ATOM 22
1 C1y C 25.1533 -17.7043
2 C8y C 23.8226 -17.2783
3 C8y C 26.3731 -16.9982
4 C1z C 25.1533 -19.0993
5 C8y C 23.0054 -18.4047
6 C8x C 23.2624 -16.0001
7 C8y C 27.5813 -17.7043
8 C8x C 26.3790 -15.5974
9 C1x C 23.8226 -19.5311
10 C1x C 26.3731 -19.8055
11 O1a O 25.1475 -20.5059
12 C8x C 21.6223 -18.2531
13 C8y C 21.8733 -15.8542
14 O2x O 27.5813 -19.0993
15 C8y C 28.8652 -17.0099
16 C8x C 27.5987 -14.9030
17 C8y C 21.0504 -16.9806
18 O1a O 21.3014 -14.5702
19 C8y C 28.8068 -15.6149
20 O1a O 30.0092 -17.7160
21 O1a O 19.6553 -16.8289
22 O1a O 30.0267 -14.9147
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 4 11 1 #Up
11 5 12 1
12 6 13 2
13 7 14 1
14 7 15 1
15 8 16 2
16 12 17 2
17 13 18 1
18 15 19 2
19 15 20 1
20 17 21 1
21 19 22 1
22 5 9 1
23 10 14 1
24 13 17 1
25 16 19 1
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