ATOM 22
1 C8y C 29.4232 -17.3073
2 C8y C 30.6403 -16.6142
3 O2x O 28.2175 -16.6026
4 C8y C 29.4173 -18.7051
5 C8x C 31.8459 -17.3189
6 C8x C 30.6403 -15.2164
7 C8y C 27.0002 -17.2956
8 C8y C 28.2059 -19.4040
9 O1a O 30.6286 -19.4157
10 C8y C 33.0632 -16.6259
11 C8y C 31.8576 -14.5174
12 C8y C 26.9943 -18.6935
13 C8x C 25.7946 -16.5967
14 O5x O 28.2000 -20.8019
15 C8y C 33.0691 -15.2280
16 O1a O 34.2748 -17.3306
17 O1a O 31.8635 -13.1196
18 C8x C 25.7946 -19.3981
19 C8y C 24.5773 -17.2956
20 O1a O 34.2864 -14.5291
21 C8x C 24.5773 -18.6935
22 O1a O 23.3600 -16.5967
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 2
12 7 13 1
13 8 14 2
14 10 15 2
15 10 16 1
16 11 17 1
17 12 18 1
18 13 19 2
19 15 20 1
20 18 21 2
21 19 22 1
22 8 12 1
23 11 15 1
24 19 21 1
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