ATOM 21
1 C8y C 20.5374 -16.3329
2 N5x N 20.9692 -17.6694
3 S2x S 21.6753 -15.5101
4 C1b C 19.3994 -15.6152
5 C8y C 22.3756 -17.6694
6 C8x C 22.8075 -16.3329
7 N1c N 18.1505 -16.2630
8 C1b C 23.5078 -18.4514
9 C1a C 16.9658 -15.5101
10 C1a C 18.1622 -17.6635
11 S2a S 24.7273 -17.7452
12 C1b C 25.9412 -18.4514
13 C1b C 27.1492 -17.7452
14 N1b N 28.3689 -18.4514
15 C2c C 29.5826 -17.7452
16 C2b C 30.8023 -18.4514
17 N1b N 29.5826 -16.3446
18 N2b N 32.0161 -17.7452 #+
19 C1a C 28.3689 -15.6443
20 O3a O 33.2300 -18.4514
21 O3a O 32.0161 -16.3446 #-
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 7 9 1
9 7 10 1
10 8 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 2
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 2
20 18 21 1
21 5 6 2
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