ATOM 22
1 C1y C 28.5031 -15.2481
2 C1y C 27.9078 -16.5261
3 C1x C 27.9019 -13.9873
4 O7x O 29.9038 -15.4231
5 C1y C 26.5304 -16.8355
6 C2y C 28.9350 -17.4892
7 C2y C 26.5304 -13.6839
8 C7x C 30.1663 -16.8064
9 C1y C 25.4332 -15.9542
10 O1a O 26.2153 -18.1953
11 C2a C 28.7598 -18.8725
12 C2y C 25.4332 -14.5594
13 C1a C 26.2153 -12.3241
14 O6a O 31.4328 -17.4017
15 C1a C 24.1726 -16.5612
16 C1b C 24.2310 -13.8648
17 C1b C 23.0169 -14.5594
18 C1b C 23.0169 -15.9542
19 O7a O 21.8030 -16.6488
20 C7a C 20.6066 -15.9485
21 C1a C 19.3925 -16.6429
22 O6a O 20.6123 -14.5535
BOND 23
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 4 8 1
8 5 9 1
9 5 10 1 #Down
10 6 11 2
11 7 12 2
12 7 13 1
13 8 14 2
14 9 15 1 #Down
15 12 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 20 22 2
22 6 8 1
23 9 12 1
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