ATOM 44
1 C8y C 18.5249 -25.5044
2 C8y C 18.5249 -26.9100
3 C8x C 19.7422 -27.6128
4 C8y C 20.9596 -26.9100
5 C8y C 20.9596 -25.5044
6 C8x C 19.7422 -24.8016
7 C8x C 22.1768 -27.6128
8 C8y C 23.3941 -26.9100
9 C8y C 23.3941 -25.5044
10 C8y C 22.1768 -24.8016
11 C8y C 22.1768 -23.3960
12 C8x C 23.3962 -22.6919
13 C8y C 23.3962 -21.2863
14 C8y C 22.1788 -20.5835
15 C8x C 20.9596 -21.2875
16 C8x C 20.9596 -22.6931
17 C5a C 24.5965 -24.8101
18 C5a C 24.5965 -27.6043
19 O1a O 22.1788 -19.1791
20 O1a O 24.5965 -20.5932
21 O1a O 17.3077 -24.8016
22 O1a O 17.3077 -27.6128
23 N1b N 25.7896 -25.4989
24 C1b C 26.9852 -24.8085
25 C1b C 28.1795 -25.4981
26 C8y C 29.3744 -24.8081
27 N1b N 25.7896 -26.9155
28 C1b C 26.9852 -27.6059
29 C1b C 28.1795 -26.9163
30 C8y C 29.3744 -27.6063
31 O5a O 24.5966 -23.3963
32 O5a O 24.5966 -29.0181
33 C8x C 30.5693 -25.4979
34 C8x C 31.7865 -24.7950
35 C8y C 31.7865 -23.3894
36 C8x C 30.5918 -22.6997
37 C8x C 29.3744 -23.4025
38 C8x C 29.3744 -29.0182
39 C8x C 30.5917 -29.7210
40 C8y C 31.8090 -29.0182
41 C8x C 31.8090 -27.6064
42 C8x C 30.5918 -26.9036
43 O1a O 33.0257 -29.7206
44 O1a O 33.0170 -22.6788
BOND 48
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 9 17 1
20 8 18 1
21 14 19 1
22 13 20 1
23 1 21 1
24 2 22 1
25 17 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 18 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 17 31 2
34 18 32 2
35 26 33 1
36 33 34 2
37 34 35 1
38 35 36 2
39 36 37 1
40 26 37 2
41 30 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 30 42 1
47 40 43 1
48 35 44 1
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