ATOM 40
1 C1y C 23.4500 -22.0500
2 C1y C 23.4500 -23.4500
3 C1y C 24.6624 -24.1500
4 C1y C 25.8749 -23.4500
5 C1x C 25.8749 -22.0500
6 O2x O 24.6624 -21.3500
7 C1y C 18.4800 -18.9700
8 C1y C 18.4800 -20.3700
9 C1y C 19.6924 -21.0700
10 C1y C 20.9049 -20.3700
11 C1y C 20.9049 -18.9700
12 O2x O 19.6924 -18.2700
13 C1b C 17.2676 -18.2700
14 O1a O 16.0721 -18.9604
15 O1a O 17.2676 -21.0700
16 O1a O 19.6924 -22.4698
17 O2a O 22.1360 -21.0810
18 O1a O 22.2376 -24.1500
19 O1a O 24.6624 -25.5498
20 O1a O 27.1060 -24.1610
21 C8y C 22.0500 -16.4500
22 C8y C 22.0500 -17.8500
23 C8y C 23.2624 -18.5500
24 C8y C 24.4749 -17.8500
25 C8y C 24.4749 -16.4500
26 C8x C 23.2624 -15.7500
27 C8y C 25.6873 -18.5500
28 C8x C 26.8997 -17.8500
29 C8y C 26.8997 -16.4500
30 O2x O 25.6873 -15.7500
31 O5x O 25.6873 -19.9500
32 O1a O 23.2624 -19.9498
33 O1a O 20.8376 -15.7500
34 C8y C 28.0973 -15.7585
35 C8x C 29.2856 -16.4445
36 C8x C 30.4980 -15.7445
37 C8y C 30.4980 -14.3445
38 C8x C 29.3097 -13.6585
39 C8x C 28.0973 -14.3585
40 O1a O 31.7244 -13.6363
BOND 44
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 1
13 7 13 1 #Up
14 13 14 1
15 8 15 1 #Down
16 9 16 1 #Up
17 10 17 1 #Down
18 1 17 1 #Down
19 2 18 1 #Up
20 3 19 1 #Down
21 4 20 1 #Down
22 21 22 2
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 21 26 1
28 24 27 1
29 27 28 1
30 28 29 2
31 29 30 1
32 25 30 1
33 27 31 2
34 23 32 1
35 21 33 1
36 29 34 1
37 34 35 2
38 35 36 1
39 36 37 2
40 37 38 1
41 38 39 2
42 34 39 1
43 37 40 1
44 11 22 1 #Up
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