ATOM 44
1 C8y C 18.6230 -13.7252
2 C8y C 18.6171 -15.1323
3 C8y C 19.8484 -13.0217
4 O2x O 17.4094 -13.0100 #+
5 O2a O 19.7251 -15.7713
6 C8x C 17.3977 -15.8299
7 C8x C 21.0677 -13.7310
8 C8x C 19.8484 -11.6089
9 C8y C 16.1840 -13.7135
10 C1y C 21.0442 -16.5452
11 C8y C 16.1781 -15.1206
12 C8y C 22.3630 -13.0274
13 C8y C 21.0737 -10.9054
14 C8x C 14.9647 -13.0043
15 O2x O 21.0442 -17.9463
16 C1y C 22.2638 -15.8416
17 C8y C 14.9647 -15.8241
18 C8y C 22.2988 -11.6146
19 R R 23.5066 -13.7310
20 C8y C 13.7452 -13.7135
21 C1y C 22.2638 -18.6498
22 C1y C 23.4713 -16.5452
23 O1a O 22.2638 -14.5812
24 C8x C 13.7452 -15.1206
25 O1a O 14.9647 -17.2252
26 O1a O 23.5123 -10.9171
27 O1a O 12.5316 -13.0159
28 C1y C 23.4713 -17.9463
29 C1b C 22.2638 -20.0511
30 O1a O 24.6907 -15.8416
31 O1a O 24.6907 -18.6441
32 O7a O 21.0501 -20.7547
33 C7a C 19.8242 -20.0498
34 C2b C 18.6237 -20.7459
35 O6a O 19.8218 -18.6525
36 C2b C 17.4334 -20.0615
37 C8y C 16.2429 -20.7518
38 C8x C 15.0477 -20.0645
39 C8x C 13.8344 -20.7678
40 C8y C 13.8368 -22.1702
41 C8x C 15.0322 -22.8576
42 C8x C 16.2454 -22.1542
43 O1a O 12.6117 -22.8808
44 R R 21.0769 -9.5371
BOND 48
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 10 5 1 #Up
10 6 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 10 16 1
16 11 17 1
17 12 18 2
18 12 19 1
19 14 20 2
20 15 21 1
21 16 22 1
22 16 23 1 #Down
23 17 24 2
24 17 25 1
25 18 26 1
26 20 27 1
27 21 28 1
28 21 29 1 #Up
29 22 30 1 #Up
30 28 31 1 #Down
31 29 32 1
32 9 11 2
33 13 18 1
34 20 24 1
35 22 28 1
36 32 33 1
37 33 34 1
38 33 35 2
39 34 36 2
40 36 37 1
41 37 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 37 42 1
47 40 43 1
48 13 44 1
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