ATOM 21
1 C8x C 22.8265 -17.0415
2 C8x C 22.8265 -18.4441
3 C8x C 24.0411 -19.1454
4 C8y C 25.2559 -18.4441
5 C8y C 25.2559 -17.0415
6 C8x C 24.0411 -16.3402
7 S2x S 26.4706 -19.1454
8 C8y C 27.6853 -18.4441
9 C8y C 27.6853 -17.0415
10 N4y N 26.4706 -16.3402
11 C8x C 28.9001 -19.1454
12 C8x C 30.1147 -18.4441
13 C8y C 30.1147 -17.0415
14 C8x C 28.9001 -16.3402
15 C1b C 26.4706 -14.9375
16 C1b C 27.6874 -14.2350
17 C1b C 28.8861 -14.9273
18 N1c N 30.0752 -14.2408
19 C1a C 31.2689 -14.9303
20 C1a C 30.0754 -12.8338
21 X Cl 31.3335 -16.3379
BOND 23
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 10 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 18 20 1
23 13 21 1
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