ATOM 15
1 C1x C 26.2178 -19.9194
2 C1y C 25.2403 -18.3324
3 C1y C 25.0300 -19.2197
4 N1y N 24.4445 -17.5335
5 C1x C 24.2810 -18.8497
6 C1x C 23.8126 -19.7990
7 C1a C 24.4417 -16.1438
8 C8y C 26.4298 -18.3324
9 C8y C 27.2860 -19.5676
10 O2x O 28.8472 -19.6268
11 C8x C 29.5519 -18.1622
12 C8y C 28.7029 -16.8493
13 C8y C 27.1416 -16.8671
14 O5x O 26.3496 -15.5773
15 C1a C 29.4732 -15.4994
BOND 17
1 4 7 1
2 9 1 1
3 8 2 1
4 1 3 1
5 2 4 1
6 2 5 1
7 3 6 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 8 1
14 3 4 1
15 13 14 2
16 5 6 1
17 12 15 1
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