ATOM 21
1 C8x C 27.5402 -18.3612
2 C8x C 27.5402 -19.7599
3 C8x C 28.7545 -20.4593
4 C8y C 28.7545 -17.6618
5 C8y C 29.9617 -18.3612
6 C8y C 29.9557 -19.7599
7 C8x C 31.1641 -20.4646
8 C8x C 32.3784 -19.7703
9 C8x C 32.3845 -18.3715
10 C8y C 31.1761 -17.6670
11 N1b N 28.7413 -16.2630
12 C8y C 27.5261 -15.5636
13 C8x C 27.5243 -14.1617
14 C8x C 26.3091 -13.4623
15 C8x C 25.0960 -14.1649
16 C8x C 25.0979 -15.5669
17 C8x C 26.3129 -16.2662
18 S4a S 31.1643 -16.2630
19 O1d O 29.7586 -16.2137
20 O1d O 32.5630 -16.2073
21 O1d O 31.1573 -14.8643
BOND 23
1 4 11 1
2 1 2 2
3 11 12 1
4 2 3 1
5 3 6 2
6 5 4 2
7 4 1 1
8 5 6 1
9 12 13 2
10 13 14 1
11 14 15 2
12 15 16 1
13 16 17 2
14 17 12 1
15 6 7 1
16 10 18 1
17 7 8 2
18 18 19 2
19 8 9 1
20 18 20 2
21 9 10 2
22 18 21 1
23 10 5 1
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