ATOM 20
1 C1z C 28.5641 -16.6606
2 O2a O 27.3460 -15.9613
3 C2x C 29.0071 -15.3145
4 C1x C 29.7122 -17.4999
5 C3b C 28.5582 -18.0768
6 C1y C 26.1280 -16.6723
7 C2x C 30.4232 -15.3145
8 C1y C 30.8662 -16.6606
9 N3a N 28.5524 -19.4872
10 O2x O 24.9099 -16.0079
11 C1y C 26.0756 -18.0651
12 O1a O 32.0841 -17.3717
13 C1y C 23.7211 -16.7247
14 C1y C 24.9625 -18.7704
15 O1a O 27.3403 -18.7412
16 C1y C 23.7561 -18.1001
17 C1b C 22.4914 -16.0429
18 O1a O 24.9625 -20.1575
19 O1a O 22.5438 -18.8054
20 O1a O 21.3141 -16.7597
BOND 21
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 6 2 1 #Up
6 3 7 2
7 4 8 1
8 5 9 3
9 6 10 1
10 6 11 1
11 8 12 1 #Down
12 10 13 1
13 11 14 1
14 11 15 1 #Down
15 13 16 1
16 13 17 1 #Up
17 14 18 1 #Up
18 16 19 1 #Down
19 17 20 1
20 7 8 1
21 14 16 1
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