ATOM 46
1 C8y C 28.1754 -17.1766
2 C8y C 29.3673 -17.8777
3 C1y C 26.9835 -17.8777
4 C8y C 28.1754 -15.8445
5 C8y C 30.5591 -17.1766
6 O2x O 27.9651 -21.1729
7 C1x C 26.9835 -19.2098
8 N1y N 25.8618 -17.1766
9 C8x C 29.3673 -15.1434
10 C1x C 27.0536 -15.1434
11 C8y C 30.5591 -15.8445
12 O2a O 31.7510 -17.8777
13 C8y C 29.2971 -21.8039
14 C8y C 25.7917 -19.9109
15 C1x C 25.8618 -15.8445
16 C1a C 24.6699 -17.8777
17 O2a O 31.7510 -15.1434
18 C1a C 32.8728 -17.1766
19 C8x C 29.2972 -23.1360
20 C8y C 30.3488 -21.0327
21 C8x C 25.7917 -21.2430
22 C8x C 24.6699 -19.2098
23 C1a C 32.8728 -15.8445
24 C8y C 30.5590 -23.7669
25 C8x C 31.6107 -21.6636
26 O2a O 30.3487 -19.7006
27 C8y C 24.6699 -21.9441
28 C8x C 23.4780 -19.9109
29 C8y C 31.6108 -23.0658
30 C1y C 30.5591 -25.1691
31 C1a C 31.4705 -18.9294
32 C8y C 23.4780 -21.2430
33 O2x O 24.6698 -23.2762
34 C1x C 32.8728 -23.6267
35 C1x C 29.4374 -25.8702
36 N1y N 31.7510 -25.7300
37 O2a O 22.2862 -21.9441
38 C8y C 25.8617 -23.9773
39 C1x C 32.8728 -25.0289
40 C8y C 28.1754 -25.2393
41 C1a C 31.8912 -27.1322
42 C1a C 22.2862 -23.2762
43 C8x C 26.9835 -23.2762
44 C8x C 25.8618 -25.3094
45 C8x C 28.1754 -23.9072
46 C8x C 27.0536 -25.9404
BOND 52
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 8 1
7 4 9 1
8 4 10 1
9 5 11 1
10 5 12 1
11 6 13 1
12 7 14 1
13 8 15 1
14 8 16 1
15 11 17 1
16 12 18 1
17 13 19 2
18 13 20 1
19 14 21 1
20 14 22 2
21 17 23 1
22 19 24 1
23 20 25 2
24 20 26 1
25 21 27 2
26 22 28 1
27 24 29 2
28 24 30 1
29 26 31 1
30 27 32 1
31 27 33 1
32 29 34 1
33 30 36 1
34 32 37 1
35 33 38 1
36 34 39 1
37 35 40 1
38 36 41 1
39 37 42 1
40 38 43 1
41 38 44 2
42 40 45 1
43 40 46 2
44 9 11 2
45 10 15 1
46 25 29 1
47 28 32 2
48 36 39 1
49 43 45 2
50 44 46 1
51 7 3 1
52 35 30 1
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