ATOM 27
1 C8x C 26.7885 -19.7320
2 C8y C 26.7885 -21.1288
3 C8x C 28.0011 -21.8271
4 C8y C 29.2065 -21.1288
5 C8y C 29.2065 -19.7320
6 C8x C 28.0011 -19.0336
7 C1y C 25.6120 -21.8412
8 O2x O 24.4789 -21.0170
9 C1x C 23.3459 -21.8412
10 C1y C 25.1772 -23.1687
11 C1y C 23.7851 -23.1621
12 C1y C 23.3484 -24.4844
13 O7x O 24.4711 -25.3079
14 C7x C 25.6013 -24.4949
15 O6a O 26.9277 -24.9327
16 C8y C 21.9969 -25.2908
17 C8x C 20.7914 -27.3859
18 C8x C 21.9969 -26.6875
19 C8x C 20.7914 -24.5924
20 C8y C 19.5789 -26.6875
21 C8y C 19.5855 -25.2953
22 O2x O 18.2634 -24.8589
23 C1x C 17.4399 -25.9815
24 O2x O 18.2529 -27.1116
25 O2a O 30.4165 -21.8261
26 O1a O 30.4165 -19.0345
27 C1a C 31.6257 -21.1269
BOND 31
1 2 3 1
2 10 7 1
3 14 15 2
4 7 8 1
5 12 16 1 #Up
6 8 9 1
7 9 11 1
8 3 4 2
9 20 17 2
10 17 18 1
11 18 16 2
12 16 19 1
13 19 21 2
14 4 5 1
15 5 6 2
16 6 1 1
17 10 11 1
18 20 21 1
19 21 22 1
20 22 23 1
21 23 24 1
22 24 20 1
23 11 12 1
24 7 2 1 #Up
25 12 13 1
26 4 25 1
27 13 14 1
28 5 26 1
29 14 10 1
30 25 27 1
31 1 2 2
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