ATOM 27
1 C1y C 24.9001 -18.7652
2 C8y C 26.1048 -19.4559
3 C1y C 23.6988 -19.4615
4 C5x C 24.9098 -17.3772
5 C8y C 26.1082 -20.8431
6 C8x C 27.3009 -18.7626
7 O2x O 22.5714 -18.7597
8 C1x C 23.7102 -20.8508
9 C8y C 23.7102 -16.6836
10 O5x O 26.1167 -16.6911
11 C8x C 27.3072 -21.5237
12 O2x O 24.9069 -21.5395
13 C8y C 28.4948 -19.4461
14 C8y C 22.5060 -17.3749
15 C8x C 23.7256 -15.3060
16 C8y C 28.5004 -20.8252
17 O2x O 29.8199 -19.0149
18 C8y C 21.3114 -16.6784
19 C8y C 22.5224 -14.5941
20 O2x O 29.8221 -21.2617
21 C1x C 30.6372 -20.1340
22 C8y C 21.3131 -15.2884
23 O2a O 20.1067 -17.3564
24 C8x C 22.2382 -13.2326
25 O2x O 20.2884 -14.3475
26 C1a C 20.1021 -18.7415
27 C8x C 20.8587 -13.0841
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 9 15 1
15 11 16 2
16 13 17 1
17 14 18 1
18 15 19 2
19 16 20 1
20 17 21 1
21 18 22 2
22 18 23 1
23 19 24 1
24 22 25 1
25 23 26 1
26 24 27 2
27 8 12 1
28 9 14 2
29 13 16 1
30 19 22 1
31 20 21 1
32 25 27 1
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