ATOM 16
1 C8y C 28.8379 -15.6935
2 C8y C 26.5230 -15.6817
3 C8y C 28.8728 -16.9646
4 C8x C 29.9807 -14.9238
5 C8y C 26.5464 -17.0171
6 C8x C 25.3568 -15.0346
7 C1x C 27.7241 -17.6644
8 C8x C 30.0390 -17.6118
9 C8x C 31.1644 -15.5769
10 C8x C 25.4034 -17.7051
11 C8x C 24.2081 -15.7284
12 C8y C 31.1177 -16.9121
13 C8x C 24.2314 -17.0578
14 N2b N 32.3656 -17.5594 #+
15 O3a O 32.3950 -18.9541
16 O3a O 33.5588 -16.8365 #-
BOND 18
1 1 3 1
2 1 4 2
3 2 5 2
4 2 6 1
5 3 7 1
6 3 8 2
7 4 9 1
8 5 10 1
9 6 11 2
10 8 12 1
11 10 13 2
12 12 14 1
13 5 7 1
14 9 12 2
15 11 13 1
16 14 15 2
17 1 2 1
18 14 16 1
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