ATOM 28
1 O2a O 26.6883 -17.4010
2 C1y C 25.4908 -18.2765
3 O2x O 24.2998 -17.5710
4 C1y C 25.4829 -19.6584
5 C1y C 23.1032 -18.2626
6 C1y C 24.2842 -20.3347
7 O1a O 26.6910 -20.3518
8 C1y C 23.0956 -19.6445
9 C1b C 21.9074 -17.5649
10 O1a O 24.2815 -21.7197
11 O1a O 21.8919 -20.3288
12 O1a O 20.7172 -18.2513
13 C1y C 25.4589 -15.1213
14 C1z C 25.4705 -13.7425
15 C1y C 26.6770 -15.8071
16 C1z C 24.1499 -15.5343
17 C2y C 26.6770 -13.0434
18 C1x C 24.1616 -13.3117
19 O1a O 25.4589 -12.3635
20 O2x O 27.8577 -15.1272
21 C1x C 23.3473 -14.4107
22 C1a C 23.3708 -16.8243
23 O1a O 22.6718 -15.6250
24 C2x C 27.8577 -13.7425
25 C7a C 26.6770 -11.6644
26 O7a O 27.8634 -10.9786
27 O6a O 25.4646 -10.9786
28 C1a C 29.0558 -11.6644
BOND 30
1 4 6 1
2 4 7 1 #Down
3 5 8 1
4 5 9 1 #Up
5 6 10 1 #Up
6 8 11 1 #Down
7 6 8 1
8 9 12 1
9 2 1 1 #Up
10 2 3 1
11 2 4 1
12 3 5 1
13 13 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 14 19 1 #Up
19 15 20 1
20 16 21 1
21 16 22 1 #Down
22 16 23 1 #Up
23 17 24 2
24 17 25 1
25 25 26 1
26 25 27 2
27 26 28 1
28 18 21 1
29 20 24 1
30 15 1 1 #Up
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