ATOM 41
1 C8x C 19.5237 -21.4294
2 C8y C 18.3143 -22.1358
3 C8x C 18.3101 -23.5170
4 C8y C 19.5505 -24.2522
5 C8y C 20.6899 -23.5458
6 C8y C 20.7288 -22.1042
7 O1a O 21.9382 -21.3978
8 O1a O 17.1092 -21.4610
9 O1a O 19.5463 -25.6334
10 C1b C 21.9650 -24.2206
11 C1y C 21.9608 -25.6018
12 C8y C 22.4510 -27.8295
13 C8y C 23.6604 -27.1231
14 C1y C 23.3522 -25.7623
15 O2x O 21.4171 -26.8925
16 C8x C 22.4581 -29.2300
17 C8y C 23.6746 -29.9242
18 C8y C 24.8840 -29.2178
19 C8y C 24.8769 -27.8172
20 C1x C 26.1004 -29.9119
21 C1y C 27.3098 -29.2055
22 C1y C 27.3027 -27.8050
23 O2x O 26.0862 -27.1108
24 C8y C 24.5615 -25.0559
25 C8y C 28.5121 -27.0986
26 O1a O 28.5283 -29.9009
27 C8x C 29.7475 -27.8033
28 C8y C 30.9567 -27.0967
29 C8y C 30.9495 -25.6962
30 C8x C 29.7141 -24.9915
31 C8x C 28.5048 -25.6981
32 O1a O 32.1494 -24.9951
33 O1a O 32.1566 -27.7812
34 C8x C 25.7780 -25.7500
35 C8x C 26.9173 -25.0436
36 C8y C 26.9803 -23.6430
37 C8y C 25.7638 -22.9489
38 C8x C 24.5545 -23.6553
39 O1a O 28.1897 -22.9366
40 O1a O 25.7570 -21.5678
41 O1a O 23.6816 -31.3464
BOND 46
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 6 7 1
8 2 8 1
9 4 9 1
10 5 10 1
11 11 10 1 #Up
12 12 13 1
13 13 14 1
14 14 11 1
15 11 15 1
16 12 15 1
17 12 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 13 19 2
22 18 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 23 1
27 14 24 1 #Down
28 22 25 1 #Down
29 21 26 1 #Up
30 25 27 2
31 27 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 25 31 1
36 29 32 1
37 28 33 1
38 24 34 1
39 34 35 2
40 35 36 1
41 36 37 2
42 37 38 1
43 24 38 2
44 36 39 1
45 37 40 1
46 17 41 1
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