ATOM 28
1 C8y C 21.6300 -15.1200
2 C1b C 20.4400 -14.4200
3 C1c C 19.2500 -15.1200
4 N1b N 18.0600 -14.4200
5 C1b C 16.8000 -15.1200
6 C1b C 15.6100 -14.4200
7 O2a O 14.4200 -15.1200
8 C8y C 13.1600 -14.4200
9 C8x C 11.9700 -15.1200
10 C8x C 21.6300 -16.5200
11 C8y C 22.8900 -17.2200
12 C8y C 24.0800 -16.5200
13 C8x C 24.0800 -15.1200
14 C8x C 22.8900 -14.4200
15 C1a C 19.2500 -16.5200
16 C8y C 13.1600 -13.0200
17 C8x C 11.9700 -12.3200
18 C8x C 10.7800 -13.0200
19 C8x C 10.7800 -14.4200
20 O2a O 14.4200 -12.3200
21 O2a O 25.3400 -17.2200
22 C1a C 26.5300 -16.5200
23 S4a S 22.8900 -18.6200
24 O3c O 24.2900 -18.6200
25 N1a N 22.8900 -20.0200
26 O3c O 21.4900 -18.6200
27 C1b C 15.6100 -13.0900
28 C1a C 16.8700 -12.3900
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 1 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 1 14 1
15 3 15 1 #Up
16 8 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 9 2
21 16 20 1
22 12 21 1
23 21 22 1
24 11 23 1
25 23 24 2
26 23 25 1
27 23 26 2
28 20 27 1
29 27 28 1
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