ATOM 20
1 C8y C 23.1323 -15.2921
2 N4y N 24.4132 -15.6986
3 C8y C 23.1323 -13.9373
4 N5x N 21.9560 -15.9758
5 C1y C 23.5449 -18.1128
6 C8x C 25.2016 -14.6209
7 N5x N 24.4195 -13.5247
8 C8y C 21.9560 -13.2659
9 C8y C 20.7919 -15.2921
10 O2x O 22.4549 -17.3307
11 C1y C 23.1323 -19.3939
12 N5x N 20.7919 -13.9373
13 N1a N 21.9498 -11.9296
14 N1a N 19.6342 -15.9572
15 C1y C 21.3770 -18.1128
16 C1y C 21.7835 -19.3939
17 O1a O 23.9206 -20.4778
18 C1b C 20.1084 -17.6941
19 O1a O 20.9952 -20.4716
20 O1a O 19.1045 -18.5871
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 8 12 2
12 8 13 1
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 1 #Down
17 15 18 1 #Up
18 16 19 1 #Down
19 18 20 1
20 6 7 2
21 9 12 1
22 15 16 1
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