ATOM 25
1 C8x C 13.7930 -16.1731
2 C8y C 13.7930 -17.5733
3 C8x C 14.9832 -18.2734
4 C8y C 16.2434 -17.5733
5 C8y C 16.2434 -16.1731
6 C8y C 14.9832 -15.4730
7 C5x C 17.4336 -18.2734
8 C8y C 18.6238 -17.5733
9 C8y C 18.6238 -16.1731
10 C5x C 17.4336 -15.4730
11 C8x C 19.8841 -18.2734
12 C8y C 21.0743 -17.5733
13 C8y C 21.0743 -16.1731
14 C8y C 19.8841 -15.4730
15 O5x O 17.4336 -14.0727
16 O5x O 17.4336 -19.6737
17 O1a O 14.9832 -14.0727
18 O1a O 12.6028 -18.2734
19 O1a O 19.8841 -14.0727
20 O2x O 22.4046 -17.9934
21 C1y C 23.2448 -16.8732
22 C1y C 22.4046 -15.7530
23 O2x O 24.5698 -16.4203
24 C1x C 24.5485 -15.0202
25 C1x C 23.2103 -14.6078
BOND 29
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 7 16 2
19 6 17 1
20 2 18 1
21 14 19 1
22 12 20 1
23 20 21 1
24 21 22 1
25 13 22 1
26 21 23 1
27 23 24 1
28 24 25 1
29 22 25 1
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