ATOM 46
1 C8y C 36.3020 -27.6653
2 C8y C 35.0633 -28.2017
3 N4y N 36.3967 -26.3071
4 C8y C 37.6300 -28.1719
5 C8y C 33.7883 -27.6898
6 C8y C 37.7127 -25.9986
7 C8y C 38.4337 -27.1416
8 C1y C 32.5859 -28.2967
9 N5x N 33.5732 -26.3435
10 C8x C 38.2013 -24.7832
11 N4y N 33.4786 -23.4312
12 C1y C 31.6204 -27.3969
13 C8y C 32.2527 -26.1226
14 C8y C 37.7010 -23.5621
15 C8y C 33.6516 -22.0849
16 C8y C 32.1323 -23.6696
17 C8x C 31.7036 -24.9260
18 C8y C 38.3146 -22.3348
19 N5x N 36.3605 -23.3599
20 C8y C 32.4245 -21.5144
21 C8x C 34.8787 -21.4245
22 C8y C 31.4895 -22.4845
23 C8y C 37.3505 -21.4002
24 C8y C 36.1408 -22.0324
25 C1c C 32.4129 -20.1378
26 C1a C 30.1258 -22.4845
27 C1a C 37.3317 -20.0303
28 C1a C 33.5927 -19.4429
29 C1b C 39.6597 -22.1089
30 C1a C 40.5763 -23.2222
31 C5x C 37.1624 -29.5414
32 C1b C 32.5309 -29.6442
33 C1b C 31.3378 -30.2630
34 C6a C 31.2757 -31.6105
35 O6a O 30.0826 -32.2365
36 O6a O 32.4137 -32.3318
37 C1a C 30.1825 -27.4631
38 C1a C 39.7452 -27.2049
39 Z Mg 34.8963 -24.8736
40 C1y C 35.6552 -29.5165
41 O5x O 37.9865 -30.7199
42 C7a C 34.8677 -30.7197
43 O6a O 33.4307 -30.6398
44 O7a O 35.5171 -32.0098
45 C1a C 34.7223 -33.2127
46 O1a O 31.2019 -19.4525
BOND 52
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 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 40 42 1 #Down
46 11 15 1
47 42 43 2
48 11 16 1
49 42 44 1
50 13 17 2
51 44 45 1
52 25 46 1
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