ATOM 21
1 C1y C 19.7385 -15.8888
2 C1y C 20.9290 -16.5676
3 C1y C 18.5664 -16.5800
4 C1x C 19.7262 -14.5134
5 C1y C 22.1135 -15.8767
6 C1x C 20.9354 -17.9430
7 C1y C 18.5664 -17.9370
8 C1x C 17.3882 -15.9074
9 C1x C 20.9167 -13.8225
10 C1y C 22.1197 -14.5010
11 C1x C 19.7509 -18.6156
12 C1x C 17.3882 -18.6216
13 C1x C 16.2284 -16.5800
14 C1y C 16.2284 -17.9370
15 O7a O 15.0627 -18.6032
16 C7a C 13.9030 -17.9247
17 O6a O 13.9091 -16.5800
18 R R 12.7370 -18.5909
19 C1x C 24.4726 -15.8193
20 C1x C 24.4788 -14.5117
21 C1x C 23.3023 -13.8254
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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