ATOM 25
1 C8x C 13.8669 -15.4776
2 C8y C 13.8669 -16.8782
3 C8x C 15.0574 -17.5785
4 C8y C 16.3179 -16.8782
5 C8y C 16.3179 -15.4776
6 C8y C 15.0574 -14.7773
7 C5x C 17.5085 -17.5785
8 C8y C 18.6990 -16.8782
9 C8y C 18.6990 -15.4776
10 C5x C 17.5085 -14.7773
11 C8x C 19.9597 -17.5785
12 C8y C 21.1502 -16.8782
13 C8y C 21.1502 -15.4776
14 C8y C 19.9597 -14.7773
15 O5x O 17.5085 -13.3766
16 O5x O 17.5085 -18.9792
17 O1a O 15.0574 -13.3766
18 O1a O 12.6763 -17.5785
19 O1a O 19.9597 -13.3766
20 O2x O 22.4809 -17.2984
21 C1y C 23.3213 -16.1779
22 C1y C 22.4809 -15.0574
23 O2x O 24.6467 -15.7249
24 C2x C 24.6254 -14.3244
25 C2x C 23.2868 -13.9119
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 2
29 22 25 1
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