ATOM 21
1 C1y C 24.3962 -19.5655
2 C1y C 24.3962 -20.9713
3 C1x C 25.6174 -21.6776
4 C1y C 26.8316 -20.9713
5 C1y C 26.8316 -19.5655
6 C5x C 25.6174 -18.8661
7 N1b N 28.0503 -21.6767
8 O1a O 28.0503 -18.8670
9 O5x O 25.6192 -17.4604
10 O1a O 23.1852 -18.8654
11 C1b C 23.1846 -21.6701
12 O1a O 21.9736 -20.9704
13 C8y C 29.2666 -20.9762
14 C8x C 30.4473 -21.6595
15 C8x C 31.6625 -20.9597
16 C8y C 31.6640 -19.5574
17 C8x C 30.4834 -18.8741
18 C8x C 29.2682 -19.5739
19 N2b N 32.8978 -18.8467 #+
20 O3a O 34.1008 -19.5430 #-
21 O3a O 32.8991 -17.4516
BOND 22
1 4 7 1 #Up
2 1 2 1
3 5 8 1 #Up
4 2 3 1
5 6 9 2
6 3 4 1
7 1 10 1 #Up
8 4 5 1
9 5 6 1
10 2 11 1 #Down
11 6 1 1
12 11 12 1
13 7 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 19 20 1
22 19 21 2
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