ATOM 46
1 C8y C 36.3062 -27.6685
2 C8y C 35.0674 -28.2050
3 N4y N 36.4010 -26.3102
4 C8y C 37.6344 -28.1752
5 C8y C 33.7922 -27.6930
6 C8y C 37.7171 -26.0016
7 C8y C 38.4382 -27.1448
8 C1y C 32.5897 -28.3000
9 N5x N 33.5771 -26.3466
10 C8x C 38.2058 -24.7861
11 N4y N 33.4825 -23.4339
12 C1y C 31.6241 -27.4001
13 C8y C 32.2565 -26.1257
14 C8y C 37.7054 -23.5649
15 C8y C 33.6555 -22.0875
16 C8y C 32.1361 -23.6724
17 C8x C 31.7073 -24.9289
18 C1y C 38.3191 -22.3374
19 N5x N 36.3647 -23.3626
20 C8y C 32.4283 -21.5169
21 C8x C 34.8828 -21.4270
22 C8y C 31.4932 -22.4871
23 C1y C 37.3549 -21.4027
24 C8y C 36.1450 -22.0350
25 C1c C 32.4167 -20.1402
26 C1a C 30.1293 -22.4871
27 C1a C 37.3361 -20.0326
28 C1a C 33.5966 -19.4452
29 C1b C 39.6643 -22.1115
30 C1a C 40.5810 -23.2249
31 C5x C 37.1667 -29.5449
32 C1b C 32.5347 -29.6477
33 C1b C 31.3415 -30.2665
34 C6a C 31.2794 -31.6142
35 O6a O 30.0861 -32.2403
36 O6a O 32.4175 -32.3356
37 C1a C 30.1860 -27.4663
38 C1a C 39.7498 -27.2081
39 Z Mg 34.9004 -24.8765
40 C1y C 35.6594 -29.5199
41 O5x O 37.9909 -30.7235
42 C7a C 34.8718 -30.7233
43 O6a O 33.4346 -30.6434
44 O7a O 35.5212 -32.0135
45 C1a C 34.7264 -33.2166
46 O1a O 31.2055 -19.4548
BOND 52
1 14 18 1
2 14 19 2
3 15 20 2
4 15 21 1
5 16 22 2
6 18 23 1
7 19 24 1
8 20 25 1
9 22 26 1
10 23 27 1
11 6 7 1
12 12 13 1
13 16 17 1
14 20 22 1
15 21 24 2
16 23 24 1
17 25 28 1
18 18 29 1
19 29 30 1
20 1 2 2
21 4 31 1
22 1 3 1
23 8 32 1 #Up
24 1 4 1
25 32 33 1
26 2 5 1
27 33 34 1
28 3 6 1
29 34 35 1
30 4 7 2
31 34 36 2
32 5 8 1
33 12 37 1 #Down
34 5 9 2
35 7 38 1
36 6 10 2
37 11 39 1
38 3 39 1
39 8 12 1
40 2 40 1
41 40 31 1
42 9 13 1
43 31 41 2
44 10 14 1
45 40 42 1 #Down
46 11 15 1
47 42 43 2
48 11 16 1
49 42 44 1
50 13 17 2
51 44 45 1
52 25 46 1
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