ATOM 21
1 C8y C 25.3163 -18.8656
2 C8y C 25.3163 -17.4656
3 C8y C 26.5317 -16.7656
4 C8y C 26.5317 -19.5656
5 C8y C 27.7399 -18.8656
6 C8y C 27.7341 -17.4622
7 S2x S 29.0671 -17.0229
8 C8y C 29.8964 -18.1549
9 N5x N 29.0764 -19.2937
10 N1b N 31.2964 -18.1491
11 C1a C 31.9914 -16.7238
12 C1a C 26.5334 -15.3656
13 O1a O 24.1042 -16.7651
14 C1a C 24.1042 -19.5663
15 C1b C 26.5334 -20.9656
16 C8y C 27.7467 -21.6640
17 C8x C 27.7428 -23.0581
18 N5x N 28.9561 -23.7565
19 C8x C 30.1676 -23.0550
20 C8x C 30.1659 -21.6550
21 C8x C 28.9526 -20.9566
BOND 23
1 4 1 2
2 8 10 1
3 10 11 1
4 3 12 1
5 1 2 1
6 2 13 1
7 2 3 2
8 1 14 1
9 3 6 1
10 4 15 1
11 5 4 1
12 15 16 1
13 5 6 2
14 6 7 1
15 7 8 1
16 8 9 2
17 9 5 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 16 1
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