ATOM 27
1 C1y C 29.2490 -24.8580
2 C1y C 29.2490 -26.1496
3 C1y C 30.4045 -26.7613
4 C1y C 31.4922 -26.1496
5 C1y C 31.4922 -24.8580
6 O2x O 30.4045 -24.1783
7 C2x C 31.3562 -20.1677
8 O2x O 31.3562 -21.4592
9 C1y C 32.4438 -22.1390
10 C1y C 33.5994 -21.4592
11 C1y C 33.5994 -20.1677
12 C2y C 32.4438 -19.5559
13 C1z C 34.6870 -22.1390
14 C1x C 35.8426 -21.4592
15 C1y C 35.8426 -20.1677
16 C6a C 32.4438 -18.2644
17 O6a O 31.3562 -17.5846
18 O6a O 33.5314 -17.5846
19 O1a O 36.9302 -18.9441
20 O1a O 36.1825 -23.0907
21 C1a C 34.7550 -24.1783
22 O2a O 32.4438 -23.4305
23 O1a O 32.6477 -26.7613
24 O1a O 30.4045 -28.0529
25 O1a O 28.1613 -26.7613
26 C1b C 28.1613 -24.1783
27 O1a O 27.0737 -24.8580
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 7 12 2
13 10 13 1
14 13 14 1
15 14 15 1
16 11 15 1
17 12 16 1
18 16 17 1
19 16 18 2
20 15 19 1 #Down
21 13 20 1 #Down
22 13 21 1 #Up
23 9 22 1 #Down
24 5 22 1 #Up
25 4 23 1 #Down
26 3 24 1 #Up
27 2 25 1 #Down
28 1 26 1 #Up
29 26 27 1
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