ATOM 20
1 C1y C 22.4514 -14.7699
2 C1c C 22.4573 -16.1746
3 C5x C 23.6637 -14.0588
4 C1x C 21.2333 -14.0705
5 C1b C 21.2509 -16.8739
6 O1a O 23.6695 -16.8680
7 C1y C 23.6578 -12.6602
8 O5x O 24.8702 -14.7641
9 C1y C 21.2275 -12.6718
10 C1y C 20.0444 -16.1803
11 C1x C 22.4397 -11.9665
12 C1a C 24.8585 -11.9549
13 C1a C 20.0094 -11.9665
14 C1x C 18.8319 -16.8739
15 C1x C 20.0444 -14.7758
16 C5x C 17.6198 -16.1803
17 C5x C 18.8319 -14.0705
18 N1x N 17.6198 -14.7758
19 O5x O 16.4016 -16.8680
20 O5x O 18.8203 -12.6718
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 7 11 1
11 7 12 1 #Down
12 9 13 1 #Up
13 10 14 1
14 10 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 16 19 2
19 17 20 2
20 9 11 1
21 17 18 1
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