ATOM 22
1 C8y C 28.4200 -16.4500
2 C8y C 28.4200 -17.9200
3 C8y C 29.6800 -18.6200
4 C8y C 30.8700 -17.9200
5 C8x C 30.8700 -16.4500
6 C8y C 29.6800 -15.7500
7 C1a C 29.6800 -14.3500
8 C1a C 29.6800 -20.0200
9 C1a C 27.2300 -18.6200
10 O7a O 27.2300 -15.7500
11 C7a C 26.0400 -16.4500
12 C1a C 24.8500 -15.7500
13 O6a O 26.0400 -17.9200
14 O2a O 32.1300 -18.6200
15 C1b C 33.3200 -17.9200
16 C1c C 34.5100 -18.6200
17 C1b C 35.7000 -17.9200
18 O1a O 34.5100 -20.0200
19 N1b N 36.8900 -18.6200
20 C1c C 38.0800 -17.9200
21 C1a C 39.3400 -18.6200
22 C1a C 38.0800 -16.4500
BOND 22
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 6 7 1
8 3 8 1
9 2 9 1
10 1 10 1
11 10 11 1
12 11 12 1
13 11 13 2
14 4 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 16 18 1
19 17 19 1
20 19 20 1
21 20 21 1
22 20 22 1
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