ATOM 23
1 C8x C 19.8235 -18.4776
2 C8x C 19.8235 -19.8781
3 C8y C 21.0392 -20.5783
4 C8x C 22.2479 -19.8781
5 C8x C 22.2479 -18.4776
6 C8y C 21.0392 -17.7774
7 O1a O 21.0258 -16.3770
8 N1b N 21.0958 -21.9788
9 C1a C 22.2353 -22.6790
10 C8x C 26.4154 -18.5484
11 C8x C 26.4154 -19.9489
12 C8y C 27.6312 -20.6491
13 C8x C 28.8398 -19.9489
14 C8x C 28.8398 -18.5484
15 C8y C 27.6312 -17.8482
16 O1a O 27.6178 -16.4478
17 N1b N 27.6178 -22.0495
18 C1a C 28.8272 -22.7498
19 S4a S 34.7685 -19.5386
20 O1d O 34.7616 -18.1381
21 O1d O 33.3681 -19.5386
22 O1d O 36.1690 -19.5386
23 O1d O 34.7616 -20.9390
BOND 22
1 3 4 2
2 4 5 1
3 5 6 2
4 6 1 1
5 6 7 1
6 3 8 1
7 8 9 1
8 1 2 2
9 2 3 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 10 1
16 15 16 1
17 12 17 1
18 17 18 1
19 19 20 2
20 19 21 1
21 19 22 1
22 19 23 2
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