ATOM 28
1 C2y C 24.6400 -21.4900
2 C2x C 24.6400 -22.8900
3 C1y C 25.8300 -23.5900
4 C1y C 27.0200 -22.8900
5 C1z C 27.0200 -21.4900
6 C5x C 25.8300 -20.7900
7 C1x C 28.2800 -23.5900
8 C1y C 29.4700 -22.8900
9 C1z C 29.4700 -21.4900
10 C1y C 28.2800 -20.7900
11 O7x O 30.7300 -23.5900
12 C7x C 31.9200 -22.8900
13 C1x C 31.9200 -21.4900
14 C1z C 30.7300 -20.7900
15 C1y C 30.7300 -19.3900
16 C1y C 29.4700 -18.6900
17 C1y C 28.2800 -19.3900
18 O2a O 23.3100 -20.7900
19 C1a C 22.1200 -21.4900
20 O6a O 33.1100 -23.5900
21 C1a C 31.9200 -18.6900
22 O5x O 25.8300 -19.3900
23 C1a C 27.0200 -20.1600
24 C1a C 29.4700 -20.2300
25 C1a C 25.8300 -25.0600
26 O1a O 29.4528 -17.2901
27 O1a O 27.2047 -18.4149
28 O1a O 30.7128 -22.1899
BOND 31
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1 #Down
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 17 10 1
21 1 18 1
22 18 19 1
23 12 20 2
24 15 21 1 #Down
25 6 22 2
26 5 23 1 #Up
27 9 24 1 #Up
28 3 25 1 #Down
29 16 26 1 #Up
30 17 27 1 #Down
31 14 28 1 #Up
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