ATOM 28
1 C2x C 30.7945 -25.7460
2 O2x O 30.7945 -24.3432
3 C1y C 31.9867 -23.6419
4 C1y C 33.1790 -24.3432
5 C1y C 33.1790 -25.7460
6 C2y C 31.9867 -26.4473
7 C1y C 34.3712 -23.6419
8 O2x O 35.6336 -24.3432
9 C1y C 35.6336 -25.7460
10 C1x C 34.3712 -26.4473
11 O1a O 36.8258 -26.3772
12 C7a C 31.9867 -27.7798
13 O6a O 30.7945 -28.4811
14 O7a O 33.1790 -28.4811
15 C1a C 34.3712 -27.8499
16 C1a C 34.3712 -22.2393
17 C1y C 28.3398 -19.9950
18 C1y C 28.3398 -21.3977
19 C1y C 29.5545 -22.0990
20 C1y C 30.7693 -21.3977
21 O2x O 30.7693 -19.9950
22 C1y C 29.5545 -19.2937
23 C1b C 29.5545 -17.8912
24 O1a O 27.1251 -19.2937
25 O1a O 28.3230 -17.1800
26 O1a O 27.1251 -22.0990
27 O1a O 29.5545 -23.5016
28 O2a O 32.0027 -22.1100
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Up
13 6 12 1
14 12 13 2
15 12 14 1
16 14 15 1
17 7 16 1 #Down
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 17 22 1
24 22 23 1 #Up
25 17 24 1 #Down
26 23 25 1
27 18 26 1 #Up
28 19 27 1 #Down
29 20 28 1 #Up
30 3 28 1 #Up
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