ATOM 40
1 C1y C 17.4715 -14.3267
2 C1y C 17.4715 -17.6113
3 C8y C 18.6596 -13.6977
4 C8y C 16.2835 -13.6977
5 C8y C 18.6596 -18.3102
6 C8y C 16.2835 -18.3102
7 C8y C 18.6596 -12.3000
8 C8x C 19.8477 -14.3966
9 C8y C 16.2835 -12.3000
10 C8x C 15.0954 -14.3267
11 C8y C 18.6596 -19.7079
12 C8x C 19.8477 -17.6113
13 C8y C 16.2835 -19.7079
14 C8x C 15.0954 -17.6113
15 C5x C 17.4715 -11.6011
16 C8y C 19.8477 -11.6710
17 C8y C 21.1056 -13.6977
18 C8y C 15.0954 -11.6011
19 C8x C 13.9074 -13.6977
20 C5x C 17.4715 -20.4067
21 C8y C 19.8477 -20.4067
22 C8y C 21.0357 -18.3102
23 C8y C 15.0954 -20.3369
24 C8x C 13.9074 -18.3102
25 O5x O 17.4715 -10.2733
26 C8x C 21.0357 -12.3000
27 O1a O 19.8477 -10.2733
28 C6a C 22.2238 -14.3966
29 O1a O 15.0954 -10.2733
30 C8x C 13.9074 -12.3000
31 O5x O 17.4715 -21.7346
32 C8x C 21.0357 -19.7079
33 O1a O 19.7778 -21.7346
34 C6a C 22.2238 -17.6812
35 O1a O 15.0954 -21.7346
36 C8x C 13.9074 -19.7079
37 O6a O 23.3419 -13.6977
38 O6a O 22.2238 -15.5147
39 O6a O 23.4118 -18.3102
40 O6a O 22.2238 -16.4931
BOND 45
1 1 2 1
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 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 7 16 1
16 8 17 2
17 9 18 1
18 10 19 2
19 11 20 1
20 11 21 1
21 12 22 2
22 13 23 1
23 14 24 2
24 15 25 2
25 16 26 2
26 16 27 1
27 17 28 1
28 18 29 1
29 18 30 2
30 20 31 2
31 21 32 2
32 21 33 1
33 22 34 1
34 23 35 1
35 23 36 2
36 28 37 1
37 28 38 2
38 34 39 1
39 34 40 2
40 9 15 1
41 13 20 1
42 17 26 1
43 19 30 1
44 22 32 1
45 24 36 1
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