ATOM 12
1 C8y C 25.6986 -16.8988
2 C8y C 25.6924 -18.2957
3 S2x S 27.0193 -18.7311
4 N1x N 27.8410 -17.6033
5 C5x C 27.0293 -16.4683
6 C8x C 23.2725 -18.3002
7 C8x C 24.4857 -18.9985
8 C8x C 24.4891 -16.1970
9 C8x C 23.2742 -16.8995
10 O5x O 27.3846 -15.1051
11 O3c O 26.1249 -19.8165
12 O3c O 28.3467 -19.1863
BOND 13
1 1 2 2
2 2 3 1
3 3 4 1
4 6 7 2
5 7 2 1
6 1 8 1
7 8 9 2
8 9 6 1
9 4 5 1
10 5 10 2
11 5 1 1
12 3 11 2
13 3 12 2
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