ATOM 45
1 C8y C 26.7504 -13.1727
2 C8y C 26.7445 -14.4380
3 C1y C 25.6598 -12.5305
4 C8x C 27.8352 -12.5364
5 C8y C 27.8352 -15.0615
6 C1x C 25.6364 -15.0615
7 C1x C 23.4153 -12.5252
8 N1y N 24.5877 -13.1727
9 C8y C 28.9377 -13.1727
10 O2x O 26.5931 -18.0586
11 C8y C 28.9377 -14.4380
12 C1x C 24.5587 -14.4263
13 C8y C 23.4679 -16.3036
14 C1a C 22.3305 -13.6039
15 O2a O 30.0283 -12.5364
16 C8y C 27.6896 -18.7006
17 O1a O 30.0283 -15.0615
18 C8x C 24.5644 -16.9387
19 C8x C 22.3713 -16.9328
20 C1a C 31.3861 -13.1669
21 C8x C 27.7479 -19.9661
22 C8y C 28.7512 -18.0062
23 C8x C 24.5644 -18.2042
24 C8x C 22.3654 -18.1985
25 C8y C 28.8851 -20.5313
26 C8x C 29.8698 -18.5840
27 O2a O 28.7571 -16.7465
28 C8y C 23.4620 -18.8287
29 C1y C 28.8794 -21.7851
30 C8y C 29.9350 -19.8438
31 C1a C 30.0220 -16.1414
32 O2x O 23.5320 -19.7151
33 C1x C 27.8819 -22.4785
34 N1y N 30.0748 -22.3560
35 C1x C 31.0537 -20.4030
36 C8y C 25.6364 -20.0418
37 C8y C 26.7620 -21.9074
38 C1x C 31.1061 -21.6570
39 C1a C 30.0631 -23.5982
40 C8y C 24.5644 -20.6943
41 C8x C 26.7445 -20.6419
42 C8x C 25.6888 -22.5599
43 C8x C 24.5820 -21.9600
44 O2a O 23.2989 -20.6886
45 C1a C 22.3723 -22.0560
BOND 51
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 10 16 1
16 11 17 1
17 13 18 1
18 13 19 2
19 15 20 1
20 16 21 2
21 16 22 1
22 18 23 2
23 19 24 1
24 21 25 1
25 22 26 2
26 22 27 1
27 23 28 1
28 25 29 1
29 25 30 2
30 27 31 1
31 28 32 1
32 29 33 1
33 29 34 1
34 30 35 1
35 32 36 1
36 33 37 1
37 34 38 1
38 34 39 1
39 36 40 2
40 36 41 1
41 37 42 1
42 40 43 1
43 40 44 1
44 8 12 1
45 9 11 1
46 24 28 2
47 26 30 1
48 35 38 1
49 37 41 2
50 42 43 2
51 44 45 1
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