ATOM 31
1 C1y C 22.9847 -16.3472
2 O2x O 21.8339 -17.0132
3 C1y C 24.1353 -17.0189
4 S2a S 22.9671 -14.9044
5 C1y C 21.8339 -18.3333
6 C1y C 24.1294 -18.3392
7 O1a O 25.2804 -16.3589
8 C2c C 22.9787 -13.5785
9 C1y C 22.9787 -19.0051
10 C1b C 20.6773 -19.0227
11 O1a O 25.2745 -19.0168
12 N2b N 24.1237 -12.9010
13 C1b C 21.7171 -12.8542
14 O1a O 22.9671 -20.3368
15 O1a O 19.5208 -18.3742
16 O2a O 25.2687 -12.2292
17 C1b C 20.4554 -13.5726
18 S4a S 26.5187 -13.1696
19 C1b C 19.1819 -12.8483
20 O1d O 27.5935 -11.9488
21 O1d O 25.4146 -14.3202
22 O1d O 27.8155 -13.9815
23 C1b C 17.9201 -13.5668
24 C1b C 16.6585 -12.8249
25 C1b C 15.4587 -13.5051
26 C1b C 14.2381 -12.7873
27 C1b C 13.0271 -13.4732
28 C1b C 11.8058 -12.7551
29 S4a S 10.6142 -13.4305
30 C1a C 9.4355 -12.7374
31 O1d O 10.6727 -14.8439
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 1
17 16 18 1
18 17 19 1
19 18 20 2
20 18 21 2
21 18 22 1
22 19 23 1
23 23 24 1
24 6 9 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 29 31 2
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