ATOM 33
1 C1y C 26.8374 -23.8891
2 O2x O 25.5713 -23.1857
3 C1y C 26.8374 -25.3664
4 O2a O 28.0332 -23.1857
5 C1y C 24.3754 -23.8891
6 C1y C 25.5713 -25.9995
7 O1a O 28.0332 -25.9995
8 C1y C 24.3754 -25.3664
9 C1b C 23.1796 -23.1857
10 O1a O 25.5713 -27.4766
11 O1a O 23.1796 -26.0698
12 O1a O 21.9135 -23.8891
13 C1b C 29.2290 -22.4823
14 C2y C 29.2290 -21.0755
15 C1y C 30.4248 -20.4424
16 C1y C 30.4248 -19.0356
17 C1y C 29.2290 -18.3321
18 O2x O 28.0332 -18.9653
19 C2x C 28.0332 -20.3721
20 C1x C 31.7614 -20.8645
21 C1y C 32.6054 -19.7390
22 C1z C 31.7614 -18.5432
23 C1b C 31.7614 -17.1363
24 O1a O 32.9571 -16.5033
25 O1a O 32.9571 -17.8397
26 O7a O 29.2290 -16.9253
27 C7a C 27.9629 -16.2219
28 C1b C 26.7671 -16.8550
29 C1c C 25.5713 -16.2219
30 C1a C 24.3754 -16.8550
31 O6a O 27.9629 -14.8151
32 C1a C 25.5713 -14.8252
33 O1a O 34.0199 -19.7595
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 9 12 1
12 6 8 1
13 4 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 14 19 2
21 15 20 1
22 20 21 1
23 21 22 1
24 16 22 1
25 22 23 1
26 23 24 1
27 22 25 1 #Down
28 17 26 1 #Up
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 27 31 2
34 29 32 1
35 21 33 1 #Up
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