ATOM 22
1 C8x C 23.3100 -22.1900
2 C8x C 23.3100 -23.5900
3 C8x C 24.5000 -24.3600
4 C8y C 25.7600 -23.5900
5 C8y C 25.7600 -22.1900
6 C8x C 24.5000 -21.4900
7 S2x S 26.9500 -24.3600
8 C8y C 28.2100 -23.5900
9 C8y C 28.2100 -22.1900
10 N4y N 26.9500 -21.4900
11 C8x C 29.4000 -24.3600
12 C8x C 30.5900 -23.5900
13 C8y C 30.5900 -22.1900
14 C8x C 29.4000 -21.4900
15 C1b C 26.9500 -20.0900
16 C1b C 28.2100 -19.3900
17 C1b C 29.4000 -20.0900
18 N1d N 30.5900 -19.3900 #+
19 C1a C 31.7800 -20.0900
20 O3a O 30.5900 -17.9900 #-
21 X Cl 31.8500 -21.4900
22 C1a C 32.1553 -18.6249
BOND 24
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
24 18 22 1
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