ATOM 30
1 C8x C 9.3800 -17.0800
2 C8y C 9.3800 -18.4800
3 C8y C 10.5924 -19.1800
4 C8x C 11.8049 -18.4800
5 C8y C 11.8049 -17.0800
6 C8x C 10.5924 -16.3800
7 O2a O 13.0360 -16.3690
8 C8y C 14.2412 -17.0647
9 C8y C 14.2416 -18.4796
10 C8x C 15.4542 -19.1793
11 C8y C 16.6665 -18.4789
12 C8x C 16.6660 -17.0639
13 C8y C 15.4534 -16.3643
14 O2a O 8.1676 -19.1800
15 C1a C 6.9721 -18.4896
16 X I 10.5924 -20.5798
17 X I 15.4532 -14.9801
18 X I 13.0058 -19.1940
19 C1b C 17.8747 -19.1760
20 C7a C 19.0666 -18.4873
21 O7a O 20.2561 -19.1736
22 O6a O 19.0662 -17.0802
23 C1b C 21.4459 -18.4860
24 C1b C 22.6365 -19.1729
25 N1c N 23.8257 -18.4857
26 C1b C 25.0166 -19.1728
27 C1a C 26.2057 -18.4856
28 C1b C 23.8253 -17.0802
29 C1a C 25.0186 -16.3907
30 X Cl 24.5000 -21.2100
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 2 14 1
16 14 15 1
17 3 16 1
18 13 17 1
19 9 18 1
20 11 19 1
21 19 20 1
22 20 21 1
23 20 22 2
24 21 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 25 28 1
30 28 29 1
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