ATOM 45
1 C8y C 18.8807 -17.9932
2 C8y C 17.6398 -18.5307
3 N4y N 18.9756 -16.6324
4 C8y C 20.2112 -18.5008
5 C8y C 16.3622 -18.0177
6 C8y C 20.2941 -16.3235
7 C8y C 21.0165 -17.4685
8 C1y C 15.1577 -18.6258
9 N5x N 16.1468 -16.6689
10 C8x C 20.7836 -15.1056
11 N4y N 16.0521 -13.7512
12 C1y C 14.1904 -17.7242
13 C8y C 14.8238 -16.4477
14 C8y C 20.2824 -13.8822
15 C8y C 16.2253 -12.4023
16 C8y C 14.7032 -13.9900
17 C8x C 14.2738 -15.2487
18 C8y C 20.8971 -12.6528
19 N5x N 18.9393 -13.6797
20 C8y C 14.9960 -11.8308
21 C8x C 17.4548 -11.7407
22 C8y C 14.0592 -12.8026
23 C8y C 19.9313 -11.7163
24 C8y C 18.7193 -12.3497
25 C1c C 14.9844 -10.4516
26 C1a C 12.6930 -12.8026
27 C1a C 19.9125 -10.3438
28 C1a C 16.1664 -9.7554
29 C1b C 22.2447 -12.4264
30 C1c C 23.1630 -13.5418
31 C5x C 19.7427 -19.8729
32 C1b C 15.1025 -19.9757
33 C1b C 13.9072 -20.5959
34 C6a C 13.8451 -21.9458
35 O6a O 12.6497 -22.5730
36 O6a O 14.9852 -22.6684
37 C1a C 12.7498 -17.7906
38 C1b C 22.3304 -17.5320
39 Z Mg 17.4723 -15.1963
40 C1x C 18.2327 -19.8479
41 O5x O 20.5685 -21.0535
42 C1a C 22.9792 -18.7916
43 C1a C 24.5369 -13.3130
44 C1a C 22.6608 -14.8814
45 O1a O 13.7534 -9.7551
BOND 51
1 14 18 1
2 14 19 2
3 15 20 2
4 15 21 1
5 16 22 2
6 18 23 2
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 11 15 1
46 11 16 1
47 13 17 2
48 38 42 1
49 30 43 1
50 30 44 1
51 25 45 1
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