ATOM 23
1 C8y C 25.6137 -20.2509
2 C8y C 25.6206 -18.8495
3 C8x C 24.4097 -18.1463
4 C8y C 23.1917 -18.8374
5 C8x C 23.1846 -20.2387
6 C8y C 24.3955 -20.9489
7 C8y C 30.4583 -20.2438
8 C8y C 30.4583 -18.8424
9 C8x C 29.2409 -18.1453
10 C8x C 28.0306 -18.8424
11 C8y C 28.0306 -20.2438
12 C8x C 29.2409 -20.9480
13 O2a O 26.8247 -20.9480
14 X Cl 24.4586 -22.3502
15 X Cl 21.9806 -18.1342
16 C7a C 31.6624 -20.9480
17 O7a O 32.8736 -20.2438
18 C1a C 34.0889 -20.9465
19 O6a O 31.6624 -22.3492
20 N2b N 31.6654 -18.1448 #+
21 O3a O 32.8802 -18.8413
22 O3a O 31.6719 -16.7505 #-
23 X F 26.8306 -18.1568
BOND 24
1 11 12 2
2 12 7 1
3 6 1 1
4 11 13 1
5 13 1 1
6 6 14 1
7 1 2 2
8 4 15 1
9 2 3 1
10 7 16 1
11 3 4 2
12 16 17 1
13 4 5 1
14 17 18 1
15 5 6 2
16 16 19 2
17 7 8 2
18 8 20 1
19 8 9 1
20 20 21 2
21 9 10 2
22 20 22 1
23 10 11 1
24 2 23 1
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