ATOM 40
1 O2a O 27.8493 -18.7317
2 C1y C 27.0275 -20.3249
3 C1x C 27.0275 -21.6709
4 O2x O 25.8531 -19.6436
5 C1y C 25.8531 -22.3524
6 C1y C 24.6870 -20.3249
7 C1y C 24.6870 -21.6709
8 N1a N 25.8531 -23.6978
9 C1a C 23.5207 -19.6436
10 O1a O 23.5285 -22.3524
11 C1z C 29.3214 -14.8851
12 O1a O 30.4726 -15.6858
13 C1b C 30.4726 -14.2056
14 C8y C 25.7695 -14.1895
15 C8x C 19.8178 -14.8567
16 C8x C 21.0165 -14.1772
17 C8y C 22.2058 -14.8663
18 C5x C 23.3948 -14.1869
19 C8y C 24.5838 -14.8757
20 C8x C 19.8233 -16.3721
21 C8y C 26.9525 -14.8851
22 C1y C 28.1418 -14.1962
23 C8y C 21.0165 -17.0516
24 C8y C 22.1961 -16.3818
25 C5x C 23.3760 -17.0613
26 C8y C 24.5838 -16.3818
27 C8y C 25.7541 -17.0706
28 C8y C 26.9434 -16.3912
29 C1y C 28.1324 -17.0800
30 C1x C 29.3214 -16.4005
31 O1a O 21.0071 -18.4296
32 O5x O 23.3664 -18.4390
33 O1a O 25.7447 -18.4484
34 O5x O 23.3987 -12.8467
35 C7a C 28.1441 -12.8560
36 O6a O 26.9911 -12.1888
37 O7a O 29.2995 -12.1927
38 C1a C 29.3019 -10.8619
39 O1a O 25.7541 -12.8467
40 C1a C 31.6763 -14.8854
BOND 44
1 15 20 1
2 14 21 2
3 2 1 1 #Up
4 21 22 1
5 22 11 1
6 11 12 1 #Down
7 20 23 2
8 2 3 1
9 23 24 1
10 11 13 1 #Up
11 24 25 1
12 2 4 1
13 25 26 1
14 26 27 1
15 3 5 1
16 27 28 2
17 4 6 1
18 28 29 1
19 5 7 1
20 29 30 1
21 15 16 2
22 23 31 1
23 5 8 1 #Down
24 25 32 2
25 16 17 1
26 27 33 1
27 29 1 1 #Down
28 17 24 2
29 19 26 2
30 21 28 1
31 6 9 1 #Down
32 18 34 2
33 11 30 1
34 17 18 1
35 22 35 1 #Up
36 7 10 1 #Down
37 35 36 2
38 18 19 1
39 35 37 1
40 19 14 1
41 37 38 1
42 6 7 1
43 14 39 1
44 13 40 1
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