ATOM 27
1 C1y C 22.2890 -16.6598
2 O2x O 21.1400 -17.3189
3 S2a S 22.2716 -15.2308
4 C1y C 23.4264 -17.3249
5 C1y C 21.1400 -18.6371
6 C2c C 22.2774 -13.9069
7 C1y C 23.4206 -18.6430
8 O1a O 24.5696 -16.6714
9 C1y C 22.2833 -19.3020
10 C1b C 19.9968 -19.3196
11 C1b C 21.0233 -13.1894
12 N2b N 23.4147 -13.2361
13 O1a O 24.5637 -19.3137
14 O1a O 22.2716 -20.6261
15 O1a O 18.8420 -18.6663
16 C1b C 19.7635 -13.9010
17 O2a O 24.5580 -12.5771
18 C1b C 18.5095 -13.1777
19 S4a S 25.7944 -13.5044
20 C1b C 17.2554 -13.8953
21 O1d O 26.8676 -12.2912
22 O1d O 24.6980 -14.6417
23 O1d O 27.0835 -14.3093
24 S4a S 16.0016 -13.1720
25 C1a C 14.7475 -13.9010
26 O1d O 17.0339 -12.1395
27 O1d O 14.9691 -12.1395
BOND 27
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 6 12 2
12 7 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 11 16 1
16 12 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 2
21 19 22 2
22 19 23 1
23 20 24 1
24 24 25 1
25 24 26 2
26 24 27 2
27 7 9 1
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