ATOM 20
1 C1z C 29.1860 -19.9669
2 C1z C 27.7842 -19.3850
3 C5x C 30.0193 -18.9593
4 C1x C 30.0103 -21.0883
5 C1x C 30.5099 -20.0315
6 C1y C 27.9940 -17.9496
7 C5x C 26.4007 -19.8572
8 C1x C 26.7632 -20.7452
9 C1x C 29.3710 -17.7164
10 O5x O 31.4137 -18.9536
11 N1y N 29.1262 -22.5666
12 C1x C 31.0687 -21.3040
13 C1x C 26.8910 -17.0681
14 C1x C 25.2978 -18.9827
15 O5x O 25.4735 -21.1991
16 C1x C 26.7632 -21.8522
17 C1x C 27.7725 -22.5238
18 C1x C 30.3750 -22.5121
19 C1y C 25.5722 -17.5881
20 C1a C 24.5811 -16.5842
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 1
6 2 7 1 #Up
7 2 8 1 #Down
8 3 9 1
9 3 10 2
10 11 4 1 #Down
11 5 12 1
12 6 13 1 #Up
13 7 14 1
14 7 15 2
15 8 16 1
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 1 #Down
20 6 9 1
21 12 18 1
22 14 19 1
23 16 17 1
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