ATOM 19
1 C8y C 29.0911 -15.6256
2 S4a S 30.3007 -14.9278
3 C8x C 29.0911 -17.0214
4 C8x C 27.8815 -14.9278
5 N1b N 31.5102 -15.6256
6 O3c O 29.3238 -13.9044
7 O3c O 31.2777 -13.9044
8 C8x C 27.8815 -17.7192
9 C8x C 26.6720 -15.6256
10 C8y C 32.7198 -14.9278
11 C8y C 26.6720 -17.0214
12 S2x S 33.8609 -15.7328
13 N5x N 33.1208 -13.5647
14 N1a N 25.4624 -17.7192
15 C8y C 34.9633 -14.8971
16 N5x N 34.5233 -13.5501
17 C1c C 36.1757 -15.5971
18 C1a C 37.3882 -14.8971
19 C1a C 36.1756 -17.0099
BOND 20
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 2 7 2
7 3 8 2
8 4 9 1
9 5 10 1
10 8 11 1
11 10 12 1
12 10 13 2
13 11 14 1
14 12 15 1
15 13 16 1
16 9 11 2
17 15 16 2
18 15 17 1
19 17 18 1
20 17 19 1
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