ATOM 23
1 C8y C 18.3400 -18.4100
2 C8x C 18.3400 -17.0100
3 C8x C 19.5300 -16.3100
4 C8y C 20.7900 -17.0100
5 C8y C 20.7900 -18.4100
6 C8x C 19.5300 -19.1100
7 N2b N 21.9800 -16.3100
8 N2b N 23.2400 -17.0100
9 C8y C 24.4300 -16.3100
10 C8y C 24.4300 -14.9100
11 C8x C 25.6200 -14.2100
12 C8x C 26.8800 -14.9100
13 C8y C 26.8800 -16.3100
14 C8y C 25.6200 -17.0100
15 C8x C 28.0700 -17.0100
16 C8x C 28.0700 -18.4100
17 C8x C 26.8800 -19.1100
18 C8x C 25.6200 -18.4100
19 N2b N 21.9800 -19.1100 #+
20 O3a O 23.1700 -18.4100 #-
21 O3a O 21.9800 -20.5100
22 C1a C 17.1500 -19.1100
23 O1a O 23.2400 -14.2100
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 13 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 14 18 1
21 5 19 1
22 19 20 1
23 19 21 2
24 1 22 1
25 10 23 1
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