ATOM 40
1 C8y C 20.0235 -18.0128
2 C8y C 18.7813 -18.5508
3 N4y N 20.1184 -16.6508
4 C8y C 21.3552 -18.5208
5 C8y C 17.5027 -18.0374
6 C8y C 21.4381 -16.3415
7 C8y C 22.1612 -17.4876
8 C1y C 16.2971 -18.6460
9 N5x N 17.2871 -16.6873
10 C8x C 21.9281 -15.1226
11 N4y N 17.1922 -13.7669
12 C1y C 15.3289 -17.7436
13 C8y C 15.9629 -16.4658
14 C8y C 21.4264 -13.8981
15 C8y C 17.3657 -12.4168
16 C8y C 15.8421 -14.0060
17 C8x C 15.4123 -15.2658
18 C8y C 22.0417 -12.6674
19 N5x N 20.0821 -13.6954
20 C8y C 16.1352 -11.8447
21 C8x C 18.5963 -11.7546
22 C8y C 15.1975 -12.8175
23 C8y C 21.0749 -11.7301
24 C8y C 19.8619 -12.3641
25 C2b C 16.1935 -10.3943
26 C1a C 13.8300 -12.8175
27 C1a C 21.0561 -10.3564
28 Z R# 23.3906 -12.4409
29 C5x C 20.8863 -19.8942
30 C1b C 16.2418 -19.9972
31 C1b C 15.0455 -20.6178
32 C6a C 14.9832 -21.9690
33 O6a O 13.7867 -22.5968
34 O6a O 16.1243 -22.6923
35 C1a C 13.8869 -17.8100
36 Z R# 23.4764 -17.5511
37 Z Mg 18.6139 -15.2133
38 C1x C 19.3749 -19.8692
39 O5x O 21.7127 -21.0759
40 C2a C 17.3268 -9.7556
BOND 46
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 18 28 1
18 1 2 2
19 4 29 1
20 1 3 1
21 8 30 1 #Up
22 1 4 1
23 30 31 1
24 2 5 1
25 31 32 1
26 3 6 1
27 32 33 1
28 4 7 2
29 32 34 2
30 5 8 1
31 12 35 1 #Down
32 5 9 2
33 7 36 1
34 6 10 2
35 11 37 1
36 3 37 1
37 8 12 1
38 2 38 1
39 38 29 1
40 9 13 1
41 29 39 2
42 10 14 1
43 11 15 1
44 11 16 1
45 13 17 2
46 25 40 2
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