ATOM 8
1 C1x C 12.5819 -19.4821
2 C1x C 13.0318 -20.8078
3 C1x C 14.4317 -20.7896
4 C5x C 14.8470 -19.4526
5 N1y N 13.7037 -18.6445
6 O5x O 16.1642 -19.0056
7 C2b C 13.7037 -17.2445
8 C2a C 14.9390 -16.5316
BOND 8
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 2
7 5 7 1
8 7 8 2
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