ATOM 29
1 C8y C 12.9500 -17.4300
2 C8y C 12.9500 -18.8300
3 C8x C 14.1624 -19.5300
4 C8y C 15.3749 -18.8300
5 C8y C 15.3749 -17.4300
6 C8y C 14.1624 -16.7300
7 N1b N 16.8924 -16.7300
8 C8y C 18.3149 -17.4300
9 N5x N 18.3149 -18.8298
10 C8x C 19.5273 -19.5298
11 C8y C 20.7397 -18.8298
12 C8x C 20.7397 -17.4300
13 C8y C 19.5273 -16.7300
14 N2b N 14.1624 -15.3302 #+
15 O3a O 12.7932 -14.4804
16 O3a O 15.7780 -14.2198 #-
17 X Cl 11.7376 -16.7300
18 C1d C 11.7376 -19.5300
19 X F 10.5421 -18.8396
20 X F 11.7375 -20.9298
21 X F 10.5251 -20.2300
22 N2b N 16.3960 -19.5410 #+
23 O3a O 16.3960 -20.9410 #-
24 O3a O 17.9511 -20.0353
25 C1d C 21.9374 -19.5214
26 X F 23.1255 -18.8354
27 X F 21.9375 -20.9297
28 X F 23.1498 -20.2214
29 X Cl 19.5273 -15.3300
BOND 30
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 6 14 1
16 14 15 2
17 14 16 1
18 1 17 1
19 2 18 1
20 18 19 1
21 18 20 1
22 18 21 1
23 4 22 1
24 22 23 1
25 22 24 2
26 11 25 1
27 25 26 1
28 25 27 1
29 25 28 1
30 13 29 1
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