ATOM 28
1 C8y C 35.1864 -21.7503
2 C1b C 33.9756 -22.4522
3 C8x C 36.3914 -22.4522
4 C8x C 35.1805 -20.3521
5 C1y C 32.7647 -21.7503
6 C8y C 37.6023 -21.7503
7 C8y C 36.3914 -19.6501
8 C1y C 31.3607 -21.7503
9 C1x C 33.1974 -20.4223
10 C8y C 37.6023 -20.3521
11 O2a O 38.8190 -22.4463
12 O2a O 36.3914 -18.2521
13 C1b C 30.1498 -22.4522
14 C1x C 30.9278 -20.4223
15 O2x O 32.0627 -19.5975
16 O2a O 38.8132 -19.6501
17 C1a C 40.0299 -21.7503
18 C1a C 37.6023 -17.5501
19 C8y C 28.9389 -21.7503
20 C8x C 28.9449 -20.3521
21 C8x C 27.7340 -22.4522
22 C8y C 27.7457 -19.6501
23 C8x C 26.5231 -21.7503
24 C8y C 26.5231 -20.3463
25 O2x O 27.4590 -18.2755
26 O2x O 25.4818 -19.4045
27 C1x C 26.0610 -18.1233
28 C1a C 38.8106 -18.2506
BOND 31
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 3 6 1
6 4 7 2
7 5 8 1
8 5 9 1
9 6 10 2
10 6 11 1
11 7 12 1
12 8 13 1 #Down
13 8 14 1
14 9 15 1
15 10 16 1
16 11 17 1
17 12 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 20 22 1
22 21 23 2
23 22 24 2
24 22 25 1
25 24 26 1
26 25 27 1
27 7 10 1
28 14 15 1
29 23 24 1
30 26 27 1
31 16 28 1
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