ATOM 22
1 C8x C 16.5840 -14.9678
2 C8y C 16.5840 -16.3732
3 C8x C 17.8489 -17.0759
4 C8y C 19.0435 -16.3732
5 C8y C 19.0435 -14.9678
6 C8x C 17.8489 -14.2651
7 N5x N 20.3083 -16.7948
8 C8y C 21.1516 -15.6705
9 N4x N 20.3083 -14.4759
10 S4a S 15.3894 -17.0759
11 C8y C 14.1948 -16.3732
12 N1b N 22.5570 -15.6705
13 C7a C 23.2597 -16.8651
14 O7a O 24.7353 -16.8651
15 C1a C 25.4380 -18.0597
16 O6a O 22.5570 -18.0597
17 C8x C 14.1948 -14.9678
18 C8x C 13.0002 -14.2651
19 C8x C 11.8056 -14.9678
20 C8x C 11.8056 -16.3732
21 C8x C 13.0002 -17.0759
22 O3c O 15.3894 -18.4759
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 2 10 1
12 10 11 1
13 8 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 13 16 2
18 11 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 11 21 1
24 10 22 2
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