ATOM 27
1 C8x C 31.7902 -16.6857
2 C8y C 30.5965 -17.3497
3 C8y C 30.5743 -18.7142
4 C8y C 31.7423 -19.4157
5 C8x C 32.9989 -18.7515
6 C8y C 32.9547 -17.3931
7 O2a O 29.4166 -19.3728
8 O1a O 31.7198 -20.7777
9 O1a O 29.4259 -16.6452
10 C6a C 34.1491 -16.7305
11 O6a O 35.3183 -17.4371
12 O6a O 34.1745 -15.3686
13 S4a S 21.8963 -19.2065
14 O1d O 20.6907 -18.0818
15 O1d O 20.9563 -20.3017
16 O2a O 23.3441 -20.2559
17 O1d O 22.8049 -18.1560 #-
18 C1y C 25.6954 -20.2561
19 C1y C 25.6954 -21.6255
20 C1y C 26.8804 -22.3031
21 C1y C 28.0584 -21.6255
22 C1y C 28.0584 -20.2561
23 O2x O 26.8804 -19.5785
24 C1b C 24.5208 -19.5780
25 O1a O 24.5208 -22.3036
26 O1a O 26.8822 -23.6653
27 O1a O 29.2409 -22.3021
BOND 28
1 13 14 2
2 3 7 1
3 13 15 2
4 1 2 2
5 13 16 1
6 4 8 1
7 13 17 1
8 2 3 1
9 2 9 1
10 3 4 2
11 6 10 1
12 4 5 1
13 10 11 1
14 18 19 1
15 19 20 1
16 20 21 1
17 21 22 1
18 22 23 1
19 23 18 1
20 5 6 2
21 18 24 1 #Up
22 10 12 2
23 19 25 1 #Down
24 6 1 1
25 20 26 1 #Up
26 21 27 1 #Down
27 22 7 1 #Up
28 24 16 1
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