ATOM 49
1 C8y C 20.2864 -16.5095
2 C5x C 19.0793 -15.8658
3 C8x C 21.5425 -16.0456
4 N5x N 20.0730 -17.8508
5 C1z C 18.0927 -16.8303
6 C8y C 22.7556 -16.5561
7 C8y C 18.7199 -18.0667
8 C1b C 16.3275 -17.3037
9 C1a C 17.5748 -15.5567
10 C1z C 23.9277 -15.8600
11 N4y N 23.0460 -17.8917
12 C8x C 18.0635 -19.3206
13 C6a C 15.4845 -16.3245
14 C5x C 24.9565 -16.7720
15 C1b C 23.9220 -14.4779
16 C1a C 22.6157 -15.0731
17 C8y C 24.4048 -18.0199
18 C8y C 18.7199 -20.5684
19 O5x O 26.3211 -16.7663
20 C6a C 25.1139 -13.7922
21 C8x C 24.9156 -19.2856
22 C8y C 18.0927 -21.8000
23 N4y N 20.0672 -20.7724
24 O6a O 25.1139 -12.4333
25 O6a O 26.2978 -14.4720
26 C8y C 24.3698 -20.5450
27 C8y C 19.0735 -22.7471
28 C1a C 16.7513 -22.0205
29 C8y C 20.2807 -22.1256
30 C8y C 24.9623 -21.7944
31 N5x N 23.0168 -20.7375
32 C1b C 19.0619 -24.1176
33 C8x C 21.5425 -22.5895
34 C8y C 23.9627 -22.7239
35 C8y C 22.7672 -22.0788
36 C1b C 17.8665 -24.8022
37 C1b C 24.0968 -24.0827
38 C6a C 17.8608 -26.1786
39 C1b C 25.3446 -24.6518
40 O6a O 16.6815 -26.8527
41 O6a O 19.0325 -26.8642
42 C6a C 25.4731 -26.0166
43 O6a O 24.3524 -26.8002
44 O6a O 26.7269 -26.5798
45 Z Fe 21.4606 -19.3796
46 O6a O 15.9134 -15.1091
47 O6a O 14.2190 -16.5678
48 C1a C 26.3648 -22.0638
49 O5x O 19.0793 -14.4658
BOND 54
1 1 3 1
2 1 4 2
3 2 5 1
4 3 6 2
5 4 7 1
6 5 8 1 #Up
7 5 9 1 #Down
8 6 10 1
9 6 11 1
10 7 12 2
11 8 13 1
12 10 14 1
13 10 15 1 #Up
14 10 16 1 #Down
15 11 17 1
16 12 18 1
17 14 19 2
18 15 20 1
19 17 21 2
20 18 22 2
21 18 23 1
22 20 24 1
23 20 25 2
24 21 26 1
25 22 27 1
26 22 28 1
27 23 29 1
28 26 30 1
29 26 31 2
30 27 32 1
31 29 33 1
32 30 34 2
33 31 35 1
34 32 36 1
35 34 37 1
36 36 38 1
37 37 39 1
38 38 40 1
39 38 41 2
40 39 42 1
41 42 43 1
42 42 44 2
43 5 7 1
44 14 17 1
45 27 29 2
46 33 35 2
47 34 35 1
48 11 45 1
49 23 45 1
50 13 46 2
51 1 2 1
52 13 47 1
53 30 48 1
54 2 49 2
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