ATOM 29
1 C8x C 12.6939 -17.0378
2 C8y C 12.6939 -18.4400
3 C8x C 13.8858 -19.1411
4 C8y C 15.1478 -18.4400
5 C8y C 15.1478 -17.0378
6 C8y C 13.8858 -16.3367
7 C5x C 16.3397 -19.1411
8 C8y C 17.5315 -18.4400
9 C8y C 17.5315 -17.0378
10 C5x C 16.3397 -16.3367
11 C8x C 18.7935 -19.1411
12 C8y C 19.9854 -18.4400
13 C8y C 19.9854 -17.0378
14 C8y C 18.7935 -16.3367
15 O5x O 16.3397 -14.9345
16 O5x O 16.3397 -20.5433
17 O1a O 13.8858 -14.9345
18 O1a O 11.5020 -19.1411
19 O1a O 18.7935 -14.9345
20 O2x O 21.3175 -18.8607
21 C1y C 22.1588 -17.7389
22 C1y C 21.3175 -16.6171
23 O1a O 23.5611 -17.7389
24 C1b C 21.6681 -15.2850
25 C1b C 23.0002 -14.9345
26 O7a O 23.4208 -13.5322
27 C7a C 24.7529 -13.1817
28 C1a C 25.1035 -11.8496
29 O6a O 25.7345 -14.1632
BOND 32
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 7 16 2
19 6 17 1
20 2 18 1
21 14 19 1
22 12 20 1
23 20 21 1
24 21 22 1
25 13 22 1
26 21 23 1 #Up
27 22 24 1 #Down
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 27 29 2
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