ATOM 17
1 C8x C 27.1566 -17.9869
2 C8y C 27.1566 -19.3867
3 C8x C 28.3688 -20.0865
4 C8y C 29.5811 -19.3867
5 C8y C 29.5811 -17.9869
6 C8y C 28.3688 -17.2870
7 C1d C 28.3688 -15.8873
8 C1a C 28.3688 -14.4875
9 C1a C 29.7686 -15.8873
10 C1a C 26.9690 -15.8873
11 O1a O 30.8120 -17.2760
12 N2b N 25.9444 -20.0865 #+
13 N2b N 30.8120 -20.0975 #+
14 O3a O 30.8117 -21.4862
15 O3a O 24.6091 -19.3963 #-
16 O3a O 25.9443 -21.4861
17 O3a O 32.4387 -19.1210 #-
BOND 17
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 7 9 1
10 7 10 1
11 5 11 1
12 2 12 1
13 4 13 1
14 13 14 2
15 12 15 1
16 12 16 2
17 13 17 1
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