ATOM 21
1 C8y C 25.3351 -18.5317
2 C8y C 25.3410 -17.1272
3 C5x C 26.5473 -19.2367
4 C8x C 24.1287 -19.2310
5 C5x C 26.5590 -16.4337
6 C8y C 24.1287 -16.4279
7 C8y C 27.7594 -18.5374
8 O5x O 26.5414 -20.6413
9 C8y C 22.9109 -18.5317
10 C8y C 27.7710 -17.1387
11 O5x O 26.5647 -15.0350
12 C8y C 22.9109 -17.1272
13 O1a O 24.1287 -15.0293
14 C8x C 28.9600 -19.2484
15 O1a O 21.6986 -19.2367
16 C8y C 28.9890 -16.4512
17 X Cl 21.6986 -16.4279
18 C8y C 30.1780 -18.5550
19 C8x C 30.1896 -17.1621
20 O1a O 29.0007 -15.0526
21 C1a C 31.3784 -19.2717
BOND 23
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 12 17 1
17 14 18 2
18 16 19 2
19 16 20 1
20 18 21 1
21 7 10 2
22 9 12 1
23 18 19 1
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