ATOM 15
1 C8y C 11.9599 -19.2314
2 N5x N 12.3715 -20.5695
3 C8x C 13.7713 -20.5915
4 C8y C 14.2249 -19.2670
5 S2x S 13.1053 -18.4264
6 X Cl 10.6501 -18.7831
7 C1b C 15.4224 -18.5500
8 N1b N 16.6349 -19.2500
9 C2c C 17.8473 -18.5500
10 N1b N 19.0597 -19.2500
11 C1a C 20.2722 -18.5500
12 N2b N 17.8473 -17.1500
13 N2b N 19.0618 -16.4488 #+
14 O3a O 20.2583 -17.1398 #-
15 O3a O 19.0618 -15.0502
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 9 12 2
13 12 13 1
14 13 14 1
15 13 15 2
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