ATOM 22
1 C8y C 25.9920 -18.7064
2 C8x C 25.9989 -17.3053
3 C8x C 24.7882 -16.6022
4 C8y C 23.5704 -17.2931
5 C8x C 23.5633 -18.6942
6 C8y C 24.7740 -19.4042
7 C8y C 30.8357 -18.6993
8 C8y C 30.8357 -17.2982
9 C8x C 29.6186 -16.6012
10 C8x C 28.4084 -17.2982
11 C8y C 28.4084 -18.6993
12 C8x C 29.6186 -19.4034
13 O2a O 27.2028 -19.4034
14 X Cl 24.7671 -20.8054
15 X Cl 22.3596 -16.5900
16 C7a C 32.0397 -19.4034
17 O7a O 33.2507 -18.6993
18 C1a C 34.4658 -19.4019
19 O6a O 32.0397 -20.8043
20 N2b N 32.0427 -16.6006 #+
21 O3a O 33.2573 -17.2970
22 O3a O 32.0420 -15.2066 #-
BOND 23
1 10 11 1
2 11 12 2
3 12 7 1
4 6 1 1
5 11 13 1
6 13 1 1
7 6 14 1
8 1 2 2
9 4 15 1
10 2 3 1
11 7 16 1
12 3 4 2
13 16 17 1
14 4 5 1
15 17 18 1
16 5 6 2
17 16 19 2
18 7 8 2
19 8 20 1
20 8 9 1
21 20 21 2
22 9 10 2
23 20 22 1
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