ATOM 22
1 C8y C 28.5907 -17.8504
2 C8y C 28.5850 -19.1949
3 C8y C 26.2758 -17.8444
4 C8x C 29.7600 -17.1838
5 C8y C 29.7541 -19.8730
6 O2x O 27.4334 -19.8730
7 C8y C 26.2701 -19.1889
8 C8x C 25.1009 -17.1838
9 C8y C 30.9233 -17.8619
10 C8y C 30.9174 -19.2006
11 O2a O 29.7483 -21.2758
12 C8y C 25.1243 -19.8730
13 C8x C 23.9433 -17.8678
14 O2a O 32.1334 -17.1663
15 O2a O 32.1274 -19.9021
16 C1a C 30.9583 -21.9773
17 C8y C 23.9608 -19.2124
18 O2a O 25.1416 -21.2175
19 C1a C 33.3434 -17.8678
20 C1a C 33.3375 -19.2065
21 O1a O 22.7568 -19.9196
22 C1a C 23.9376 -21.9307
BOND 24
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 2
9 5 10 2
10 5 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 12 17 2
17 12 18 1
18 14 19 1
19 15 20 1
20 17 21 1
21 18 22 1
22 6 7 1
23 9 10 1
24 13 17 1
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