ATOM 40
1 C8y C 28.9529 -24.8674
2 C8y C 28.9529 -23.5318
3 C5x C 30.1480 -25.5704
4 C8x C 27.6876 -25.5704
5 C5x C 30.1480 -22.8288
6 C8y C 27.6876 -22.8288
7 C8y C 31.3431 -24.8674
8 O5x O 30.1480 -26.9764
9 C8y C 26.4925 -24.8674
10 C8y C 31.3431 -23.5318
11 O5x O 30.1480 -21.4228
12 C8x C 26.4925 -23.5318
13 O2a O 27.6876 -21.4228
14 C8x C 32.4679 -25.5704
15 C8y C 32.5382 -22.8991
16 C8y C 33.7333 -24.9377
17 C8x C 33.7333 -23.6021
18 O1a O 32.5382 -21.4931
19 C1a C 34.9283 -25.6407
20 C1y C 26.4925 -19.8059
21 O2x O 26.4925 -18.4000
22 C1y C 25.2974 -17.6970
23 C1y C 24.1024 -18.4000
24 C1y C 24.1024 -19.8059
25 C1y C 25.2974 -20.5089
26 O1a O 22.9073 -20.5089
27 C1b C 25.2974 -16.2910
28 O1a O 22.9073 -17.6970
29 O1a O 25.2974 -21.9149
30 O1a O 26.4925 -15.6584
31 O2a O 25.2753 -25.5637
32 C1z C 24.0950 -24.8758
33 C1x C 23.9548 -23.4864
34 O2x O 22.5901 -23.1905
35 C1x C 21.8869 -24.3969
36 C1z C 22.8169 -25.4385
37 O1a O 24.0156 -26.2780
38 O1a O 22.5182 -26.8170
39 C1b C 21.4148 -25.4385
40 O1a O 20.7065 -24.2110
BOND 44
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 10 15 1
15 14 16 2
16 15 17 2
17 15 18 1
18 16 19 1
19 7 10 2
20 9 12 1
21 16 17 1
22 20 13 1 #Up
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 24 26 1 #Up
30 22 27 1 #Up
31 23 28 1 #Down
32 25 29 1 #Down
33 27 30 1
34 9 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 32 36 1
41 32 37 1 #Down
42 36 38 1
43 36 39 1 #Up
44 39 40 1
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