ATOM 13
1 C8x C 25.2803 -20.2033
2 C8x C 25.2803 -21.6038
3 C8x C 26.4960 -22.3040
4 C8x C 27.7046 -21.6038
5 C8y C 27.7046 -20.2033
6 C8y C 26.4960 -19.5031
7 N3a N 28.9087 -19.4960 #+
8 N3a N 30.3093 -19.4960
9 S4a S 26.5292 -18.1027
10 O1d O 26.5223 -16.7022
11 O1d O 27.9297 -18.1027
12 O1d O 25.1289 -18.1027
13 X Cl 31.9251 -19.4960 #-
BOND 12
1 6 1 1
2 5 7 1
3 7 8 3
4 1 2 2
5 6 9 1
6 2 3 1
7 9 10 1
8 3 4 2
9 9 11 2
10 4 5 1
11 9 12 2
12 5 6 2
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