ATOM 44
1 C1y C 38.0571 -26.2967
2 O2x O 36.8063 -25.6018
3 C1y C 38.0571 -27.7559
4 O2a O 39.2383 -25.6018
5 C1y C 35.6250 -26.2967
6 C1y C 36.8063 -28.3813
7 O1a O 39.2383 -28.3813
8 C1y C 35.6250 -27.7559
9 C1b C 34.4438 -25.6018
10 O1a O 36.8063 -29.8405
11 O1a O 34.4438 -28.4508
12 O2a O 33.1235 -26.2967
13 C1b C 40.4196 -24.8375
14 C2y C 40.4196 -23.4477
15 C1y C 41.6009 -22.8224
16 C1y C 41.6009 -21.4326
17 C1y C 40.4196 -20.7378
18 O2x O 39.2383 -21.3631
19 C2x C 39.2383 -22.7529
20 C1y C 42.9211 -23.2393
21 C1y C 43.7549 -22.1275
22 C1z C 42.9211 -20.9462
23 C1b C 42.9211 -19.5565
24 O1a O 44.1024 -18.9311
25 O1a O 44.1024 -20.2514
26 O7a O 40.4196 -19.3480
27 C7a C 39.1688 -18.6532
28 C1b C 37.9876 -19.2786
29 C1c C 36.8063 -18.6532
30 C1a C 35.6250 -19.2786
31 O6a O 39.1688 -17.2635
32 O2x O 44.4498 -23.3783
33 C1y C 31.4336 -27.2000
34 O2x O 30.2469 -26.5147
35 C1y C 29.0434 -27.2094
36 C1y C 29.0432 -28.5992
37 C1y C 30.2298 -29.2845
38 C1y C 31.4334 -28.5897
39 O1a O 30.2296 -30.6741
40 C1b C 27.8212 -26.5036
41 O1a O 26.6331 -27.1896
42 O1a O 27.8294 -29.2999
43 O1a O 32.6536 -29.2945
44 C1a C 36.8060 -17.2201
BOND 48
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 9 12 1
12 6 8 1
13 4 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 14 19 2
21 15 20 1
22 20 21 1
23 21 22 1
24 16 22 1
25 22 23 1
26 23 24 1
27 22 25 1 #Up
28 17 26 1 #Up
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 27 31 2
34 21 32 1 #Up
35 20 32 1 #Up
36 33 12 1 #Up
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 33 38 1
43 37 39 1 #Up
44 35 40 1 #Up
45 40 41 1
46 36 42 1 #Down
47 38 43 1 #Down
48 29 44 1
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