ATOM 31
1 C1y C 26.6700 -23.8000
2 C1x C 25.5500 -22.8900
3 C1y C 24.2200 -23.2400
4 C1x C 23.5900 -24.5000
5 C1y C 26.6700 -25.2000
6 C1x C 24.2200 -25.7600
7 C1z C 25.5500 -26.0400
8 C1x C 28.0000 -25.6200
9 C5x C 28.8400 -24.5000
10 C1z C 28.0000 -23.3800
11 O5x O 30.2400 -24.5000
12 C1b C 25.5500 -27.4400
13 O1a O 24.3600 -28.1400
14 O1a O 24.3600 -26.7400
15 C1d C 23.0300 -22.5400
16 O2a O 21.8400 -23.2400
17 C1y C 20.6276 -23.9400
18 O2x O 19.4321 -23.2496
19 C1y C 18.2196 -23.9495
20 C1y C 18.2194 -25.3495
21 C1y C 19.4149 -26.0399
22 C1y C 20.6274 -25.3400
23 O1a O 21.8566 -26.0500
24 O1a O 19.4147 -27.4398
25 O1a O 16.9966 -26.0554
26 C1b C 16.9884 -23.2385
27 O1a O 15.7915 -23.9295
28 O1a O 28.0000 -21.9800
29 C1a C 29.3523 -23.0177
30 C1a C 23.7300 -21.3276
31 C1a C 22.3300 -21.3276
BOND 33
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 1 10 1
12 9 11 2
13 7 12 1
14 12 13 1
15 7 14 1 #Down
16 3 15 1 #Up
17 15 16 1
18 17 16 1 #Up
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 22 23 1 #Down
26 21 24 1 #Up
27 20 25 1 #Down
28 19 26 1 #Up
29 26 27 1
30 10 28 1 #Down
31 10 29 1 #Up
32 15 30 1
33 15 31 1
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