ATOM 22
1 C8y C 26.5791 -18.1096
2 C8x C 27.7895 -17.4017
3 C8x C 27.7817 -15.9995
4 C8x C 26.5635 -15.3050
5 C8x C 25.3530 -16.0129
6 C8x C 25.3608 -17.4153
7 C8y C 26.5791 -20.9128
8 C8x C 25.3617 -21.6064
9 C8x C 25.3537 -23.0078
10 C8x C 26.5631 -23.7153
11 C8x C 27.7807 -23.0216
12 C8x C 27.7887 -21.6204
13 C8y C 27.9878 -19.5112
14 C8x C 28.6815 -20.7216
15 C8x C 30.0766 -20.7261
16 C8x C 30.7780 -19.5200
17 C8x C 30.0844 -18.3096
18 C8x C 28.6893 -18.3052
19 N3a N 23.7831 -19.5112
20 C3b C 25.1846 -19.5112
21 Z B 26.5862 -19.5112 #-
22 Z Na 32.2138 -19.5112 #+
BOND 23
1 9 10 2
2 10 11 1
3 11 12 2
4 12 7 1
5 5 6 2
6 6 1 1
7 1 2 2
8 2 3 1
9 13 14 2
10 14 15 1
11 15 16 2
12 16 17 1
13 17 18 2
14 18 13 1
15 3 4 2
16 4 5 1
17 19 20 3
18 7 8 2
19 20 21 1
20 21 7 1
21 21 13 1
22 21 1 1
23 8 9 1
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