ATOM 57
1 C8y C 37.1846 -26.5650
2 C8x C 35.9421 -27.1070
3 N4y N 37.2789 -25.2105
4 C8y C 38.5158 -27.0773
5 C8y C 34.6634 -26.5965
6 C8y C 38.5983 -24.8959
7 C8y C 39.3244 -26.0428
8 C8y C 33.4574 -27.2017
9 N5x N 34.4490 -25.2468
10 C8x C 39.0856 -23.6767
11 N4y N 34.3545 -22.3212
12 C8y C 32.4875 -26.2972
13 C8y C 33.1180 -25.0266
14 C8y C 38.5866 -22.4589
15 C8y C 34.5271 -20.9717
16 C8y C 33.0050 -22.5591
17 C8x C 32.5773 -23.8261
18 C8y C 39.1986 -21.2280
19 N5x N 37.2429 -22.2502
20 C8y C 33.2963 -20.3959
21 C8x C 35.7580 -20.3132
22 C8y C 32.3641 -21.3702
23 C8y C 38.2300 -20.2888
24 C8y C 37.0236 -20.9193
25 C1c C 33.2847 -19.0230
26 C1a C 30.9970 -21.3702
27 C1a C 38.2184 -18.9157
28 C1a C 34.4684 -18.3229
29 C1c C 40.5541 -21.0026
30 C1a C 41.4682 -22.1129
31 C1b C 38.4788 -28.5205
32 C1b C 39.7196 -29.2705
33 C6a C 39.6831 -30.7126
34 O6a O 40.9237 -31.4626
35 O6a O 38.4200 -31.4117
36 C1b C 33.4023 -28.5455
37 C1b C 32.2056 -29.1769
38 C6a C 32.1506 -30.5206
39 O6a O 30.9539 -31.1449
40 O6a O 33.2855 -31.2470
41 C1a C 31.0464 -26.3635
42 C1a C 40.6322 -26.1060
43 Z Fe 35.7754 -23.7671
44 S2a S 32.0789 -18.3419
45 C1b C 32.0652 -16.9332
46 C1c C 30.8256 -16.2332
47 N1a N 29.6375 -16.9344
48 C6a C 30.8122 -14.8346
49 O6a O 29.5682 -14.1317
50 O6a O 31.9918 -14.1382
51 S2a S 41.0512 -19.6756
52 C1b C 42.4428 -19.4439
53 C1c C 42.9336 -18.1345
54 C6a C 44.3310 -17.9020
55 N1a N 42.0449 -17.0545
56 O6a O 45.2316 -18.9967
57 O6a O 44.8210 -16.5951
BOND 62
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 1
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 44 45 1
51 46 45 1 #Down
52 46 47 1
53 46 48 1
54 48 49 1
55 48 50 2
56 29 51 1
57 51 52 1
58 53 52 1 #Down
59 53 54 1
60 53 55 1
61 54 56 2
62 54 57 1
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