ATOM 27
1 C8y C 16.1700 -17.9900
2 C8x C 16.1700 -19.3900
3 C8y C 17.3824 -20.0900
4 N5x N 18.5949 -19.3900
5 C8y C 18.5949 -17.9900
6 N5x N 17.3824 -17.2900
7 N1b N 19.8324 -17.2900
8 C5a C 21.0449 -17.9900
9 N1b N 22.2573 -17.2900
10 S4a S 23.4697 -17.9900
11 O2a O 24.6822 -17.2900
12 O2a O 14.9576 -17.2900
13 C1a C 13.7621 -17.9804
14 O2a O 17.3824 -21.4898
15 C1a C 16.1532 -22.1997
16 O5a O 21.0449 -19.3898
17 O3c O 22.7697 -19.2024
18 O3c O 24.4597 -19.1199
19 C8y C 25.9153 -18.0022
20 C8x C 25.9149 -19.3899
21 C8x C 27.1272 -20.0902
22 C8x C 28.3398 -19.3906
23 C8x C 28.3402 -18.0029
24 C8y C 27.1279 -17.3025
25 O2a O 27.1280 -15.8904
26 C1b C 28.3644 -15.1763
27 C1a C 29.5719 -15.8733
BOND 28
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 1
10 9 10 1
11 10 11 1
12 1 12 1
13 12 13 1
14 3 14 1
15 14 15 1
16 8 16 2
17 10 17 2
18 10 18 2
19 11 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 24 25 1
27 25 26 1
28 26 27 1
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