ATOM 16
1 S2x S 15.1014 -18.1548
2 C1x C 15.5538 -19.4796
3 C1x C 16.9537 -19.4587
4 N1y N 17.3664 -18.1210
5 C5x C 16.2216 -17.3150
6 O5x O 16.2700 -15.8906
7 P1a P 18.5724 -17.4300
8 S2a S 19.7848 -16.7300
9 O2b O 19.2646 -18.7739
10 O3b O 18.0001 -15.9377
11 C1c C 21.0224 -17.4300
12 C1b C 22.2349 -16.7300
13 C1a C 23.4473 -17.4300
14 C1a C 21.0286 -18.8297
15 C1b C 18.5191 -19.9540
16 C1a C 19.1748 -21.2028
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 2
7 4 7 1
8 7 8 1
9 7 9 1
10 7 10 2
11 8 11 1
12 11 12 1
13 12 13 1
14 11 14 1
15 9 15 1
16 15 16 1
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