ATOM 43
1 C8y C 20.0403 -18.0083
2 C8y C 18.7790 -18.5688
3 N4y N 20.1104 -16.6769
4 C8y C 21.3717 -18.5688
5 C8y C 17.5178 -18.0783
6 C8y C 21.4417 -16.3265
7 C8y C 22.2125 -17.5178
8 C1y C 16.3265 -18.6389
9 N5x N 17.3075 -16.6769
10 C8x C 21.9322 -15.1353
11 N4y N 17.2375 -13.8040
12 C1y C 15.3456 -17.7280
13 C8y C 15.9762 -16.4667
14 C8y C 21.4417 -13.9441
15 C8y C 17.3776 -12.4026
16 C8y C 15.8361 -14.0142
17 C8y C 15.4156 -15.2755
18 C8y C 22.0724 -12.6829
19 N5x N 20.1104 -13.7339
20 C8y C 16.1163 -11.8420
21 C8x C 18.6389 -11.7719
22 C8y C 15.2054 -12.8230
23 C8y C 21.0914 -11.7719
24 C8y C 19.9002 -12.4026
25 C1c C 16.1864 -10.4406
26 C1a C 13.8741 -12.8230
27 C1b C 21.0914 -10.3705
28 C1a C 17.3075 -9.8099
29 Z R# 23.4037 -12.4726
30 C5x C 20.8812 -19.9002
31 C1b C 16.2565 -20.0403
32 C1b C 15.0653 -20.6710
33 C6a C 14.9952 -22.0023
34 O6a O 13.8040 -22.6329
35 O6a O 16.1163 -22.7030
36 C1a C 13.8741 -17.7980
37 Z R# 23.4738 -17.5878
38 Z Mg 18.6389 -15.2054
39 C1x C 19.4097 -19.9002
40 O5x O 21.7220 -21.0914
41 O1a O 14.9251 -9.7399
42 C1a C 14.0142 -15.2755
43 O1a O 22.2921 -9.6770
BOND 49
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
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