ATOM 59
1 C8y C 27.7565 -31.4744
2 C8x C 26.5133 -32.0167
3 N4y N 27.7809 -30.1191
4 C8y C 29.0883 -31.9870
5 C8y C 25.2339 -31.5060
6 C8y C 29.1708 -29.8043
7 C8y C 29.8973 -30.9520
8 C8y C 24.0273 -32.1115
9 N5x N 25.0194 -30.1554
10 C8x C 29.6584 -28.5845
11 N4y N 24.9249 -27.2283
12 C8y C 23.0568 -31.2065
13 C8y C 23.6877 -29.9351
14 C8y C 29.1591 -27.3660
15 C8y C 25.0976 -25.8780
16 C8y C 23.5746 -27.4663
17 C8x C 23.1467 -28.7340
18 C8y C 29.7714 -26.1345
19 N5x N 27.8148 -27.1572
20 C8y C 23.8661 -25.3019
21 C8x C 26.3291 -25.2191
22 C8y C 22.9334 -26.2767
23 C8y C 28.8023 -25.1947
24 C8y C 27.5954 -25.8256
25 C1c C 23.8545 -23.9283
26 C1a C 21.5655 -26.2767
27 C1a C 28.7907 -23.8209
28 C1b C 25.0388 -23.2278
29 C2b C 31.1277 -26.1189
30 C2a C 32.0423 -27.2298
31 C1b C 29.1212 -33.4310
32 C1b C 30.2927 -34.1813
33 C6a C 30.3262 -35.6241
34 O6a O 31.4975 -36.3746
35 O6a O 28.9925 -36.3236
36 C1b C 24.0422 -33.4560
37 C1b C 22.7748 -34.0876
38 C6a C 22.7198 -35.4321
39 O6a O 21.5224 -36.0566
40 O6a O 23.8553 -36.1588
41 C1a C 21.6150 -31.2028
42 C1a C 31.2058 -30.9452
43 Z Fe 26.3465 -28.6749
44 O1a O 22.6479 -23.2469
45 C1b C 25.0576 -21.8367
46 C2b C 26.2705 -21.1384
47 C2c C 26.2722 -19.7386
48 C1b C 27.4853 -19.0401
49 C1b C 27.4870 -17.6404
50 C2b C 28.6999 -16.9420
51 C2c C 28.7016 -15.5423
52 C1b C 29.9147 -14.8439
53 C1b C 29.9164 -13.4442
54 C2b C 31.1294 -12.7458
55 C1a C 25.0405 -19.0251
56 C1a C 27.4835 -14.8371
57 C2c C 31.1311 -11.3388
58 C1a C 32.3543 -10.6344
59 C1a C 29.9299 -10.6434
BOND 64
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 1
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 25 44 1
50 28 45 1
51 45 46 1
52 46 47 2
53 47 48 1
54 48 49 1
55 49 50 1
56 50 51 2
57 51 52 1
58 52 53 1
59 53 54 1
60 47 55 1
61 51 56 1
62 54 57 2
63 57 58 1
64 57 59 1
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