ATOM 43
1 C8y C 20.0220 -18.0117
2 C8y C 18.7799 -18.5497
3 N4y N 20.1169 -16.6497
4 C8y C 21.3537 -18.5197
5 C8y C 17.5013 -18.0363
6 C8y C 21.4366 -16.3405
7 C8y C 22.1597 -17.4865
8 C1y C 16.2958 -18.6449
9 N5x N 17.2858 -16.6862
10 C8x C 21.9266 -15.1216
11 N4y N 17.1909 -13.7660
12 C1y C 15.3276 -17.7425
13 C8y C 15.9616 -16.4647
14 C8y C 21.4249 -13.8971
15 C8y C 17.3644 -12.4159
16 C8y C 15.8408 -14.0050
17 C8y C 15.4110 -15.2648
18 C8y C 22.0402 -12.6665
19 N5x N 20.0806 -13.6945
20 C8y C 16.1339 -11.8438
21 C8x C 18.5949 -11.7537
22 C8y C 15.1962 -12.8166
23 C8y C 21.0734 -11.7292
24 C8y C 19.8605 -12.3632
25 C1c C 16.1222 -10.4635
26 C1a C 13.8288 -12.8166
27 C4a C 21.0546 -10.3556
28 C1a C 17.2354 -9.7666
29 Z R# 23.3890 -12.4400
30 C5x C 20.8848 -19.8930
31 C1b C 16.2405 -19.9960
32 C1b C 15.0442 -20.6166
33 C6a C 14.9819 -21.9677
34 O6a O 13.7855 -22.5955
35 O6a O 16.1230 -22.6910
36 C1a C 13.8857 -17.8089
37 Z R# 23.4748 -17.5500
38 Z Mg 18.6125 -15.2123
39 C1x C 19.3735 -19.8680
40 O5x O 21.7112 -21.0747
41 O1a O 14.8112 -9.7614
42 C1a C 14.0111 -15.2648
43 O4a O 22.2670 -9.6556
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 2
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