ATOM 27
1 C8x C 27.5100 -22.8200
2 C8y C 27.5100 -24.2200
3 C8y C 28.7224 -24.9200
4 C8x C 29.9349 -24.2200
5 C8y C 29.9349 -22.8200
6 C8x C 28.7224 -22.1200
7 X Cl 31.1660 -22.1090
8 X Cl 28.7224 -26.3198
9 C2y C 25.6676 -24.9200
10 C2y C 24.5471 -24.1114
11 C1z C 23.4360 -24.9290
12 O7x O 23.8702 -26.2384
13 C7x C 25.2497 -26.2300
14 C1x C 22.7360 -23.7166
15 C1x C 21.3360 -23.7166
16 C1x C 20.6360 -24.9290
17 C1x C 21.3360 -26.1414
18 C1x C 22.7360 -26.1414
19 O7a O 24.5400 -22.6803
20 C7a C 25.7713 -21.9610
21 C1d C 25.7713 -20.5610
22 O6a O 26.9836 -22.6033
23 C1b C 26.9671 -19.8708
24 C1a C 26.9671 -18.4708
25 C1a C 24.4190 -20.9233
26 C1a C 24.7814 -19.5711
27 O6a O 26.0957 -27.3806
BOND 29
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 3 8 1
9 2 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 11 18 1
21 10 19 1
22 19 20 1
23 20 21 1
24 20 22 2
25 21 23 1
26 23 24 1
27 21 25 1
28 21 26 1
29 13 27 2
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