ATOM 40
1 C8y C 28.0498 -34.5975
2 C8y C 28.0561 -33.1969
3 C8y C 26.8466 -35.2949
4 C8y C 29.2531 -35.3010
5 O2x O 29.2654 -32.5058
6 C8x C 26.8466 -32.4995
7 C8y C 25.6371 -34.5975
8 O1a O 26.8527 -36.6894
9 C8x C 30.4626 -34.6038
10 O5x O 29.2470 -36.6955
11 C8y C 30.4687 -33.2092
12 C8y C 25.6371 -33.1969
13 O2a O 24.4277 -35.3010
14 C8y C 31.6843 -32.5181
15 O1a O 24.4277 -32.4995
16 C8y C 23.0208 -36.0477
17 C8x C 32.8877 -33.2216
18 C8x C 31.6843 -31.1234
19 C8x C 23.0146 -37.4423
20 C8x C 21.8174 -35.3443
21 C8x C 34.0971 -32.5305
22 C8x C 32.8938 -30.4323
23 C8x C 21.8052 -38.1395
24 C8x C 20.6018 -36.0354
25 C8y C 34.1033 -31.1358
26 C8y C 20.6018 -37.4299
27 O1a O 35.3127 -30.4447
28 C8y C 19.3862 -38.1210
29 O2x O 18.1829 -37.4176
30 C8x C 19.3862 -39.5218
31 C8y C 16.9736 -38.1148
32 C8y C 18.1706 -40.2129
33 C8y C 16.9673 -39.5095
34 C8x C 15.7641 -37.4176
35 O5x O 18.2345 -41.6075
36 C8y C 15.7641 -40.2067
37 C8y C 14.5546 -38.1148
38 C8x C 14.5546 -39.5095
39 O1a O 15.7702 -41.6012
40 O1a O 13.3452 -37.4113
BOND 45
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 1
11 6 12 2
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 14 17 2
17 14 18 1
18 16 19 2
19 16 20 1
20 17 21 1
21 18 22 2
22 19 23 1
23 20 24 2
24 21 25 2
25 23 26 2
26 25 27 1
27 26 28 1
28 28 29 1
29 28 30 2
30 29 31 1
31 30 32 1
32 31 33 2
33 31 34 1
34 32 35 2
35 33 36 1
36 34 37 2
37 36 38 2
38 36 39 1
39 37 40 1
40 7 12 1
41 9 11 2
42 22 25 1
43 24 26 1
44 32 33 1
45 37 38 1
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