ATOM 47
1 C8y C 28.0210 -23.2638
2 C8y C 27.9932 -24.6263
3 C8x C 29.0525 -25.3922
4 C8x C 30.3493 -24.7955
5 C8x C 30.3769 -23.3630
6 C8x C 29.2548 -22.6671
7 C1y C 22.5073 -17.6738
8 N1y N 21.6908 -18.7899
9 C1y C 24.6115 -16.5262
10 C1x C 23.9478 -15.2432
11 C1z C 21.6952 -16.5526
12 C1y C 22.5619 -15.2832
13 N1y N 21.6594 -14.2320
14 C1x C 20.3865 -14.7631
15 C1x C 20.4933 -16.1395
16 C1y C 25.3077 -15.3330
17 C1x C 22.8614 -13.5607
18 C1y C 22.4807 -20.0392
19 O2x O 23.8487 -20.0546
20 C1x C 24.5460 -18.8795
21 C1y C 23.8753 -17.6192
22 C1c C 21.7654 -21.2258
23 C1y C 22.4358 -22.4269
24 C2y C 21.7243 -23.6147
25 C1x C 22.3993 -24.8155
26 C1x C 23.8131 -22.3779
27 C1y C 24.4833 -23.6562
28 N1y N 23.7741 -24.8260
29 C1x C 24.4340 -26.0241
30 C1x C 25.8031 -26.0528
31 C7a C 20.3781 -21.2064
32 O7a O 19.6705 -22.2496
33 C1a C 18.2893 -22.2340
34 C8y C 20.3745 -18.3657
35 C8y C 20.3769 -16.9820
36 C8x C 19.1742 -16.2879
37 C8x C 17.9835 -16.9779
38 C8x C 17.9812 -18.3618
39 C8x C 19.1696 -19.0558
40 C8y C 25.8533 -23.6883
41 C8y C 26.5137 -24.8798
42 N4x N 26.7865 -22.6878
43 O6a O 19.6982 -20.0024
44 C1b C 26.5007 -16.0180
45 C1a C 26.5637 -17.4024
46 C2b C 20.4952 -24.2756
47 C1a C 19.3057 -23.5399
BOND 56
1 23 24 1
2 24 25 1
3 25 28 1
4 27 26 1
5 26 23 1
6 1 2 2
7 2 3 1
8 11 12 1
9 27 28 1
10 28 29 1
11 29 30 1
12 30 41 1
13 40 27 1
14 12 13 1
15 22 31 1 #Up
16 13 14 1
17 31 32 1
18 14 15 1
19 32 33 1
20 7 11 1
21 9 16 1
22 11 35 1
23 13 17 1
24 17 16 1
25 34 8 1
26 8 7 1
27 34 35 2
28 35 36 1
29 36 37 2
30 37 38 1
31 38 39 2
32 39 34 1
33 3 4 2
34 4 5 1
35 8 18 1
36 40 41 2
37 41 2 1
38 1 42 1
39 42 40 1
40 18 19 1
41 31 43 2
42 19 20 1
43 16 44 1 #Up
44 20 21 1
45 44 45 1
46 21 7 1
47 21 9 1
48 18 22 1
49 9 10 1
50 22 23 1
51 10 12 1
52 5 6 2
53 24 46 2
54 6 1 1
55 46 47 1
56 11 15 1 #Up
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