ATOM 16
1 C5x C 31.3600 -15.4000
2 N1y N 31.3600 -16.8000
3 N2b N 30.1700 -17.5000
4 C2b C 28.9800 -16.8700
5 C8y C 27.7900 -17.5000
6 O2x O 26.6700 -16.7300
7 C8y C 25.5500 -17.5000
8 C8x C 25.9700 -18.8300
9 C8x C 27.3000 -18.8300
10 N2b N 24.2900 -16.8000 #+
11 O3a O 23.1000 -17.5000 #-
12 O3a O 24.2900 -15.4000
13 C1x C 32.7600 -17.2900
14 C1x C 33.5300 -16.1000
15 N1x N 32.7600 -14.9800
16 O5x O 30.2400 -14.5600
BOND 17
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 2
8 8 9 1
9 5 9 2
10 7 10 1
11 10 11 1
12 10 12 2
13 2 13 1
14 13 14 1
15 14 15 1
16 1 15 1
17 1 16 2
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