ATOM 22
1 C1x C 26.5183 -17.2615
2 C1y C 26.5183 -18.6615
3 C1x C 27.7348 -19.3651
4 C5x C 28.9370 -18.6615
5 C2y C 28.9370 -17.2615
6 C2y C 27.7348 -16.5649
7 C1y C 25.3052 -19.3658
8 C1x C 24.0942 -18.6593
9 C1x C 22.8811 -19.3634
10 C1x C 22.8817 -20.7636
11 S2x S 24.0957 -21.4595
12 C1x C 25.3088 -20.7623
13 O1a O 27.7365 -15.1647
14 C2c C 30.1510 -16.5658
15 C1b C 31.3641 -17.2632
16 C1b C 32.5780 -16.5676
17 C1a C 33.7911 -17.2650
18 N2b N 30.1522 -15.1656
19 O5x O 30.1510 -19.3643
20 O2a O 31.3661 -14.4630
21 C1b C 32.5790 -15.1674
22 C1a C 33.7931 -14.4648
BOND 23
1 9 10 1
2 10 11 1
3 11 12 1
4 12 7 1
5 6 1 1
6 6 13 1
7 5 14 1
8 2 7 1
9 14 15 1
10 1 2 1
11 15 16 1
12 2 3 1
13 16 17 1
14 3 4 1
15 14 18 2
16 4 5 1
17 4 19 2
18 5 6 2
19 18 20 1
20 7 8 1
21 20 21 1
22 8 9 1
23 21 22 1
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