ATOM 24
1 S4a S 38.2633 -19.5954
2 O1d O 38.2758 -18.1936 #-
3 O1d O 39.6652 -19.6010
4 O1d O 38.2647 -20.9975
5 C1b C 36.8613 -19.5899
6 C1b C 35.6650 -18.8773
7 C1b C 34.4459 -19.5679
8 N1d N 33.2391 -18.8569 #+
9 C1b C 32.0275 -19.5544
10 C1b C 30.8157 -18.8498
11 C1b C 29.6038 -19.5473
12 C1b C 28.3922 -18.8427
13 C1b C 27.1803 -19.5402
14 C1b C 25.9756 -18.8358
15 C1b C 24.7638 -19.5332
16 C1b C 23.5521 -18.8287
17 C1b C 22.3403 -19.5261
18 C1b C 21.1285 -18.8215
19 C1b C 19.9168 -19.5190
20 C1b C 18.7050 -18.8146
21 C1b C 17.4931 -19.5121
22 C1a C 16.2884 -18.8075
23 C1a C 34.4581 -17.5923
24 C1a C 32.1257 -17.6829
BOND 23
1 1 2 1
2 12 13 1
3 6 7 1
4 13 14 1
5 1 4 2
6 14 15 1
7 7 8 1
8 15 16 1
9 16 17 1
10 8 9 1
11 17 18 1
12 1 5 1
13 18 19 1
14 9 10 1
15 19 20 1
16 1 3 2
17 20 21 1
18 10 11 1
19 21 22 1
20 5 6 1
21 8 23 1
22 11 12 1
23 8 24 1
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