ATOM 17
1 C1y C 28.3163 -20.9231
2 N1y N 27.0994 -20.2151
3 C8y C 28.3183 -22.3182
4 C1x C 29.5390 -20.2268
5 C1y C 27.1053 -18.8111
6 C1x C 25.8884 -20.9172
7 C1x C 29.5448 -18.8228
8 C1y C 28.3280 -18.1090
9 C1x C 25.8884 -18.1033
10 C1y C 24.6716 -20.2151
11 C1a C 28.3163 -16.6992
12 C1x C 24.6716 -18.8111
13 C1a C 23.4489 -20.9114
14 C8x C 27.1456 -23.0794
15 O2x O 27.5123 -24.4289
16 C8x C 28.9094 -24.4949
17 C8x C 29.4016 -23.1860
BOND 19
1 2 5 1
2 2 6 1
3 4 7 1
4 5 8 1
5 5 9 1
6 6 10 1
7 8 11 1 #Down
8 9 12 1
9 10 13 1 #Up
10 7 8 1
11 10 12 1
12 14 15 1
13 1 2 1
14 1 3 1
15 1 4 1
16 3 14 2
17 15 16 1
18 16 17 2
19 17 3 1
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