ATOM 24
1 C1y C 28.0029 -17.9571
2 C1y C 29.1567 -18.6581
3 C1z C 26.7855 -18.6709
4 C1x C 27.9901 -16.5357
5 C1y C 30.4567 -17.9443
6 C1x C 29.2073 -19.9902
7 C2y C 26.7855 -20.0730
8 C1x C 25.5744 -17.9763
9 C1a C 26.7727 -17.2814
10 C1x C 29.2201 -15.8219
11 C1z C 30.4630 -16.5231
12 C1x C 28.0156 -20.7741
13 C2x C 25.5744 -20.7806
14 C1x C 24.3699 -18.6709
15 C1a C 30.3867 -15.1336
16 C5x C 24.3699 -20.0730
17 O5x O 23.1652 -20.7551
18 C1x C 32.8816 -17.8850
19 C1x C 32.8879 -16.5339
20 C1y C 31.6785 -15.8285
21 O7a O 31.6785 -14.4285
22 C7a C 32.9181 -13.7126
23 C1a C 34.1201 -14.4065
24 O6a O 32.9181 -12.3126
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 2
13 8 14 1
14 11 15 1 #Up
15 13 16 1
16 16 17 2
17 7 12 1
18 10 11 1
19 14 16 1
20 5 18 1
21 18 19 1
22 19 20 1
23 11 20 1
24 20 21 1 #Up
25 21 22 1
26 22 23 1
27 22 24 2
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