ATOM 24
1 C8y C 30.1580 -22.5654
2 C8y C 30.1580 -23.9713
3 C8y C 31.3530 -24.6743
4 C8y C 32.6183 -23.9713
5 C8y C 32.6183 -22.5654
6 C8x C 31.3530 -21.8624
7 C8y C 33.8134 -24.6743
8 C8y C 35.0084 -23.9713
9 C8x C 35.0084 -22.5654
10 O2x O 33.8134 -21.8624
11 O1a O 28.9629 -21.8624
12 C1a C 28.9629 -24.6743
13 O1a O 31.3530 -26.0802
14 O5x O 33.8134 -26.0802
15 C1b C 36.2034 -24.6743
16 C8y C 37.3985 -23.9713
17 C8x C 38.5935 -24.6743
18 C8y C 39.8588 -23.9713
19 C8y C 39.8588 -22.5654
20 C8x C 38.6638 -21.8624
21 C8x C 37.3985 -22.5654
22 O2x O 41.1945 -24.3931
23 C1x C 41.9677 -23.2683
24 O2x O 41.1945 -22.1436
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 1 11 1
13 2 12 1
14 3 13 1
15 7 14 2
16 8 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 18 22 1
25 22 23 1
26 23 24 1
27 19 24 1
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