ATOM 46
1 C8y C 18.5340 -17.9643
2 C8y C 19.7692 -18.5819
3 C8x C 17.3675 -18.4447
4 N4y N 18.8084 -16.5920
5 C8y C 20.7298 -17.6899
6 C1b C 19.7692 -19.9542
7 C8y C 16.1323 -17.9643
8 C8y C 20.1122 -16.4547
9 C1a C 22.0335 -17.6899
10 C1b C 20.9356 -20.5719
11 C8y C 14.8972 -18.6506
12 N5x N 15.9265 -16.6606
13 C8x C 20.6612 -15.2196
14 C6a C 20.8671 -21.9443
15 C8y C 13.9365 -17.6899
16 C1b C 14.8972 -19.9542
17 C8y C 14.5542 -16.4547
18 C8y C 20.1808 -13.9158
19 O6a O 22.0335 -22.6304
20 O6a O 19.7006 -22.6304
21 C1a C 12.6327 -17.6899
22 C1b C 16.1323 -20.6405
23 C8x C 13.9365 -15.2196
24 C8y C 20.7298 -12.7493
25 N5x N 18.8084 -13.8472
26 C6a C 16.1323 -21.9443
27 C8y C 14.5542 -13.9844
28 C8y C 19.7006 -11.8572
29 C1b C 22.0335 -12.6807
30 C8y C 18.5340 -12.4748
31 O6a O 17.2989 -22.6304
32 O6a O 14.9658 -22.6304
33 N4y N 15.9265 -13.7786
34 C8y C 13.9365 -12.7493
35 C1a C 19.7006 -10.4848
36 C1b C 22.7198 -11.5141
37 C8x C 17.3675 -11.9945
38 C8y C 16.1323 -12.4748
39 C8y C 14.8972 -11.8572
40 C1a C 12.6327 -12.7493
41 C6a C 24.0921 -11.5141
42 C2b C 14.8972 -10.4848
43 O6a O 24.7097 -10.3477
44 O6a O 24.7097 -12.6807
45 Z Fe 17.2302 -15.2882
46 C2a C 16.0859 -9.7986
BOND 51
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 1
11 7 12 2
12 8 13 2
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 1
17 13 18 1
18 14 19 1
19 14 20 2
20 15 21 1
21 16 22 1
22 17 23 2
23 18 24 1
24 18 25 2
25 22 26 1
26 23 27 1
27 24 28 2
28 24 29 1
29 25 30 1
30 26 31 1
31 26 32 2
32 27 33 1
33 27 34 2
34 28 35 1
35 29 36 1
36 30 37 2
37 33 38 1
38 34 39 1
39 34 40 1
40 36 41 1
41 39 42 1
42 41 43 1
43 41 44 2
44 5 8 1
45 15 17 1
46 28 30 1
47 37 38 1
48 38 39 2
49 33 45 1
50 45 4 1
51 42 46 2
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