ATOM 17
1 C8y C 28.9145 -15.9581
2 C8y C 28.9086 -17.3610
3 C5x C 27.7037 -15.2596
4 C8x C 30.1311 -15.2656
5 C5x C 27.7037 -18.0596
6 C8x C 30.1194 -18.0653
7 C8y C 26.4871 -15.9581
8 O5x O 27.7096 -13.8628
9 C8y C 31.3418 -15.9698
10 C8y C 26.4871 -17.3610
11 O5x O 27.7096 -19.4624
12 C8x C 31.3360 -17.3668
13 C8x C 25.2822 -15.2596
14 C8x C 25.2822 -18.0596
15 C8x C 24.0715 -15.9581
16 C8x C 24.0715 -17.3610
17 N1a N 32.5682 -15.2678
BOND 19
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1
13 10 14 1
14 13 15 2
15 14 16 2
16 7 10 2
17 9 12 1
18 15 16 1
19 9 17 1
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