ATOM 19
1 C8x C 15.4700 -17.0800
2 C8y C 15.4700 -18.4800
3 C8y C 16.6824 -19.1800
4 C8y C 17.8949 -18.4800
5 C8y C 17.8949 -17.0800
6 C8y C 16.6824 -16.3800
7 C1d C 16.6824 -14.9800
8 C1a C 16.6824 -13.5800
9 C1a C 18.0824 -14.9800
10 C1a C 15.2824 -14.9800
11 O2a O 19.1324 -16.3800
12 C1a C 20.3449 -17.0800
13 N2b N 19.1324 -19.1800 #+
14 O3a O 20.6249 -18.4800 #-
15 N2b N 14.2576 -19.1800 #+
16 O3a O 13.0451 -18.4800 #-
17 O3a O 19.1386 -20.5797
18 O3a O 14.2576 -20.5798
19 C1a C 16.6824 -20.5798
BOND 19
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 11 12 1
13 4 13 1
14 13 14 1
15 2 15 1
16 15 16 1
17 13 17 2
18 15 18 2
19 3 19 1
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