ATOM 28
1 C1z C 28.8151 -22.7860
2 C1y C 30.0278 -23.4857
3 O2x O 27.6082 -22.0806
4 C1x C 28.8151 -24.1912
5 C1x C 28.8151 -21.3869
6 C1z C 31.2404 -22.7919
7 C1x C 30.0220 -22.0806
8 C8y C 26.3897 -22.7803
9 C1y C 27.5966 -24.8850
10 C1x C 30.0337 -20.6872
11 C1y C 31.2404 -21.3926
12 C1a C 32.6397 -22.7860
13 C1a C 31.9284 -23.9988
14 C8y C 26.3837 -24.1796
15 C8y C 25.1828 -22.0749
16 C1b C 27.5906 -26.2843
17 C8y C 25.1828 -24.8792
18 C8y C 23.9642 -22.7803
19 C4a C 25.1828 -20.6755
20 C1c C 28.8034 -26.9782
21 C8y C 23.9642 -24.1796
22 O1a O 25.1828 -26.2786
23 O1a O 22.7515 -22.0749
24 C1a C 30.0161 -26.2726
25 C1a C 28.8092 -28.3833
26 C4a C 22.7573 -24.8792
27 O4a O 22.7573 -26.2786
28 O4a O 23.9747 -19.9781
BOND 31
1 1 2 1
2 1 3 1 #Up
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 6 13 1
13 8 14 2
14 8 15 1
15 9 16 1 #Down
16 14 17 1
17 15 18 2
18 15 19 1
19 16 20 1
20 17 21 2
21 17 22 1
22 18 23 1
23 20 24 1
24 20 25 1
25 21 26 1
26 26 27 2
27 11 7 1 #Up
28 9 14 1
29 10 11 1
30 18 21 1
31 19 28 2
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