ATOM 44
1 C8y C 18.8891 -18.0012
2 C8y C 17.6476 -18.5389
3 N4y N 18.9840 -16.6398
4 C8y C 20.2202 -18.5090
5 C8y C 16.3695 -18.0257
6 C8y C 20.3031 -16.3307
7 C8y C 21.0258 -17.4763
8 C1y C 15.1644 -18.6341
9 N5x N 16.1540 -16.6763
10 C8x C 20.7928 -15.1123
11 N4y N 16.0592 -13.7573
12 C1y C 14.1967 -17.7321
13 C8y C 14.8304 -16.4550
14 C8y C 20.2914 -13.8884
15 C8y C 16.2325 -12.4078
16 C8y C 14.7097 -13.9962
17 C8x C 14.2801 -15.2555
18 C8y C 20.9064 -12.6584
19 N5x N 18.9477 -13.6858
20 C8y C 15.0027 -11.8360
21 C8x C 17.4625 -11.7459
22 C8y C 14.0654 -12.8083
23 C8y C 19.9401 -11.7215
24 C8y C 18.7276 -12.3552
25 C2b C 14.9910 -10.4562
26 C1a C 12.6986 -12.8083
27 C1a C 19.9213 -10.3484
28 C2a C 16.1736 -9.7597
29 C1b C 22.2546 -12.4319
30 C1c C 23.1733 -13.5478
31 C5x C 19.7515 -19.8817
32 C1b C 15.1092 -19.9846
33 C1b C 13.9134 -20.6050
34 C6a C 13.8512 -21.9555
35 O6a O 12.6553 -22.5830
36 O6a O 14.9918 -22.6785
37 C1a C 12.7555 -17.7985
38 C1b C 22.3403 -17.5398
39 Z Mg 17.4801 -15.2030
40 C1x C 18.2408 -19.8567
41 O5x O 20.5776 -21.0628
42 C1a C 22.9894 -18.7999
43 C1a C 24.5478 -13.3189
44 C1a C 22.6709 -14.8880
BOND 50
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 2
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
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