ATOM 40
1 C8y C 26.2737 -16.5493
2 C8y C 25.0472 -15.8467
3 C8y C 26.2737 -17.9419
4 C8y C 27.4999 -15.8531
5 C8y C 23.8272 -16.5557
6 C8y C 25.0472 -14.4414
7 C8y C 25.0663 -18.6317
8 C1z C 27.4746 -18.6380
9 C1y C 28.7457 -16.5557
10 C8y C 27.4936 -14.4287
11 C8y C 23.8272 -17.9419
12 C1z C 22.6264 -15.8467
13 C8y C 26.2672 -13.7261
14 C5x C 23.8272 -13.7451
15 C8y C 25.0728 -19.9411
16 O2x O 28.7392 -17.9354
17 C1x C 27.4681 -20.0241
18 O1a O 28.6690 -19.3278
19 C1y C 29.9784 -15.8404
20 C1y C 28.7136 -13.7005
21 C8y C 22.6201 -18.6380
22 O2x O 21.4192 -16.5365
23 C1x C 22.6264 -14.4414
24 O1a O 21.6363 -14.8566
25 O1a O 26.2609 -12.3336
26 O5x O 23.8272 -12.3527
27 C8y C 23.8017 -20.7204
28 C5x C 26.2033 -20.7651
29 O2x O 29.9591 -14.4031
30 C1a C 31.1919 -16.5237
31 C1a C 28.7008 -12.3144
32 C1y C 21.4127 -17.9226
33 C8y C 22.6073 -20.0113
34 O1a O 23.7889 -22.1064
35 O5x O 26.1842 -22.1512
36 C1y C 20.2120 -18.5996
37 C1y C 21.3936 -20.6949
38 O2x O 20.2375 -19.9923
39 C1a C 19.0174 -17.8907
40 C1a C 21.3808 -22.0808
BOND 48
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 1 #Up
16 8 17 1
17 8 18 1 #Down
18 9 19 1
19 10 20 1
20 11 21 1
21 12 22 1 #Up
22 12 23 1
23 12 24 1 #Down
24 13 25 1
25 14 26 2
26 15 27 2
27 15 28 1
28 19 29 1
29 19 30 1 #Down
30 20 31 1 #Up
31 21 32 1
32 21 33 2
33 27 34 1
34 28 35 2
35 32 36 1
36 33 37 1
37 36 38 1
38 36 39 1 #Down
39 37 40 1 #Up
40 7 11 1
41 9 16 1 #Up
42 10 13 1
43 14 23 1
44 17 28 1
45 20 29 1
46 32 22 1 #Up
47 27 33 1
48 37 38 1
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