ATOM 41
1 C8x C 31.2145 -16.5574
2 C8y C 31.2145 -17.9598
3 C8x C 32.4065 -18.6610
4 C8x C 33.5986 -17.9598
5 C8x C 33.5986 -16.5574
6 C8x C 32.4065 -15.8562
7 C1b C 29.9524 -18.6610
8 O2a O 28.7604 -17.9598
9 C1y C 27.5683 -18.6610
10 O2x O 26.3763 -17.9598
11 C1y C 25.1843 -18.6610
12 C1y C 25.1843 -20.0634
13 C1y C 26.3763 -20.7646
14 C1y C 27.5683 -20.0634
15 O2a O 26.3763 -22.1669
16 C1b C 23.9222 -17.9598
17 O1a O 22.7301 -18.6610
18 O1a O 23.9222 -20.7646
19 O2a O 28.8305 -20.7646
20 C1y C 30.0225 -21.4658
21 C1y C 30.0225 -22.8681
22 C1y C 31.2145 -23.5693
23 C1y C 32.4767 -22.8681
24 C1y C 32.4767 -21.4658
25 O2x O 31.2145 -20.7646
26 O1a O 31.2145 -24.9717
27 C1b C 33.6687 -20.7646
28 O1a O 28.8305 -23.5693
29 O1a O 33.6687 -23.5693
30 O1a O 34.8607 -21.4658
31 C1y C 25.1619 -22.8681
32 O2x O 23.9643 -22.1766
33 C1y C 22.7498 -22.8776
34 C1y C 22.7496 -24.2800
35 C1y C 23.9471 -24.9716
36 C1y C 25.1617 -24.2705
37 C1b C 21.5165 -22.1654
38 O1a O 23.9469 -26.3739
39 O1a O 21.5247 -24.9871
40 O1a O 26.3930 -24.9817
41 O1a O 20.3176 -22.8576
BOND 44
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 9 8 1 #Up
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 9 14 1
16 13 15 1 #Up
17 11 16 1 #Up
18 16 17 1
19 12 18 1 #Down
20 14 19 1 #Down
21 20 19 1 #Down
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 22 26 1 #Up
29 24 27 1 #Up
30 21 28 1 #Down
31 23 29 1 #Down
32 27 30 1
33 31 15 1 #Up
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 31 36 1
40 33 37 1 #Up
41 35 38 1 #Up
42 34 39 1 #Down
43 36 40 1 #Down
44 37 41 1
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