ATOM 19
1 N1y N 13.1822 -15.9880
2 C1x C 13.1822 -17.3963
3 C1x C 14.3793 -18.1004
4 C2x C 15.5763 -17.3963
5 C2y C 15.5763 -15.9880
6 C1x C 14.3793 -15.2839
7 C1a C 11.9852 -15.2839
8 C8y C 16.8437 -15.2839
9 C8y C 17.9704 -16.0584
10 N5x N 19.0970 -15.2135
11 S2x S 18.6745 -13.9460
12 N5x N 17.2662 -13.9460
13 O2a O 17.9704 -17.4667
14 C1b C 19.1674 -18.1709
15 C1b C 20.3644 -17.5371
16 C1b C 21.5615 -18.3117
17 C1b C 22.8289 -17.6075
18 C1b C 24.0964 -18.3821
19 C1a C 25.2934 -17.7484
BOND 20
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 5 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 8 12 2
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
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