ATOM 22
1 C8x C 25.2777 -17.0178
2 C8x C 25.2777 -18.4185
3 C8y C 26.4907 -19.1188
4 C8y C 27.7036 -18.4185
5 C8y C 27.7036 -17.0178
6 C8y C 26.4907 -16.3176
7 C8y C 28.9165 -16.3176
8 C8y C 28.9165 -14.9170
9 C8x C 27.7036 -14.2167
10 C8x C 26.4907 -14.9170
11 C8x C 28.9165 -19.1188
12 C8x C 30.1295 -18.4185
13 C8y C 30.1295 -17.0178
14 C8x C 31.3424 -16.3176
15 C8x C 31.3424 -14.9170
16 C8y C 30.1295 -14.2167
17 N2b N 30.1295 -12.8163 #+
18 O3a O 28.9017 -12.1074
19 O3a O 31.3275 -12.1245 #-
20 N2b N 26.4904 -20.5062 #+
21 O3a O 25.2529 -21.2208 #-
22 O3a O 27.6773 -21.1920
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 4 11 1
13 11 12 2
14 12 13 1
15 7 13 1
16 13 14 2
17 14 15 1
18 15 16 2
19 8 16 1
20 16 17 1
21 17 18 2
22 17 19 1
23 3 20 1
24 20 21 1
25 20 22 2
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