ATOM 49
1 C8y C 18.3892 -13.0568
2 C5x C 17.1965 -12.4254
3 C8x C 19.6521 -12.6359
4 N5x N 18.1787 -14.4600
5 C1z C 16.2142 -13.4076
6 C8y C 20.9150 -13.1270
7 C8y C 16.8457 -14.6705
8 C1b C 14.4602 -13.8988
9 C1a C 15.7231 -12.1447
10 C1z C 22.0376 -12.4254
11 N4y N 21.1956 -14.4600
12 C8x C 16.2142 -15.9334
13 C6a C 13.6183 -12.9165
14 C5x C 23.0900 -13.3375
15 C1b C 22.0376 -11.0222
16 C1a C 20.7747 -11.6536
17 C8y C 22.5287 -14.6004
18 C8y C 16.8457 -17.1261
19 O5x O 24.4230 -13.3375
20 C6a C 23.2303 -10.3907
21 C8x C 23.0198 -15.8633
22 C8y C 16.2142 -18.3890
23 N4y N 18.1787 -17.3366
24 O6a O 23.2303 -8.9875
25 O6a O 24.4230 -11.0222
26 C8y C 22.5287 -17.1261
27 C8y C 17.1965 -19.3011
28 C1a C 14.8812 -18.5995
29 C8y C 18.3892 -18.7398
30 C8y C 23.0900 -18.3890
31 N5x N 21.1255 -17.3366
32 C2b C 17.1965 -20.7043
33 C8x C 19.6521 -19.1608
34 C8y C 22.1077 -19.3011
35 C8y C 20.9150 -18.6697
36 C2b C 16.0037 -21.4060
37 C1b C 22.2480 -20.6342
38 C6a C 16.0037 -22.7390
39 C1b C 23.4408 -21.2656
40 O6a O 14.8110 -23.4406
41 O6a O 17.1263 -23.4406
42 C6a C 23.5811 -22.5987
43 O6a O 22.4585 -23.3705
44 O6a O 24.8440 -23.1600
45 Z Fe 19.5819 -15.9334
46 O6a O 14.0392 -11.6536
47 O6a O 12.3554 -13.1270
48 C1a C 24.4932 -18.6697
49 O5x O 17.1965 -11.0222
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 2
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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