ATOM 27
1 C1z C 22.5625 -24.4033
2 C1x C 22.5625 -25.7683
3 C5x C 23.7445 -26.4508
4 C1z C 24.9267 -25.7683
5 C5x C 24.9267 -24.4033
6 C1z C 23.7445 -23.7208
7 C1z C 26.2917 -24.4033
8 C1z C 26.2917 -25.7683
9 C1x C 27.4737 -26.4508
10 C1x C 28.6558 -25.7683
11 C1y C 28.6558 -24.4033
12 C1y C 27.4737 -23.7208
13 O5x O 23.8128 -25.0858
14 O5x O 23.7445 -27.8158
15 O1a O 21.1975 -24.4033
16 C1c C 21.8800 -23.2213
17 C1a C 20.5152 -23.2213
18 C1a C 21.8706 -22.0557
19 C1a C 23.0620 -22.5388
20 C1z C 24.4270 -22.5388
21 O2x O 25.2678 -22.5508
22 C1x C 25.6555 -24.8811
23 C1a C 24.9267 -27.1333
24 O1a O 26.2917 -27.1333
25 C1a C 29.8235 -23.7291
26 O1a O 27.4737 -22.3559
27 O1a O 24.4270 -21.1388
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 5 6 1
5 1 6 1
6 5 7 1
7 4 8 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 5 13 2
15 3 14 2
16 1 15 1 #Up
17 1 16 1 #Down
18 16 17 1
19 16 18 1
20 6 19 1 #Up
21 6 20 1
22 20 21 1
23 7 21 1 #Down
24 20 22 1
25 4 22 1 #Down
26 4 23 1 #Up
27 8 24 1 #Up
28 11 25 1 #Up
29 12 26 1 #Down
30 20 27 1 #Down
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