ATOM 21
1 C1y C 25.9733 -27.3407
2 C1y C 27.1970 -28.0384
3 C1y C 24.7685 -28.0511
4 C1x C 25.9606 -25.9269
5 C1y C 28.4145 -27.3282
6 C1x C 27.2035 -29.4522
7 C1y C 24.7685 -29.4460
8 C1x C 23.5574 -27.3598
9 C1x C 27.1843 -25.2167
10 C1y C 28.4209 -25.9142
11 C1x C 25.9860 -30.1435
12 C1x C 23.5574 -30.1497
13 C1x C 22.3653 -28.0511
14 C1y C 22.3653 -29.4460
15 O7a O 21.1670 -30.1308
16 C7a C 19.9750 -29.4333
17 O6a O 19.9813 -28.0511
18 R R 18.7765 -30.1181
19 C1x C 30.8394 -27.2692
20 C1x C 30.8458 -25.9252
21 C1x C 29.6365 -25.2197
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 12 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 7 11 1
19 9 10 1
20 13 14 1
21 5 19 1
22 19 20 1
23 20 21 1
24 10 21 1
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