ATOM 21
1 C1y C 27.0083 -17.8619
2 C8y C 25.6721 -17.4474
3 C1z C 27.0200 -19.2565
4 C8y C 28.2106 -17.1557
5 C8y C 24.8667 -18.5913
6 C8x C 25.0886 -16.1695
7 C1x C 25.7012 -19.7118
8 C1x C 28.2397 -19.9511
9 O1a O 27.0143 -20.6571
10 C8y C 29.4302 -17.8385
11 C8x C 28.1989 -15.7551
12 C8x C 23.4661 -18.4512
13 C8y C 23.6997 -16.0353
14 O2x O 29.3719 -19.2332
15 C8x C 30.5623 -17.1323
16 C8x C 29.4069 -15.0490
17 C8y C 22.8768 -17.1790
18 O1a O 23.1102 -14.7573
19 C8y C 30.6206 -15.7377
20 O1a O 21.4820 -17.1791
21 O1a O 31.8286 -15.0199
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 2
13 8 14 1
14 10 15 1
15 11 16 2
16 12 17 2
17 13 18 1
18 15 19 2
19 17 20 1
20 19 21 1
21 5 7 1
22 10 14 1
23 13 17 1
24 16 19 1
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