ATOM 44
1 C8y C 20.0443 -18.0119
2 C8y C 18.7827 -18.5725
3 N4y N 20.1144 -16.6802
4 C8y C 21.3759 -18.5725
5 C8y C 17.5213 -18.0819
6 C8y C 21.4459 -16.3297
7 C8y C 22.2169 -17.5213
8 C1y C 16.3297 -18.6426
9 N5x N 17.3109 -16.6802
10 C8x C 21.9365 -15.1383
11 N4y N 17.2409 -13.8067
12 C1y C 15.3486 -17.7315
13 C8y C 15.9794 -16.4700
14 C8y C 21.4459 -13.9469
15 C8y C 17.3810 -12.4051
16 C8y C 15.8392 -14.0170
17 C8y C 15.4187 -15.2785
18 C8y C 22.0768 -12.6854
19 N5x N 20.1144 -13.7366
20 C8y C 16.1195 -11.8443
21 C8x C 18.6426 -11.7742
22 C8y C 15.2084 -12.8255
23 C8y C 21.0956 -11.7742
24 C8y C 19.9041 -12.4051
25 C1c C 16.1196 -10.4427
26 C1a C 13.8768 -12.8255
27 C1c C 21.0956 -10.3726
28 C1a C 17.2409 -9.8118
29 Z R# 23.4083 -12.4751
30 C5x C 20.8853 -19.9041
31 C1b C 16.2597 -20.0443
32 C1b C 15.0683 -20.6751
33 C6a C 15.0682 -22.0067
34 O6a O 13.8067 -22.6374
35 O6a O 16.1195 -22.7075
36 C1a C 13.8768 -17.8015
37 Z R# 23.4784 -17.5913
38 Z Mg 18.6426 -15.2084
39 C1x C 19.4135 -19.9041
40 O5x O 21.7263 -21.0956
41 O1a O 14.8581 -9.7418
42 C1a C 14.0170 -15.2785
43 O1a O 22.2965 -9.6789
44 O1a O 19.9985 -9.5884
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 1
18 18 29 1
19 1 2 2
20 4 30 1
21 1 3 1
22 8 31 1 #Up
23 1 4 1
24 31 32 1
25 2 5 1
26 32 33 1
27 3 6 1
28 33 34 1
29 4 7 2
30 33 35 2
31 5 8 1
32 12 36 1 #Down
33 5 9 2
34 7 37 1
35 6 10 2
36 11 38 1
37 3 38 1
38 8 12 1
39 2 39 1
40 39 30 1
41 9 13 1
42 30 40 2
43 10 14 1
44 11 15 1
45 11 16 1
46 13 17 2
47 25 41 1
48 17 42 1
49 27 43 1
50 27 44 1
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