ATOM 29
1 C8x C 12.6996 -17.0444
2 C8y C 12.6996 -18.4472
3 C8x C 13.8919 -19.1485
4 C8y C 15.1544 -18.4472
5 C8y C 15.1544 -17.0444
6 C8y C 13.8919 -16.3430
7 C5x C 16.3467 -19.1485
8 C8y C 17.5391 -18.4472
9 C8y C 17.5391 -17.0444
10 C5x C 16.3467 -16.3430
11 C8x C 18.8015 -19.1485
12 C8y C 19.9939 -18.4472
13 C8y C 19.9939 -17.0444
14 C8y C 18.8015 -16.3430
15 O5x O 16.3467 -14.9403
16 O5x O 16.3467 -20.5513
17 O1a O 13.8919 -14.9403
18 O1a O 11.5073 -19.1485
19 O1a O 18.8015 -14.9403
20 C1b C 22.1681 -17.7458
21 C1c C 21.3265 -16.6236
22 O1a O 23.5709 -17.7458
23 C1b C 21.6772 -15.2910
24 C1b C 23.0098 -14.9403
25 O7a O 23.4306 -13.5376
26 C7a C 24.7632 -13.1869
27 C1a C 25.1139 -11.8543
28 O6a O 25.7451 -14.1688
29 O1a O 21.1862 -19.1485
BOND 31
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 21 20 1 #Down
23 13 21 1
24 20 22 1
25 21 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 26 28 2
31 12 29 1
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