ATOM 20
1 C2x C 17.5000 -13.8600
2 C2x C 17.5000 -15.2600
3 C1y C 18.7124 -15.9600
4 C1y C 19.9249 -15.2600
5 C1y C 19.9249 -13.8600
6 C1y C 18.7124 -13.1600
7 C5x C 21.2564 -15.6926
8 N1y N 22.0793 -14.5600
9 C5x C 21.2564 -13.4274
10 O5x O 21.6875 -12.1006
11 O5x O 21.6875 -17.0194
12 C1x C 19.2148 -14.5123
13 C1b C 23.4500 -14.5600
14 C1c C 24.1500 -15.7724
15 C1b C 25.5498 -15.7724
16 C1b C 26.2403 -16.9680
17 C1b C 23.4596 -16.9679
18 C1a C 24.1623 -18.1452
19 C1b C 27.6497 -16.9680
20 C1a C 28.3377 -18.1595
BOND 22
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 9 10 2
12 7 11 2
13 6 12 1
14 3 12 1
15 8 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 14 17 1
20 17 18 1
21 16 19 1
22 19 20 1
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