ATOM 22
1 C8y C 31.6581 -20.2275
2 C8x C 32.8628 -20.9321
3 C8x C 34.0763 -20.2304
4 C8x C 34.0780 -18.8313
5 C8x C 32.8662 -18.1339
6 C8x C 31.6598 -18.8284
7 C8x C 21.9610 -18.8063
8 C8x C 21.9610 -20.2081
9 C8x C 23.1788 -20.9126
10 C8x C 23.1788 -18.1088
11 C8y C 24.3826 -18.8063
12 C8y C 24.3767 -20.2081
13 C8x C 25.5888 -20.9177
14 C8x C 26.8068 -20.2184
15 C8y C 26.8128 -18.8166
16 C8x C 25.6007 -18.1139
17 O2a O 28.0195 -18.1229
18 C1c C 29.2312 -18.8203
19 C5a C 29.2282 -20.2223
20 C1a C 30.4474 -18.1249
21 O5a O 28.0115 -20.9241
22 N1b N 30.4416 -20.9294
BOND 24
1 4 5 1
2 5 6 2
3 6 1 1
4 1 2 2
5 2 3 1
6 11 12 1
7 12 13 1
8 13 14 2
9 14 15 1
10 15 16 2
11 16 11 1
12 3 4 2
13 15 17 1
14 7 8 2
15 17 18 1
16 8 9 1
17 18 19 1
18 9 12 2
19 18 20 1
20 11 10 2
21 19 21 2
22 10 7 1
23 19 22 1
24 22 1 1
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