ATOM 46
1 C1z C 26.0568 -17.5308
2 C1y C 27.2216 -18.1596
3 C1y C 24.9751 -18.0774
4 O2x O 27.1981 -16.8657
5 C1y C 26.0216 -16.2194
6 C1y C 27.4561 -19.4417
7 C1y C 28.2624 -17.4533
8 C1z C 24.5166 -19.2180
9 C2x C 23.9583 -17.2539
10 C1z C 28.2796 -13.0477
11 C1y C 27.1454 -15.5250
12 C1a C 24.8695 -15.6022
13 C1z C 26.5798 -20.4117
14 O2x O 27.7320 -20.5282
15 C1z C 28.3031 -16.1547
16 O2x O 29.5911 -17.7948
17 C1y C 25.2755 -20.3589
18 C5x C 23.2110 -19.2234
19 O1a O 24.1693 -20.5525
20 C2y C 22.8826 -17.9835
21 O2x O 28.2856 -15.1175
22 C8y C 28.2739 -12.2322
23 C1b C 27.2334 -21.5343
24 C2c C 29.4210 -15.4898
25 O1a O 25.2637 -21.6575
26 O5x O 22.4004 -20.2462
27 C1a C 21.6533 -17.5131
28 C8x C 29.3904 -11.5740
29 C8x C 27.1395 -11.5915
30 O1a O 28.5448 -21.5343
31 C1a C 29.3963 -14.1841
32 C2a C 30.5552 -16.1313
33 C8x C 29.3846 -10.2566
34 C8x C 27.1395 -10.2743
35 C8x C 28.2621 -9.6319
36 O7a O 27.1339 -14.0589
37 C7a C 25.9930 -13.4071
38 C2b C 24.8591 -14.0589
39 C2b C 23.7183 -13.4071
40 O6a O 25.9930 -12.0936
41 C8y C 22.5858 -14.0613
42 C8x C 21.4476 -13.4094
43 C8x C 20.3151 -14.0637
44 C8x C 20.3165 -15.3770
45 C8x C 21.4504 -16.0289
46 C8x C 22.5899 -15.3746
BOND 53
1 5 12 1 #Down
2 6 13 1
3 6 14 1
4 7 15 1
5 7 16 1 #Down
6 8 17 1
7 8 18 1
8 8 19 1 #Up
9 9 20 2
10 10 21 1
11 10 22 1
12 13 23 1 #Up
13 15 24 1 #Up
14 17 25 1 #Up
15 18 26 2
16 20 27 1
17 22 28 1
18 22 29 2
19 23 30 1
20 24 31 1
21 24 32 2
22 28 33 2
23 29 34 1
24 33 35 1
25 10 16 1
26 11 15 1
27 13 14 1
28 13 17 1
29 15 21 1 #Down
30 18 20 1
31 34 35 2
32 11 36 1 #Up
33 1 2 1
34 36 37 1
35 1 3 1
36 37 38 1
37 1 4 1 #Down
38 38 39 2
39 1 5 1
40 37 40 2
41 2 6 1
42 39 41 1
43 2 7 1
44 3 8 1
45 3 9 1
46 4 10 1
47 5 11 1
48 41 42 2
49 42 43 1
50 43 44 2
51 44 45 1
52 45 46 2
53 46 41 1
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