ATOM 18
1 C8y C 21.8573 -15.3124
2 C8y C 23.0512 -16.0147
3 C8x C 20.6634 -16.0147
4 O1a O 21.8573 -13.9079
5 C8x C 23.0512 -17.4193
6 C8y C 20.6634 -17.4193
7 C8x C 21.8573 -18.1216
8 X Cl 19.3992 -18.1216
9 C5a C 24.2704 -15.3174
10 N1b N 25.4627 -16.0124
11 O5a O 24.2763 -13.9082
12 C1b C 26.6553 -15.3124
13 C1b C 27.8718 -16.0147
14 C1b C 29.0881 -15.3124
15 C6a C 30.3045 -16.0147
16 O6a O 31.5210 -15.3124 #-
17 O6a O 30.3045 -17.4192
18 Z Na 34.0069 -15.3827 #+
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 5 7 2
7 6 8 1
8 6 7 1
9 2 9 1
10 9 10 1
11 9 11 2
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 15 17 2
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