ATOM 30
1 C1y C 31.9200 -19.6000
2 C1y C 31.9200 -21.0000
3 C1y C 33.1100 -21.7000
4 C1y C 34.3000 -21.0000
5 C1y C 34.3000 -19.6000
6 O2x O 33.1100 -18.9000
7 C1b C 35.4900 -18.9000
8 O1a O 35.4900 -21.7000
9 O1a O 33.1100 -23.1000
10 C8y C 23.3800 -21.3500
11 C8y C 23.3800 -22.7500
12 C8x C 22.1900 -23.4500
13 C8x C 21.0000 -22.7500
14 C8y C 21.0000 -21.3500
15 C8x C 22.1900 -20.6500
16 O2x O 24.5700 -20.6500
17 C1y C 25.7600 -21.3500
18 C1x C 25.7600 -22.7500
19 C5x C 24.5700 -23.4500
20 C8y C 26.9500 -20.6500
21 C8x C 26.9500 -19.2500
22 C8x C 28.2100 -18.5500
23 C8y C 29.4000 -19.2500
24 C8x C 29.4000 -20.6500
25 C8x C 28.2100 -21.3500
26 O5x O 24.5700 -24.8500
27 O1a O 19.7400 -20.6500
28 O2a O 30.5900 -18.5500
29 O1a O 36.7081 -19.5901
30 O1a O 30.7047 -21.6951
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Down
8 4 8 1 #Up
9 3 9 1 #Down
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 10 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 11 19 1
21 17 20 1 #Down
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 19 26 2
29 14 27 1
30 23 28 1
31 1 28 1 #Down
32 7 29 1
33 2 30 1 #Up
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