ATOM 19
1 N5x N 18.0600 -17.2900
2 C8y C 18.0600 -18.6900
3 N5x N 19.2724 -19.3900
4 C8x C 20.4849 -18.6900
5 C8y C 20.4849 -17.2900
6 C8y C 19.2724 -16.5900
7 N1a N 19.2724 -15.1902
8 C1a C 16.8476 -19.3900
9 C1b C 21.7224 -16.5900
10 N5y N 22.9349 -17.2900 #+
11 C8y C 23.3803 -18.6124
12 C8y C 24.7803 -18.5995
13 S2x S 25.2005 -17.2640
14 C8x C 24.0603 -16.4517
15 C1a C 22.5650 -19.7583
16 C1b C 25.9924 -19.3200
17 C6a C 27.2049 -18.6200
18 O6a O 28.4173 -19.3200
19 O6a O 27.2049 -17.2202
BOND 20
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 2 8 1
9 5 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 10 14 2
16 11 15 1
17 12 16 1
18 16 17 1
19 17 18 1
20 17 19 2
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