ATOM 13
1 C8y C 25.4823 -14.6327
2 C8x C 25.4677 -13.2295
3 C8x C 24.2807 -15.3476
4 C8x C 24.2486 -12.5463
5 C8x C 23.0616 -14.6645
6 N5x N 23.0390 -13.2635
7 C5a C 26.6924 -15.3300
8 N1b N 27.9049 -14.6300
9 C1b C 29.1173 -15.3300
10 C6a C 30.3297 -14.6300
11 O6a O 31.5422 -15.3300
12 O5a O 26.6930 -16.7298
13 O6a O 30.3297 -13.2301
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 7 12 2
13 10 13 2
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