ATOM 27
1 C8y C 15.8900 -19.9500
2 C8y C 15.8900 -18.5500
3 O2x O 17.0800 -20.6500
4 C8y C 18.2700 -19.9500
5 C8y C 18.2700 -18.5500
6 C8y C 17.0800 -17.7800
7 C8x C 19.5300 -20.6500
8 C8x C 20.7200 -19.9500
9 C8y C 20.7200 -18.5500
10 C8x C 19.5300 -17.7800
11 X Cl 21.9100 -17.7800
12 C8x C 14.7000 -17.8500
13 C8x C 13.4400 -18.5500
14 C8x C 13.4400 -19.9500
15 C8x C 14.7000 -20.6500
16 C2y C 17.0800 -16.3800
17 C1x C 18.2924 -15.6800
18 C1x C 18.2924 -14.2800
19 N1y N 17.0800 -13.5800
20 C1x C 15.8676 -14.2800
21 C1x C 15.8676 -15.6800
22 C1a C 17.0800 -12.1800
23 C1a C 26.2500 -17.7800
24 S4a S 27.6500 -17.7800
25 O1d O 27.6500 -16.3800
26 O1d O 29.0500 -17.7800
27 O1d O 27.6500 -19.1800
BOND 29
1 1 2 2
2 1 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 2 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 1 15 1
18 6 16 2
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 19 22 1
26 23 24 1
27 24 25 2
28 24 26 1
29 24 27 2
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