ATOM 16
1 C1c C 27.8636 -18.4154
2 C8y C 26.6530 -19.1138
3 N1y N 27.8694 -17.0243
4 C3b C 29.0741 -19.1195
5 C8x C 25.4366 -18.4095
6 C8x C 26.6589 -20.5163
7 C1x C 26.6530 -16.3260
8 C1x C 29.0800 -16.3260
9 N3a N 30.2846 -19.8179
10 C8x C 24.2261 -19.1138
11 C8x C 25.4425 -21.2147
12 C1x C 26.6530 -14.9292
13 C1x C 29.0800 -14.9292
14 C8y C 24.2261 -20.5163
15 C1x C 27.8694 -14.2249
16 O1a O 23.0097 -21.2031
BOND 17
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 3
9 5 10 2
10 6 11 1
11 7 12 1
12 8 13 1
13 10 14 1
14 12 15 1
15 14 16 1
16 11 14 2
17 13 15 1
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