ATOM 54
1 C1y C 15.5239 -22.7606
2 C1y C 15.5073 -24.1682
3 O2x O 14.3115 -22.0396
4 C1y C 14.2783 -24.8547
5 O1a O 16.7089 -24.8819
6 C1x C 13.0884 -22.7362
7 C1y C 13.0791 -24.1329
8 O1a O 14.2588 -26.2571
9 O1a O 11.8531 -24.8245
10 C1y C 20.3795 -19.9518
11 C1y C 20.3841 -21.3573
12 O2x O 19.1627 -19.2558
13 C1y C 19.1746 -22.0616
14 O1a O 21.6038 -22.0482
15 C1y C 18.0154 -19.9625
16 C1y C 17.9577 -21.3656
17 O1a O 19.1769 -23.4591
18 C1a C 16.7285 -19.2665
19 O2a O 16.7404 -22.0724
20 C1z C 28.8763 -16.4841
21 C2y C 28.8997 -15.0882
22 C1z C 27.6731 -17.1790
23 C1y C 30.0854 -17.1967
24 C1a C 28.8646 -17.8799
25 C1y C 30.1145 -14.4107
26 C2x C 27.6964 -14.3873
27 C1y C 26.4699 -16.4724
28 C1x C 27.6731 -18.5808
29 C1a C 28.2214 -15.8415
30 C1x C 31.3002 -16.5132
31 O1a O 30.0737 -18.5984
32 C1z C 31.3178 -15.1173
33 C1x C 30.1321 -13.0147
34 C1x C 26.4816 -15.0706
35 C1z C 25.2492 -17.1674
36 C1x C 26.4583 -19.2760
37 C1y C 32.5385 -14.4398
38 C1b C 32.5209 -15.8182
39 C1z C 31.3527 -12.3314
40 C1y C 25.2435 -18.5691
41 C1x C 24.0402 -16.4666
42 C1a C 25.2375 -15.7657
43 C1y C 32.5559 -13.0497
44 O1a O 33.7357 -15.1348
45 O1a O 32.5151 -17.2200
46 C1a C 30.6460 -11.1107
47 C1a C 32.0478 -11.1107
48 C1z C 24.0402 -19.2700
49 C1x C 22.8195 -17.1674
50 O1a O 33.7533 -12.3314
51 C1y C 22.8195 -18.5691
52 C1a C 23.3106 -20.6251
53 C1a C 24.8106 -20.6251
54 O2a O 21.5987 -19.2643
BOND 60
1 13 17 1 #Down
2 15 18 1 #Down
3 16 19 1 #Up
4 15 16 1
5 6 7 1
6 1 2 1
7 1 3 1
8 2 4 1
9 2 5 1 #Down
10 3 6 1
11 4 7 1
12 4 8 1 #Up
13 7 9 1 #Up
14 10 11 1
15 10 12 1
16 11 13 1
17 11 14 1 #Down
18 12 15 1
19 13 16 1
20 20 21 1
21 20 22 1
22 20 23 1
23 20 24 1 #Down
24 21 25 1
25 21 26 2
26 22 27 1
27 22 28 1
28 22 29 1 #Up
29 23 30 1
30 23 31 1 #Down
31 25 32 1
32 25 33 1
33 26 34 1
34 27 35 1
35 28 36 1
36 32 37 1
37 32 38 1 #Up
38 33 39 1
39 35 40 1
40 35 41 1
41 35 42 1 #Up
42 37 43 1
43 37 44 1 #Down
44 38 45 1
45 39 46 1
46 39 47 1
47 40 48 1
48 41 49 1
49 43 50 1 #Up
50 48 51 1
51 48 52 1
52 48 53 1
53 51 54 1 #Up
54 27 34 1
55 30 32 1
56 36 40 1
57 39 43 1
58 49 51 1
59 10 54 1 #Up
60 1 19 1 #Up
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