ATOM 17
1 S4a S 34.6401 -22.0435
2 O1d O 34.6401 -20.6440
3 O1d O 33.2406 -22.0435
4 C1a C 34.6401 -23.4431
5 O1d O 36.0396 -22.0435 #-
6 C8x C 25.8300 -21.4900
7 C8y C 25.8300 -22.8900
8 C8x C 27.0200 -23.5900
9 C8x C 28.2800 -22.8900
10 C8x C 28.2800 -21.4900
11 C8y C 27.0200 -20.7900
12 C7a C 27.0200 -19.3900
13 O6a O 25.8300 -18.6900
14 O7a O 28.2100 -18.6900
15 C1b C 29.4000 -19.3900
16 C1a C 30.5900 -18.6900
17 N1a N 24.5700 -23.5900 #+
BOND 16
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 6 7 2
6 7 8 1
7 8 9 2
8 9 10 1
9 10 11 2
10 6 11 1
11 11 12 1
12 12 13 2
13 12 14 1
14 14 15 1
15 15 16 1
16 7 17 1
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