ATOM 26
1 S3a S 20.4400 -19.3200
2 C1b C 20.4400 -20.7200
3 C1c C 21.6524 -21.4200
4 C1b C 22.8649 -20.7200
5 S3a S 22.8649 -19.3200
6 S4a S 24.0960 -18.6090
7 C8y C 25.3011 -19.3047
8 O3c O 24.9360 -17.3266
9 O3c O 23.3161 -17.4091
10 C8x C 25.3016 -20.7196
11 C8x C 26.5142 -21.4193
12 C8x C 27.7264 -20.7189
13 C8x C 27.7260 -19.3040
14 C8x C 26.5134 -18.6043
15 S4a S 19.2276 -18.6200
16 C8y C 18.0321 -19.3104
17 O3c O 20.0775 -17.4201
18 O3c O 18.3876 -17.4076
19 C8x C 16.8447 -18.6249
20 C8x C 15.6323 -19.3250
21 C8x C 15.6324 -20.7250
22 C8x C 16.8197 -21.4104
23 C8x C 18.0321 -20.7104
24 N1c N 21.6524 -22.8198
25 C1a C 20.4232 -23.5296
26 C1a C 22.8480 -23.5102
BOND 27
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 6 8 2
8 6 9 2
9 7 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 7 14 1
15 1 15 1
16 15 16 1
17 15 17 2
18 15 18 2
19 16 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 16 23 1
25 3 24 1
26 24 25 1
27 24 26 1
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