ATOM 29
1 O2a O 29.9038 -20.4011
2 C1y C 28.4981 -21.4655
3 O2x O 27.3041 -20.7637
4 C1y C 28.4907 -22.8578
5 C1y C 26.0907 -21.4513
6 C1y C 27.2793 -23.5424
7 O1a O 29.6898 -23.5624
8 C1y C 26.0783 -22.8408
9 C1b C 24.8969 -20.7496
10 O1a O 27.2720 -24.9348
11 O1a O 24.8720 -23.5284
12 O1a O 23.6969 -21.4322
13 C1y C 29.9072 -19.0167
14 C2y C 29.9072 -16.2376
15 O2x O 31.1072 -18.3234
16 C2x C 31.1072 -16.9310
17 C7a C 29.9072 -14.8455
18 O7a O 31.1012 -14.1638
19 O6a O 28.7075 -14.1521
20 C1a C 32.3010 -14.8512
21 C1y C 28.7146 -18.3203
22 C1y C 28.7075 -16.9310
23 C1x C 27.5008 -16.2425
24 C1y C 26.3012 -16.9434
25 O2x O 26.3085 -18.3327
26 C1y C 27.5152 -19.0211
27 C1b C 26.2963 -19.7111
28 O1a O 25.0884 -16.2515
29 O1a O 25.0930 -19.0027
BOND 31
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 21 13 1
6 22 14 1
7 13 15 1
8 14 16 2
9 14 17 1
10 17 18 1
11 17 19 2
12 18 20 1
13 15 16 1
14 13 1 1 #Up
15 4 6 1
16 4 7 1 #Down
17 5 8 1
18 5 9 1 #Up
19 6 10 1 #Up
20 21 22 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 26 21 1
26 8 11 1 #Down
27 26 27 1 #Down
28 6 8 1
29 24 28 1
30 9 12 1
31 27 29 1
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