ATOM 16
1 C8x C 19.9500 -17.5700
2 N5x N 18.6900 -18.2700
3 C8x C 18.6900 -19.6700
4 C8x C 19.9500 -20.3700
5 C8x C 21.1400 -19.7400
6 C8y C 21.1400 -18.3400
7 C7a C 22.3300 -17.6400
8 O7a O 23.5200 -18.3400
9 C1b C 24.7800 -17.6400
10 C1b C 25.9700 -18.3400
11 N1c N 27.1600 -17.6400
12 C1b C 28.3500 -18.3400
13 C1a C 29.6100 -17.6400
14 O6a O 22.3300 -16.2400
15 C1b C 27.1600 -16.2400
16 C1a C 28.3500 -15.5400
BOND 16
1 4 5 1
2 11 12 1
3 5 6 2
4 12 13 1
5 6 1 1
6 7 14 2
7 11 15 1
8 6 7 1
9 15 16 1
10 7 8 1
11 1 2 2
12 8 9 1
13 2 3 1
14 9 10 1
15 3 4 2
16 10 11 1
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