ATOM 28
1 C1y C 22.4813 -15.6028
2 C1y C 21.2807 -14.8835
3 C1y C 21.3077 -13.4831
4 C1y C 22.5349 -12.8030
5 C1y C 23.7350 -13.5300
6 O2x O 23.7078 -14.9305
7 O1a O 20.0609 -15.5573
8 O1a O 20.1146 -12.7562
9 O1a O 22.5621 -11.4027
10 C1b C 24.9623 -12.8500
11 O1a O 24.9868 -11.4566
12 C8y C 22.4590 -17.0010
13 C8y C 21.2570 -17.7297
14 C8x C 21.2859 -19.1301
15 C8y C 22.5166 -19.8017
16 C8y C 23.6830 -17.6798
17 C8y C 23.6360 -19.0802
18 C8y C 24.9240 -19.7572
19 C8x C 26.1263 -19.0407
20 C8y C 26.1034 -17.6402
21 O2x O 24.8781 -16.9565
22 C1a C 22.5489 -21.2018
23 O1a O 20.0292 -17.0505
24 C1b C 27.3055 -16.9168
25 C5a C 28.5307 -17.6007
26 C1a C 29.7330 -16.8771
27 O5a O 28.5536 -19.0010
28 O5x O 24.9468 -21.1577
BOND 30
1 4 5 1
2 5 6 1
3 6 1 1
4 2 7 1 #Down
5 3 8 1 #Up
6 4 9 1 #Down
7 5 10 1 #Up
8 10 11 1
9 1 12 1 #Up
10 1 2 1
11 2 3 1
12 3 4 1
13 15 17 1
14 24 25 1
15 16 12 1
16 25 26 1
17 12 13 2
18 25 27 2
19 16 17 2
20 18 28 2
21 17 18 1
22 18 19 1
23 19 20 2
24 20 21 1
25 21 16 1
26 15 22 1
27 13 14 1
28 13 23 1
29 14 15 2
30 20 24 1
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