ATOM 26
1 C8y C 24.7800 -18.4100
2 C2b C 25.9700 -17.7100
3 C2b C 27.1600 -18.4100
4 C2c C 28.3500 -17.7100
5 C2b C 29.6100 -18.4100
6 C2b C 30.8000 -17.7100
7 C8y C 31.9900 -18.4100
8 N2b N 28.3500 -16.3100
9 N1b N 29.5400 -15.6100
10 C2c C 29.5400 -14.2100
11 N1a N 30.7300 -13.5800
12 N2a N 28.3500 -13.5100
13 O2x O 23.5900 -17.6400
14 C8y C 22.4700 -18.4800
15 C8x C 22.9600 -19.8100
16 C8x C 24.3600 -19.8100
17 N2b N 21.2800 -17.7800 #+
18 O3a O 19.9500 -18.4800 #-
19 C8x C 32.4100 -19.7400
20 C8x C 33.8100 -19.7400
21 C8y C 34.2300 -18.4800
22 O2x O 33.1800 -17.6400
23 O3a O 36.6800 -18.4800 #-
24 N2b N 35.4900 -17.7800 #+
25 O3a O 21.2800 -16.3800
26 O3a O 35.4900 -16.3800
BOND 27
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 4 8 2
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 1 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 1 16 2
17 14 17 1
18 17 18 1
19 7 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 7 22 1
24 23 24 1
25 21 24 1
26 17 25 2
27 24 26 2
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