ATOM 20
1 C8y C 23.2314 -17.0329
2 C8y C 23.2373 -15.6296
3 C8y C 21.8980 -17.4581
4 C5x C 24.4484 -17.7317
5 N4x N 21.9037 -15.1929
6 C1x C 24.4484 -14.9308
7 C8y C 21.0710 -16.3224
8 C1b C 21.4554 -18.7915
9 C1y C 25.6538 -17.0329
10 O5x O 24.4543 -19.1292
11 C1x C 25.6538 -15.6353
12 C1a C 19.6735 -16.3167
13 C1a C 20.0869 -19.0769
14 C1b C 26.8650 -17.7317
15 N1y N 28.0820 -17.0329
16 C1x C 29.2874 -17.7317
17 C1x C 28.0704 -15.6353
18 C1x C 30.4987 -17.0329
19 C1x C 29.2817 -14.9308
20 O2x O 30.4987 -15.6296
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 1
14 14 15 1
15 15 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 5 7 1
21 9 11 1
22 19 20 1
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