x C 31.8131 -18.3055
2 C8x C 31.8011 -16.9041
3 C8x C 30.5777 -16.2101
4 C8x C 30.6016 -19.0130
5 C8y C 29.3922 -18.3261
6 C8y C 29.3863 -16.9246
7 S2x S 28.1685 -16.2255
8 C8y C 28.1805 -19.0284
9 C8y C 26.9628 -18.3364
10 C8y C 26.9637 -16.9384
11 C8y C 25.7523 -16.2353
12 C8x C 24.5404 -16.9373
13 C8x C 24.5397 -18.3351
14 C8y C 25.7509 -19.0311
15 O5x O 28.1864 -20.4300
16 N1b N 25.7503 -20.4327
17 C1a C 25.7531 -14.8339
18 C1b C 24.5352 -21.1361
19 C1b C 23.3207 -20.4313
20 N1c N 22.1058 -21.1349
21 C1b C 20.8986 -20.4300
22 C1b C 22.1051 -22.5363
23 C1a C 20.8969 -23.2330
24 C1a C 19.6834 -21.1265
25 X Cl 28.7000 -22.8200
BOND 26
1 3 6 2
2 9 10 2
3 10 11 1
4 11 12 2
5 12 13 1
6 13 14 2
7 14 9 1
8 5 6 1
9 8 15 2
10 6 7 1
11 14 16 1
12 7 10 1
13 11 17 1
14 9 8 1
15 16 18 1
16 8 5 1
17 18 19 1
18 5 4 2
19 19 20 1
20 4 1 1
21 20 21 1
22 20 22 1
23 1 2 2
24 22 23 1
25 2 3 1
26 21 24 1
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