ATOM 13
1 C8y C 24.1275 -16.2242
2 C8x C 22.9045 -15.5206
3 C8x C 24.1275 -17.6351
4 C8x C 21.6884 -16.2242
5 N5x N 22.9045 -18.3388
6 C8x C 21.6884 -17.6351
7 C5a C 25.3624 -15.5400
8 N1b N 26.5749 -16.2400
9 C1b C 27.7873 -15.5400
10 C6a C 28.9997 -16.2400
11 O6a O 30.2122 -15.5400
12 O6a O 28.9997 -17.6399
13 O5a O 25.3748 -14.1404
BOND 13
1 1 2 1
2 1 3 2
3 2 4 2
4 3 5 1
5 4 6 1
6 5 6 2
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 7 13 2
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