ATOM 24
1 C8x C 22.8395 -17.0740
2 C8y C 22.8336 -18.4310
3 C8x C 24.0210 -16.4014
4 C8x C 24.0035 -19.1154
5 S4a S 21.6639 -19.1095
6 C8y C 25.1908 -17.0857
7 C8x C 25.1849 -18.4427
8 S4a S 26.3723 -16.4131
9 N1b N 27.6240 -15.5767
10 C8y C 28.9139 -16.2122
11 C8x C 28.9139 -17.6122
12 C8x C 30.1263 -18.3122
13 C8x C 31.3387 -17.6122
14 C8y C 31.3387 -16.2122
15 C8y C 30.1263 -15.5122
16 C8y C 32.3791 -15.2754
17 C8x C 31.8097 -13.9965
18 N4x N 30.4174 -14.1428
19 X Cl 33.7747 -15.5725
20 O3c O 27.0982 -17.5876
21 O3c O 25.6265 -15.2065
22 N1a N 20.4266 -19.8254
23 O3c O 22.3569 -20.3065
24 O3c O 20.9543 -17.8839
BOND 26
1 1 2 2
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 2
6 4 7 2
7 6 8 1
8 8 9 1
9 6 7 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 14 16 1
18 16 17 2
19 17 18 1
20 15 18 1
21 16 19 1
22 8 20 2
23 8 21 2
24 5 22 1
25 5 23 2
26 5 24 2
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