ATOM 21
1 C1y C 28.6100 -16.8326
2 C5x C 28.6100 -18.2374
3 N1y N 30.0149 -18.2374
4 C1y C 30.0149 -16.8326
5 C1y C 31.3494 -18.6588
6 C1z C 32.1922 -17.5349
7 S2x S 31.3494 -16.4110
8 C1a C 33.1757 -18.5183
9 C1a C 33.1757 -16.5515
10 C6a C 31.8411 -19.9933
11 O6a O 33.2458 -19.9933
12 O6a O 30.9981 -21.1171
13 N1b N 27.4159 -16.1301
14 C5a C 26.2218 -16.8326
15 O5x O 27.4159 -18.9397
16 O5a O 26.2218 -18.2374
17 C1b C 25.0023 -16.1350
18 C2b C 23.8099 -16.8303
19 C2b C 22.5876 -16.1000
20 C1b C 21.3751 -16.8000
21 C1a C 20.1627 -16.1000
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 5 6 1
7 6 7 1
8 4 7 1
9 6 8 1
10 6 9 1
11 5 10 1 #Down
12 10 11 1
13 10 12 2
14 1 13 1 #Up
15 13 14 1
16 2 15 2
17 14 16 2
18 14 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 1
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