ATOM 27
1 C1y C 34.4832 -24.5910
2 O2x O 33.2494 -23.9056
3 C1y C 34.4832 -25.9619
4 O2a O 36.1282 -23.9056
5 C1y C 32.0842 -24.5910
6 C1y C 33.2494 -26.6473
7 O1a O 35.6484 -26.6473
8 C1z C 37.5676 -24.5910
9 C1y C 32.0842 -25.9619
10 C1b C 30.9189 -23.9056
11 O1a O 33.2494 -28.0867
12 C1x C 37.5676 -25.9619
13 C1z C 38.8014 -23.9056
14 O1a O 30.9189 -26.7158
15 O1a O 29.6851 -24.5910
16 C1x C 38.8014 -26.6473
17 C1z C 39.9667 -24.5910
18 C1x C 39.9667 -25.9619
19 C2b C 38.7483 -22.5348
20 C2b C 40.0009 -21.8711
21 C1c C 40.0009 -20.5002
22 C1a C 41.2233 -19.7945
23 O1a O 38.8306 -19.8239
24 O1a O 37.6142 -23.2201
25 C1a C 36.3805 -25.2764
26 C1a C 40.6521 -23.4038
27 C1a C 41.3375 -24.5910
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 1
17 16 18 1
18 6 9 1
19 17 18 1
20 13 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 21 23 1 #Up
25 13 24 1 #Down
26 8 25 1 #Down
27 17 26 1
28 17 27 1
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