ATOM 20
1 C8y C 26.8252 -18.4269
2 S4a S 28.0378 -17.7228
3 C8x C 26.8252 -19.8288
4 C8x C 25.6183 -17.7228
5 N1b N 29.2563 -18.4269
6 C8x C 25.6183 -20.5267
7 C8x C 24.4055 -18.4269
8 C8y C 30.4690 -17.7228
9 C8y C 24.4055 -19.8288
10 C8x C 31.7919 -18.1513
11 N5x N 30.4638 -16.3165
12 N1b N 23.1872 -20.5267
13 C8y C 32.6181 -17.0123
14 O2x O 31.7847 -15.8845
15 C5a C 21.9638 -19.8150
16 C1a C 20.7358 -20.5185
17 O5a O 21.9686 -18.3998
18 O3c O 27.0611 -16.7565
19 O3c O 29.0267 -16.7565
20 C1a C 34.0070 -17.0060
BOND 21
1 1 4 2
2 2 5 1
3 3 6 2
4 4 7 1
5 5 8 1
6 6 9 1
7 8 10 1
8 8 11 2
9 9 12 1
10 10 13 2
11 11 14 1
12 7 9 2
13 13 14 1
14 12 15 1
15 1 2 1
16 15 16 1
17 1 3 1
18 15 17 2
19 2 18 2
20 2 19 2
21 13 20 1
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