ATOM 28
1 C2y C 24.9089 -17.1795
2 C8y C 26.1207 -17.8785
3 C5x C 23.6913 -17.8728
4 C2x C 24.9148 -15.7756
5 C8y C 27.3323 -17.1854
6 C8y C 26.1090 -19.2826
7 C8y C 22.4854 -17.1678
8 O5x O 23.6856 -19.2709
9 C5x C 23.7030 -15.0706
10 C8y C 28.5382 -17.8902
11 O1a O 27.3323 -15.7872
12 C8x C 27.3149 -19.9874
13 C1a C 24.8856 -19.9758
14 C8y C 22.4913 -15.7697
15 C8x C 21.2854 -17.8669
16 O5x O 23.7089 -13.6667
17 C8y C 28.5325 -19.2883
18 C5x C 29.7557 -17.2028
19 C8y C 21.2854 -15.0648
20 C8y C 20.0679 -17.1678
21 C5x C 29.7441 -19.9932
22 C2x C 30.9616 -17.9018
23 O5x O 29.7615 -15.7989
24 C8x C 20.0679 -15.7697
25 O1a O 21.2854 -13.6610
26 C1a C 18.8503 -17.8669
27 C2x C 30.9557 -19.3000
28 O5x O 29.7382 -21.3972
BOND 31
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 2
14 7 15 1
15 9 16 2
16 10 17 2
17 10 18 1
18 14 19 1
19 15 20 2
20 17 21 1
21 18 22 1
22 18 23 2
23 19 24 2
24 19 25 1
25 20 26 1
26 21 27 1
27 21 28 2
28 9 14 1
29 12 17 1
30 20 24 1
31 22 27 2
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