ATOM 50
1 C8x C 15.1385 -18.4416
2 C8x C 15.1385 -19.8213
3 C8x C 16.3344 -20.5110
4 C8x C 17.5301 -19.8213
5 C8y C 17.5301 -18.4416
6 C8x C 16.3344 -17.7519
7 C1b C 35.0003 -15.6542
8 C1b C 36.1931 -14.9645
9 O2a O 33.5328 -14.8869
10 C8y C 37.3860 -15.6542
11 C8x C 37.3787 -17.0261
12 C8x C 38.5786 -17.7159
13 C8y C 39.7715 -17.0261
14 C8x C 39.7715 -15.6464
15 C8x C 38.5786 -14.9567
16 O1a O 40.9645 -17.7159
17 C1y C 29.9463 -15.5768
18 C1y C 29.9463 -16.9564
19 C1y C 31.1422 -17.6463
20 C1y C 32.3379 -16.9564
21 C1y C 32.3379 -15.5768
22 O2x O 31.1422 -14.8869
23 C1b C 28.7538 -14.8864
24 O1a O 28.7538 -17.6468
25 O1a O 31.1439 -19.0258
26 O1a O 33.5312 -17.6453
27 C1x C 21.1758 -20.7573
28 C1y C 21.1758 -22.1370
29 C1y C 22.3717 -22.8268
30 C1y C 23.5605 -22.1370
31 C1y C 23.5605 -20.7573
32 O2x O 22.3717 -20.0676
33 O2a O 24.9579 -19.9348
34 O1a O 24.7538 -22.8259
35 O1a O 22.3734 -24.2064
36 O1a O 19.9762 -22.8274
37 C1y C 23.7592 -16.4849
38 C1y C 23.7592 -17.8644
39 C1y C 24.9550 -18.5543
40 C1y C 26.1436 -17.8644
41 C1y C 26.1436 -16.4849
42 O2x O 24.9550 -15.7949
43 C1a C 22.5667 -15.7944
44 O7a O 22.5102 -18.5759
45 C2b C 19.9159 -18.4416
46 C7a C 21.1159 -17.7519
47 O6a O 21.1159 -16.3722
48 O2a O 27.4639 -15.6551
49 C2b C 18.7231 -17.7519
50 O1a O 27.3441 -18.5533
BOND 54
1 19 25 1 #Up
2 10 11 2
3 20 26 1 #Down
4 21 9 1 #Up
5 11 12 1
6 12 13 2
7 13 14 1
8 14 15 2
9 15 10 1
10 7 8 1
11 27 28 1
12 28 29 1
13 29 30 1
14 30 31 1
15 31 32 1
16 32 27 1
17 13 16 1
18 31 33 1 #Up
19 2 3 2
20 30 34 1 #Down
21 7 9 1
22 29 35 1 #Up
23 3 4 1
24 28 36 1 #Down
25 8 10 1
26 4 5 2
27 5 6 1
28 17 18 1
29 18 19 1
30 19 20 1
31 37 38 1
32 38 39 1
33 39 40 1
34 40 41 1
35 41 42 1
36 42 37 1
37 20 21 1
38 37 43 1 #Down
39 21 22 1
40 38 44 1 #Up
41 22 17 1
42 6 1 2
43 45 46 1
44 46 44 1
45 17 23 1 #Up
46 46 47 2
47 39 33 1 #Down
48 41 48 1 #Up
49 48 23 1
50 18 24 1 #Down
51 45 49 2
52 49 5 1
53 1 2 1
54 40 50 1 #Down
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