ATOM 22
1 C8x C 16.9400 -18.7600
2 C8y C 16.9400 -20.1600
3 C8y C 18.1524 -20.8600
4 C8y C 19.3649 -20.1600
5 C8x C 19.3649 -18.7600
6 C8y C 18.1524 -18.0600
7 N2b N 15.7276 -20.8600 #+
8 O3a O 14.5321 -20.1696 #-
9 N2b N 20.5960 -20.8710 #+
10 O3a O 21.9412 -20.1753 #-
11 O3a O 15.7275 -22.2598
12 O3a O 20.5957 -22.2599
13 N1c N 18.1524 -22.2598
14 C1b C 16.9232 -22.9697
15 C1b C 19.3480 -22.9502
16 C1b C 16.9149 -24.3598
17 C1b C 19.3353 -24.3599
18 C1a C 15.7173 -25.0420
19 C1a C 20.5300 -25.0642
20 C1c C 18.1524 -16.6602
21 C1a C 16.9232 -15.9504
22 C1a C 19.3480 -15.9698
BOND 22
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 2 7 1
8 7 8 1
9 4 9 1
10 9 10 1
11 7 11 2
12 9 12 2
13 3 13 1
14 13 14 1
15 13 15 1
16 14 16 1
17 15 17 1
18 16 18 1
19 17 19 1
20 6 20 1
21 20 21 1
22 20 22 1
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