ATOM 29
1 C8y C 32.8893 -17.4814
2 C8x C 34.1005 -18.1854
3 C8x C 35.3062 -17.4843
4 C8x C 35.3078 -16.0859
5 C8x C 34.1037 -15.3888
6 C8x C 32.8910 -16.0830
7 C8y C 28.0238 -20.2627
8 C8x C 28.0168 -21.6639
9 C8x C 29.2277 -22.3740
10 C8y C 30.4456 -21.6761
11 C8x C 30.4527 -20.2748
12 C8y C 29.2419 -19.5717
13 C1y C 23.1864 -20.2556
14 C1y C 23.1864 -21.6568
15 C1y C 24.4038 -22.3610
16 C1y C 25.6070 -21.6568
17 C1y C 25.6070 -20.2556
18 O2x O 24.4038 -19.5585
19 O2a O 26.8128 -19.5656
20 O1a O 31.6566 -22.3864
21 C7a C 29.2488 -18.1706
22 O7a O 30.4667 -17.4725
23 C1b C 31.6777 -18.1827
24 O6a O 28.0380 -17.4603
25 C1b C 21.9724 -19.5580
26 O1a O 24.4055 -23.7621
27 O1a O 21.9724 -22.3615
28 O1a O 26.8219 -22.3600
29 O1a O 20.7577 -20.2544
BOND 31
1 3 4 2
2 4 5 1
3 13 14 1
4 14 15 1
5 15 16 1
6 16 17 1
7 17 18 1
8 18 13 1
9 5 6 2
10 17 19 1 #Up
11 19 7 1
12 7 8 1
13 10 20 1
14 8 9 2
15 12 21 1
16 9 10 1
17 21 22 1
18 10 11 2
19 22 23 1
20 11 12 1
21 21 24 2
22 23 1 1
23 12 7 2
24 13 25 1 #Up
25 6 1 1
26 15 26 1 #Up
27 14 27 1 #Down
28 1 2 2
29 16 28 1 #Down
30 2 3 1
31 25 29 1
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