ATOM 28
1 C8y C 31.3508 -16.5352
2 C8y C 31.3508 -17.9362
3 C8y C 32.5680 -18.6331
4 C8x C 33.7780 -17.9362
5 C8x C 33.7780 -16.5352
6 C8x C 32.5680 -15.8314
7 N5x N 24.1845 -19.4919
8 C8y C 24.1845 -20.8928
9 C8x C 25.4015 -21.5898
10 C8y C 25.4015 -18.7880
11 N4y N 26.6115 -19.4919
12 C8y C 26.6033 -20.8888
13 N5x N 27.9297 -21.3262
14 C8y C 28.7532 -20.1995
15 N5x N 27.9429 -19.0702
16 X F 22.9706 -21.5904
17 O2a O 25.4034 -17.3871
18 C1b C 24.1899 -16.6886
19 S4a S 30.1540 -20.2076
20 N1b N 30.1471 -18.7159
21 O3c O 31.4211 -20.2008
22 O3c O 30.1457 -21.6237
23 X Cl 32.5697 -20.0341
24 C7a C 30.1371 -15.8307
25 O7a O 28.9227 -16.5340
26 O6a O 30.1378 -14.4297
27 C1a C 27.7158 -15.8295
28 C1a C 22.9750 -17.3840
BOND 30
1 12 13 2
2 13 14 1
3 14 15 2
4 15 11 1
5 2 3 2
6 8 16 1
7 3 4 1
8 10 17 1
9 7 8 1
10 17 18 1
11 8 9 2
12 14 19 1
13 9 12 1
14 19 20 1
15 11 10 1
16 19 21 2
17 10 7 2
18 19 22 2
19 20 2 1
20 4 5 2
21 3 23 1
22 5 6 1
23 1 24 1
24 6 1 2
25 24 25 1
26 24 26 2
27 1 2 1
28 25 27 1
29 11 12 1
30 18 28 1
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