ATOM 28
1 C8y C 22.1199 -20.9299
2 C8y C 22.1199 -22.3298
3 C8y C 23.3323 -23.0298
4 C8y C 24.5448 -22.3298
5 C8x C 24.5448 -20.9299
6 O2x O 23.3323 -20.2299
7 C8x C 20.9075 -20.2299
8 C8y C 19.6950 -20.9299
9 C8x C 19.6950 -22.3298
10 C8x C 20.9075 -23.0298
11 O5x O 23.3323 -24.4296
12 O1a O 18.4639 -20.2189
13 C8y C 25.7759 -23.0408
14 C8y C 25.7756 -24.4297
15 C8y C 26.9878 -25.1300
16 C8y C 28.2004 -24.4303
17 C8x C 28.2007 -23.0414
18 C8y C 26.9884 -22.3411
19 O2a O 24.5512 -25.1363
20 C1a C 24.5512 -26.5363
21 C1b C 26.9875 -26.5294
22 O2a O 29.4195 -25.1345
23 C1a C 30.6192 -24.4421
24 C2b C 28.1999 -27.2294
25 O1a O 26.9885 -20.9303
26 C2c C 28.1999 -28.6294
27 C1a C 26.9948 -29.3252
28 C1a C 29.4202 -29.3339
BOND 30
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 3 11 2
13 8 12 1
14 4 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 14 19 1
22 19 20 1
23 15 21 1
24 16 22 1
25 22 23 1
26 21 24 1
27 18 25 1
28 24 26 2
29 26 27 1
30 26 28 1
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