ATOM 54
1 C8y C 35.6454 -24.4544
2 C8x C 34.4132 -24.9336
3 N4y N 35.7823 -23.0854
4 C8y C 36.9459 -24.9336
5 C8y C 33.1811 -24.4544
6 C8y C 37.0145 -22.8116
7 C8y C 37.7674 -23.9069
8 C8y C 32.0174 -25.0705
9 N5x N 32.9757 -23.1539
10 C8x C 37.4936 -21.5794
11 N4y N 32.9073 -20.2789
12 C8y C 31.0591 -24.1806
13 C8y C 31.6752 -22.9485
14 C8y C 37.0145 -20.4158
15 C8y C 33.0442 -18.9783
16 C8y C 31.6067 -20.4842
17 C8x C 31.1275 -21.7164
18 C8y C 37.6305 -19.1837
19 N5x N 35.7138 -20.2105
20 C8y C 31.8805 -18.3622
21 C8x C 34.2763 -18.2937
22 C8y C 30.9222 -19.3205
23 C8y C 36.6722 -18.2937
24 C8y C 35.5084 -18.9098
25 C2b C 31.8120 -17.0616
26 C1a C 29.6216 -19.3205
27 C1a C 36.6722 -16.9248
28 C2a C 32.9757 -16.3771
29 C2b C 38.9311 -18.9783
30 C2a C 39.8209 -20.0735
31 C1b C 36.9459 -26.3026
32 C1b C 38.1097 -27.0556
33 C6a C 38.1097 -28.4931
34 O6a O 39.3418 -29.1776
35 O6a O 36.8775 -29.1776
36 C1b C 31.9490 -26.3711
37 C1b C 30.7852 -26.9872
38 C6a C 30.7168 -28.2878
39 O6a O 29.5531 -28.9038
40 O6a O 31.8805 -28.9723
41 C1a C 29.6900 -24.2491
42 C1a C 38.9995 -23.9753
43 Z Fe 34.2763 -21.7164
44 C1b C 41.7376 -21.9217
45 C1c C 42.9698 -21.2372
46 N1b N 44.1334 -21.9217
47 C5a C 42.9698 -19.8682
48 N1b N 44.2019 -19.1837
49 O5a O 41.8061 -19.1837
50 C5a C 44.1334 -23.2908
51 R R 44.2019 -17.8146
52 R R 45.2971 -23.9753
53 O5a O 42.9013 -23.9753
54 S2a S 38.6355 -20.8829
BOND 59
1 11 16 1
2 13 17 2
3 14 18 1
4 14 19 2
5 15 20 2
6 15 21 1
7 16 22 2
8 18 23 2
9 19 24 1
10 20 25 1
11 22 26 1
12 23 27 1
13 6 7 1
14 12 13 1
15 16 17 1
16 20 22 1
17 21 24 2
18 23 24 1
19 25 28 2
20 18 29 1
21 29 30 2
22 1 2 2
23 4 31 1
24 1 3 1
25 31 32 1
26 1 4 1
27 32 33 1
28 2 5 1
29 33 34 2
30 3 6 1
31 33 35 1
32 4 7 2
33 8 36 1
34 5 8 1
35 36 37 1
36 5 9 2
37 37 38 1
38 6 10 2
39 38 39 1
40 8 12 2
41 38 40 2
42 9 13 1
43 12 41 1
44 10 14 1
45 7 42 1
46 11 15 1
47 11 43 1
48 3 43 1
49 45 44 1 #Up
50 45 46 1
51 45 47 1
52 47 48 1
53 47 49 2
54 46 50 1
55 48 51 1
56 50 52 1
57 50 53 2
58 44 54 1
59 43 54 1
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