ATOM 41
1 C8y C 29.0437 -24.8765
2 C8y C 29.0437 -23.4884
3 C5x C 30.2236 -25.5705
4 C8x C 27.7944 -25.5705
5 C5x C 30.2236 -22.7943
6 C8y C 27.7944 -22.7943
7 C8y C 31.4034 -24.8765
8 O5x O 30.2236 -26.9586
9 C8y C 26.6145 -24.8765
10 C8y C 31.4034 -23.4884
11 O5x O 30.2236 -21.4063
12 C8x C 26.6145 -23.4884
13 O2a O 27.7944 -21.4063
14 C8x C 32.5833 -25.5705
15 O2a O 25.4347 -25.5705
16 C8y C 32.6527 -22.8637
17 C8y C 33.8326 -24.9459
18 C1y C 24.1854 -24.8765
19 C8x C 33.8326 -23.5578
20 O1a O 32.6527 -21.4757
21 C1a C 35.0124 -25.6399
22 C1y C 23.0055 -25.5705
23 O2x O 24.1854 -23.4884
24 C1y C 21.8257 -24.8765
25 O1a O 23.0055 -26.9586
26 C1y C 23.0055 -22.7943
27 C1y C 21.8257 -23.4884
28 O1a O 20.5764 -25.5705
29 C1a C 23.0055 -21.4063
30 O1a O 20.5764 -22.7943
31 C1y C 26.6145 -19.8100
32 O2x O 26.6145 -18.4219
33 C1y C 25.4347 -17.7278
34 C1y C 24.1854 -18.4219
35 C1y C 24.1854 -19.8100
36 C1y C 25.4347 -20.5040
37 O1a O 23.0055 -20.5040
38 C1b C 25.4347 -16.3398
39 O1a O 23.0055 -17.7278
40 O1a O 25.4347 -21.8921
41 O1a O 26.6145 -15.6457
BOND 45
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 9 15 1
15 10 16 1
16 14 17 2
17 18 15 1 #Up
18 16 19 2
19 16 20 1
20 17 21 1
21 18 22 1
22 18 23 1
23 22 24 1
24 22 25 1 #Down
25 23 26 1
26 24 27 1
27 24 28 1 #Down
28 26 29 1 #Down
29 27 30 1 #Up
30 7 10 2
31 9 12 1
32 17 19 1
33 26 27 1
34 31 13 1 #Up
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 31 36 1
41 35 37 1 #Up
42 33 38 1 #Up
43 34 39 1 #Down
44 36 40 1 #Down
45 38 41 1
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