ATOM 19
1 C8x C 16.6752 -14.9937
2 C8y C 16.6752 -16.3949
3 C8x C 17.9363 -17.0956
4 C8y C 19.1274 -16.3949
5 C8y C 19.1274 -14.9937
6 C8x C 17.9363 -14.2930
7 N5x N 20.3886 -16.8153
8 C8y C 21.2293 -15.6943
9 N4x N 20.3886 -14.5032
10 S2a S 15.4841 -17.0956
11 C1b C 14.2930 -16.3949
12 C1b C 13.0319 -17.0956
13 C1b C 11.8408 -16.3949
14 N1b N 22.6306 -15.6943
15 C7a C 23.3312 -16.8854
16 O7a O 24.8026 -16.8854
17 C1a C 25.5032 -18.0765
18 O6a O 22.6306 -18.0765
19 O1a O 10.6283 -17.0949
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 2 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 8 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 15 18 2
20 13 19 1
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