ATOM 21
1 C8x C 16.1000 -16.8000
2 C8y C 16.1000 -18.2000
3 C8x C 17.3124 -18.9000
4 C8y C 18.5249 -18.2000
5 C8x C 18.5249 -16.8000
6 C8y C 17.3124 -16.1000
7 C7a C 19.7624 -18.9000
8 O7a O 20.9749 -18.2000
9 C1c C 22.1873 -18.9000
10 C1a C 23.3997 -18.2000
11 C7a C 14.8876 -18.9000
12 O7a O 13.6751 -18.2000
13 C1c C 12.4627 -18.9000
14 C1a C 11.2503 -18.2000
15 N2b N 17.3124 -14.7002 #+
16 O3a O 15.9432 -13.9203
17 O3a O 18.7180 -14.0098 #-
18 O6a O 19.7686 -20.2997
19 O6a O 14.8876 -20.2998
20 C1a C 22.1873 -20.3000
21 C1a C 12.4627 -20.3000
BOND 21
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 1
9 8 9 1
10 9 10 1
11 2 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 6 15 1
16 15 16 2
17 15 17 1
18 7 18 2
19 11 19 2
20 9 20 1
21 13 21 1
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