ATOM 28
1 C1y C 23.8676 -23.2630
2 C1y C 25.2749 -23.2106
3 C1y C 23.4888 -24.6005
4 C1x C 23.3895 -21.9375
5 C1y C 25.6666 -21.8675
6 C1x C 25.7424 -24.5248
7 C8y C 22.2681 -25.3070
8 O2x O 24.6442 -25.3827
9 O2x O 24.4985 -21.0793
10 C8y C 26.7884 -21.0676
11 C8x C 21.0707 -24.6005
12 C8x C 22.2738 -26.6969
13 C8x C 27.9904 -21.7685
14 C8x C 26.7884 -19.6721
15 C8y C 19.8686 -25.3011
16 C8x C 21.0707 -27.3975
17 C8y C 29.2053 -21.0676
18 C8x C 27.9904 -18.9712
19 C8y C 19.8686 -26.6969
20 O2a O 18.6479 -24.6005
21 C8y C 29.2053 -19.6721
22 O2a O 30.4144 -21.7685
23 O2a O 18.6129 -27.4150
24 C1a C 17.4387 -25.3011
25 O2a O 30.4260 -18.9655
26 C1a C 31.6165 -21.0676
27 C1a C 17.3920 -26.7143
28 C1a C 31.6467 -19.6721
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1 #Down
7 3 8 1
8 4 9 1
9 5 10 1 #Down
10 7 11 1
11 7 12 2
12 10 13 1
13 10 14 2
14 11 15 2
15 12 16 1
16 13 17 2
17 14 18 1
18 15 19 1
19 15 20 1
20 17 21 1
21 17 22 1
22 19 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 23 27 1
27 25 28 1
28 5 9 1
29 6 8 1
30 16 19 2
31 18 21 2
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