ATOM 28
1 C8y C 25.8547 -22.4113
2 C8y C 24.6446 -21.7039
3 C8y C 27.0647 -21.7215
4 C8y C 25.8430 -23.8084
5 C8y C 24.6506 -20.3069
6 C8x C 23.4463 -22.4054
7 C8y C 27.0764 -20.3186
8 C7x C 28.3975 -22.1657
9 C8x C 27.0531 -24.5039
10 C8x C 24.6329 -24.4922
11 C8y C 25.8664 -19.6111
12 C8x C 23.4463 -19.6054
13 C8y C 22.2305 -21.7039
14 C1x C 28.4152 -19.8917
15 O7x O 29.2335 -21.0375
16 O6a O 28.8185 -23.4985
17 C8y C 27.0473 -25.9011
18 C8x C 24.6212 -25.8894
19 O1a O 25.8723 -18.2141
20 C8y C 22.2305 -20.3069
21 O2a O 21.0204 -22.4054
22 C8y C 25.8255 -26.5967
23 O2x O 28.0819 -26.8540
24 O2a O 21.0204 -19.6054
25 C1a C 19.8104 -21.7039
26 O2x O 26.1061 -27.9762
27 C1x C 27.5031 -28.1341
28 C1a C 19.8104 -20.3069
BOND 32
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 1
17 10 18 2
18 11 19 1
19 12 20 2
20 13 21 1
21 17 22 2
22 17 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 23 27 1
27 24 28 1
28 7 11 2
29 13 20 1
30 14 15 1
31 18 22 1
32 26 27 1
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