ATOM 13
1 C8y C 25.2083 -16.8546
2 C8y C 25.2022 -18.2504
3 S2x S 26.5280 -18.6925
4 N1x N 27.3632 -17.5586 #-
5 C5x C 26.5451 -16.4245
6 C8x C 22.7845 -18.2550
7 C8x C 23.9965 -18.9595
8 C8x C 23.9999 -16.1533
9 C8x C 22.7161 -16.8553
10 O5x O 26.9001 -15.0553
11 O3c O 25.8289 -19.8969
12 O3c O 27.7387 -19.3824
13 Z Na 29.3300 -17.5700 #+
BOND 13
1 1 2 2
2 6 7 2
3 7 2 1
4 1 8 1
5 8 9 2
6 9 6 1
7 2 3 1
8 5 10 2
9 3 4 1
10 3 11 2
11 4 5 1
12 3 12 2
13 5 1 1
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