ATOM 23
1 C8y C 25.0018 -20.2512
2 C8x C 25.0087 -18.8499
3 C8x C 23.7978 -18.1467
4 C8y C 22.5798 -18.8377
5 C8x C 22.6427 -20.2391
6 C8y C 23.7836 -20.9492
7 C8y C 29.8464 -20.2441
8 C8y C 29.8464 -18.8428
9 C8x C 28.6291 -18.1456
10 C8x C 27.4187 -18.8428
11 C8y C 27.4187 -20.2441
12 C8x C 28.6291 -20.9484
13 O2a O 26.2129 -20.9484
14 X Cl 23.7767 -22.3506
15 X Cl 21.3688 -18.1345
16 C7a C 31.0506 -20.9484
17 O7a O 32.2618 -20.2441
18 C1b C 33.4771 -20.9469
19 O6a O 31.0506 -22.3496
20 N2b N 31.0536 -18.1451 #+
21 O3a O 32.2684 -18.8416
22 O3a O 31.0601 -16.7509 #-
23 C1a C 34.6850 -20.2506
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 18 23 1
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