ATOM 21
1 C8y C 30.3657 -19.6202
2 C8y C 30.3717 -18.2746
3 C8y C 29.1957 -20.3106
4 C8y C 31.5300 -20.2989
5 C8x C 29.1898 -17.5960
6 O2x O 31.5417 -17.6077
7 C8y C 28.0198 -19.6379
8 O1a O 29.2074 -21.6679
9 C8x C 32.7001 -19.6319
10 O5x O 31.5242 -21.6562
11 C8y C 28.0081 -18.2746
12 C8y C 32.7061 -18.2863
13 C2x C 26.9490 -20.5036
14 O2x O 26.9316 -17.4322
15 C1a C 33.8878 -17.6136
16 C2x C 25.6152 -20.2229
17 C1x C 25.5917 -17.7481
18 C1z C 25.0184 -18.9941
19 C1b C 23.4857 -17.9996
20 O1a O 23.6905 -19.9244
21 O1a O 22.1050 -18.7544
BOND 23
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 5 11 2
11 6 12 1
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 2
16 14 17 1
17 16 18 1
18 18 19 1
19 18 20 1
20 19 21 1
21 7 11 1
22 9 12 2
23 17 18 1
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