ATOM 43
1 C1y C 25.9527 -16.9000
2 C1y C 26.6851 -15.7086
3 C8y C 24.5579 -16.8594
4 C2x C 26.6154 -18.1322
5 C1y C 28.0800 -15.6792
6 C5a C 26.6851 -14.3195
7 C8y C 23.8488 -18.0683
8 C8y C 23.8605 -15.6447
9 C2y C 28.0045 -18.0970
10 C8y C 29.2890 -15.0633
11 C1x C 28.7426 -16.9815
12 C8y C 25.2495 -13.3372
13 O5a O 27.8882 -13.6221
14 C8x C 22.4480 -18.0625
15 O1a O 24.5230 -19.1202
16 C8x C 22.4596 -15.6388
17 O1a O 24.8659 -14.5985
18 C1a C 28.6728 -19.3993
19 C8y C 30.4862 -15.7551
20 C8x C 29.2890 -13.6743
21 C8y C 25.2611 -11.9482
22 C8x C 24.0580 -14.0347
23 C8y C 21.7681 -16.8478
24 C8x C 31.6893 -15.0633
25 O1a O 30.4862 -17.1441
26 C8x C 30.4921 -12.9768
27 C8x C 24.0580 -11.2507
28 O1a O 26.4700 -11.2564
29 C8x C 22.8549 -13.3429
30 C8y C 20.3674 -16.8419
31 C8y C 31.6893 -13.6743
32 C8y C 22.8549 -11.9482
33 C8x C 19.5477 -15.7028
34 O2x O 19.5361 -17.9695
35 O1a O 32.9041 -12.9768
36 O1a O 21.6460 -11.2448
37 C8y C 18.2110 -16.1328
38 C8y C 18.2052 -17.5336
39 C8x C 17.0080 -15.4296
40 C8x C 17.0080 -18.2252
41 C8x C 15.7932 -16.1328
42 C8y C 15.7932 -17.5336
43 O1a O 14.5785 -18.2252
BOND 48
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1 #Down
10 5 11 1
11 6 12 1
12 6 13 2
13 7 14 2
14 7 15 1
15 8 16 1
16 8 17 1
17 9 18 1
18 10 19 2
19 10 20 1
20 12 21 2
21 12 22 1
22 14 23 1
23 19 24 1
24 19 25 1
25 20 26 2
26 21 27 1
27 21 28 1
28 22 29 2
29 23 30 1
30 24 31 2
31 27 32 2
32 30 33 2
33 30 34 1
34 31 35 1
35 32 36 1
36 33 37 1
37 34 38 1
38 37 39 1
39 38 40 1
40 39 41 2
41 40 42 2
42 42 43 1
43 9 11 1
44 16 23 2
45 26 31 1
46 29 32 1
47 37 38 2
48 41 42 1
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