ATOM 28
1 C1y C 11.9331 -20.5363
2 O2x O 13.1423 -19.8352
3 C1y C 11.9331 -21.9255
4 C6a C 10.8783 -19.6166
5 C1y C 14.3643 -20.5298
6 C1y C 13.1423 -22.6329
7 O1a O 10.7304 -22.6329
8 O6a O 11.1484 -18.2402
9 O6a O 9.5535 -20.0732
10 C1y C 14.3643 -21.9255
11 O1a O 13.1423 -24.0287
12 O1a O 15.5799 -22.6329
13 C1y C 19.6403 -19.0832
14 C1y C 19.6403 -17.7289
15 C1y C 18.4601 -19.7540
16 N1b N 21.5507 -20.1347
17 O2x O 18.4601 -17.0519
18 O2a O 20.8081 -17.0519
19 C1y C 17.2860 -19.0832
20 O1a O 18.4601 -21.1021
21 C5a C 21.4878 -21.5517
22 C1y C 17.2860 -17.7289
23 R R 21.9822 -17.7289
24 C1a C 20.4522 -22.2289
25 O5a O 22.6618 -22.2227
26 C1b C 16.1308 -17.0519
27 O1a O 15.0994 -17.9214
28 O2a O 16.0666 -19.7906
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 1 #Up
11 10 12 1 #Down
12 6 10 1
13 13 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 15 20 1 #Up
20 16 21 1
21 17 22 1
22 18 23 1
23 21 24 1
24 21 25 2
25 22 26 1 #Up
26 26 27 1
27 19 22 1
28 19 28 1 #Down
29 5 28 1 #Up
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